==== 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 PRENYLTRANSFERASE 30-JUN-94 1FPS . COMPND 2 MOLECULE: FARNESYL DIPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR L.C.TARSHIS,M.YAN,C.D.POULTER,J.C.SACCHETTINI . 348 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17867.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 80.2 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 . 3 0.9 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 . 18 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 56.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 1 0 0 0 1 1 3 1 1 1 2 0 0 0 0 0 2 0 0 0 0 1 0 2 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 . 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 ANTIPARALLEL 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 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 20 A S > 0 0 81 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 163.1 28.9 20.5 85.1 2 21 A P H >> + 0 0 103 0, 0.0 4,-2.7 0, 0.0 5,-0.5 0.945 360.0 60.3 -59.1 -40.0 29.6 22.3 88.4 3 22 A V H >5S+ 0 0 91 1,-0.2 4,-1.2 2,-0.2 5,-0.0 0.871 114.2 33.8 -50.8 -46.6 31.8 24.5 86.2 4 23 A V H >5S+ 0 0 62 -3,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.959 119.8 48.2 -75.1 -58.3 28.8 25.6 84.2 5 24 A V H X5S+ 0 0 69 -4,-3.2 4,-2.1 1,-0.2 3,-0.5 0.962 114.9 46.1 -46.3 -62.6 26.2 25.5 86.9 6 25 A E H X5S+ 0 0 106 -4,-2.7 4,-2.2 1,-0.3 -1,-0.2 0.864 111.0 53.9 -49.7 -44.9 28.3 27.6 89.3 7 26 A R H XX S+ 0 0 0 -4,-1.8 3,-2.2 -3,-0.2 4,-0.6 0.955 113.4 51.9 -70.0 -54.9 22.8 36.0 88.1 13 32 A V H >< S+ 0 0 86 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.939 105.7 55.2 -46.6 -55.0 24.0 37.0 91.6 14 33 A G T 3< S+ 0 0 54 -4,-2.1 -1,-0.3 1,-0.3 4,-0.2 0.445 97.5 67.1 -64.4 1.2 26.3 39.8 90.2 15 34 A F T X> S+ 0 0 24 -3,-2.2 4,-2.1 1,-0.1 3,-1.5 0.737 76.1 81.8 -93.0 -25.0 23.3 41.3 88.4 16 35 A F H S+ 0 0 77 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.850 109.0 49.2 -62.6 -31.4 23.5 45.6 91.9 18 37 A Q H <> S+ 0 0 53 -3,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.977 108.6 50.8 -69.4 -54.5 22.4 46.3 88.4 19 38 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.888 109.0 52.3 -50.0 -46.4 18.7 45.7 89.2 20 39 A V H X S+ 0 0 7 -4,-2.7 4,-2.0 1,-0.3 5,-0.5 0.946 107.5 51.3 -58.3 -44.1 18.9 48.0 92.2 21 40 A R H X S+ 0 0 118 -4,-1.7 4,-1.2 -5,-0.2 5,-0.3 0.865 108.3 54.2 -61.8 -30.5 20.3 50.7 90.0 22 41 A D H < S+ 0 0 30 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.961 112.0 42.2 -69.3 -45.2 17.4 50.1 87.6 23 42 A L H < S+ 0 0 7 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.765 132.9 13.8 -74.2 -22.9 14.7 50.6 90.3 24 43 A T H >X S+ 0 0 5 -4,-2.0 4,-2.2 -5,-0.2 3,-1.2 0.734 86.2 102.4-124.3 -34.5 16.2 53.6 92.1 25 44 A E T 3< S+ 0 0 111 -4,-1.2 -3,-0.1 -5,-0.5 -2,-0.1 0.707 100.7 30.1 -21.7 -51.1 19.0 55.4 90.2 26 45 A D T 34 S+ 0 0 144 -4,-0.3 -1,-0.3 -5,-0.3 4,-0.2 0.724 110.4 64.1 -90.3 -27.1 16.7 58.2 89.2 27 46 A G T X4 S+ 0 0 22 -3,-1.2 3,-2.4 2,-0.1 2,-0.2 0.969 88.4 87.1 -59.9 -44.2 14.3 58.2 92.1 28 47 A I T 3< S+ 0 0 75 -4,-2.2 7,-0.1 1,-0.3 6,-0.1 -0.300 97.4 16.2 -61.1 118.1 17.3 59.2 94.2 29 48 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.3 -2,-0.2 -2,-0.1 0.271 83.8 141.3 101.5 -10.6 17.8 63.0 94.2 30 49 A H <> - 0 0 83 -3,-2.4 4,-3.0 -4,-0.2 2,-2.7 -0.585 55.8-132.0 -71.6 115.2 14.3 63.7 92.9 31 50 A P T 4 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.029 96.6 31.5 -57.7 31.9 13.2 66.8 94.9 32 51 A E T 4 S+ 0 0 173 -2,-2.7 3,-0.2 0, 0.0 4,-0.1 0.224 133.7 19.0-151.7 -54.3 9.8 65.5 95.8 33 52 A V T > S+ 0 0 73 1,-0.2 4,-1.8 -6,-0.1 3,-0.5 0.362 87.8 111.5-113.4 11.1 10.0 61.7 96.1 34 53 A G H X S+ 0 0 11 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.803 77.5 48.0 -53.6 -44.5 13.7 61.2 96.6 35 54 A D H > S+ 0 0 144 2,-0.2 4,-2.2 -5,-0.2 -1,-0.2 0.871 107.7 57.8 -67.9 -33.9 13.7 60.1 100.2 36 55 A A H > S+ 0 0 59 -3,-0.5 4,-1.1 2,-0.2 -2,-0.2 0.941 115.9 34.3 -61.0 -47.2 10.9 57.6 99.5 37 56 A V H X S+ 0 0 14 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.812 109.9 65.8 -77.5 -29.1 13.0 55.9 96.9 38 57 A A H X S+ 0 0 46 -4,-2.2 4,-0.5 -5,-0.3 -2,-0.2 0.907 109.2 39.3 -57.9 -36.5 16.1 56.6 98.9 39 58 A R H X S+ 0 0 77 -4,-2.2 4,-1.6 1,-0.2 -1,-0.3 0.728 105.9 66.4 -82.3 -28.8 14.5 54.2 101.5 40 59 A L H X S+ 0 0 15 -4,-1.1 4,-3.1 2,-0.2 3,-0.3 0.926 92.8 60.8 -57.7 -46.4 13.3 51.9 98.7 41 60 A K H X S+ 0 0 86 -4,-2.4 4,-3.1 1,-0.3 -1,-0.2 0.896 106.3 48.3 -48.2 -39.2 16.9 51.0 97.9 42 61 A E H X S+ 0 0 109 -4,-0.5 4,-2.4 2,-0.2 -1,-0.3 0.849 109.4 48.9 -71.2 -40.2 17.2 49.7 101.5 43 62 A V H X S+ 0 0 1 -4,-1.6 4,-2.8 -3,-0.3 5,-0.4 0.953 113.9 50.2 -63.1 -44.2 14.0 47.6 101.4 44 63 A L H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.963 115.8 39.3 -54.8 -61.5 15.4 46.2 98.1 45 64 A Q H < S+ 0 0 89 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.777 116.4 51.4 -63.1 -34.4 18.8 45.4 99.4 46 65 A Y H < S+ 0 0 57 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.949 124.5 19.9 -72.2 -46.9 17.6 44.1 102.8 47 66 A N H < S+ 0 0 19 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.729 114.7 58.2 -97.7 -25.3 14.9 41.7 101.6 48 67 A A S < S+ 0 0 1 -4,-2.6 2,-0.5 -5,-0.4 3,-0.4 0.971 90.3 61.6 -74.8 -56.1 15.6 40.7 97.9 49 68 A P S S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 -36,-0.0 -0.607 77.5 92.7 -74.8 117.3 19.1 39.1 97.6 50 69 A G + 0 0 44 -2,-0.5 -2,-0.1 1,-0.1 -3,-0.0 0.389 53.8 63.6-165.4 -56.2 19.1 36.1 99.8 51 70 A G S S- 0 0 31 -3,-0.4 -1,-0.1 1,-0.1 37,-0.0 0.310 93.9 -79.2 -74.3-156.9 18.4 32.5 98.8 52 71 A K - 0 0 120 1,-0.0 -1,-0.1 0, 0.0 0, 0.0 0.705 56.8-131.8 -76.5 -21.2 20.0 30.0 96.5 53 72 A C > + 0 0 7 3,-0.1 4,-2.7 -41,-0.0 5,-0.4 0.325 58.9 147.1 79.3 1.9 18.2 32.0 93.7 54 73 A N H > + 0 0 64 1,-0.2 4,-0.5 2,-0.2 -1,-0.0 0.714 66.1 54.5 -39.0 -29.5 17.1 28.5 92.5 55 74 A R H >> S+ 0 0 59 2,-0.2 3,-2.5 1,-0.1 4,-0.7 0.992 114.0 34.8 -71.0 -69.6 13.8 30.1 91.4 56 75 A G H >> S+ 0 0 0 1,-0.3 4,-1.2 2,-0.2 3,-0.8 0.833 113.6 62.0 -52.5 -36.5 15.2 33.0 89.2 57 76 A L H 3X S+ 0 0 5 -4,-2.7 4,-1.8 1,-0.2 -1,-0.3 0.718 93.5 64.5 -63.2 -23.1 18.1 30.7 88.1 58 77 A T H - 0 0 28 -2,-0.1 3,-2.4 1,-0.0 -2,-0.1 -0.650 40.4 -89.4 -95.9 166.1 18.0 28.6 69.1 69 88 A P T 3 S+ 0 0 129 0, 0.0 3,-0.4 0, 0.0 -2,-0.0 0.571 121.7 69.2 -52.0 -15.0 21.4 30.2 68.3 70 89 A G T 3 S+ 0 0 72 1,-0.2 2,-0.2 2,-0.0 3,-0.1 0.606 101.4 45.9 -82.0 -4.9 19.7 33.3 66.9 71 90 A Q S < S+ 0 0 71 -3,-2.4 -1,-0.2 1,-0.1 -4,-0.1 -0.525 81.1 94.0-137.2 63.0 18.5 34.4 70.3 72 91 A K + 0 0 87 -3,-0.4 2,-0.2 -2,-0.2 -1,-0.1 -0.202 55.9 127.5-146.2 41.2 21.5 34.0 72.6 73 92 A D S >> S- 0 0 67 -3,-0.1 4,-2.8 1,-0.1 3,-1.1 -0.585 73.6-100.1 -99.5 166.5 22.9 37.5 72.4 74 93 A A H 3> S+ 0 0 66 1,-0.3 4,-2.7 2,-0.2 3,-0.3 0.930 121.8 50.2 -48.9 -58.0 23.8 39.9 75.2 75 94 A E H 34 S+ 0 0 117 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.734 116.5 42.7 -59.3 -22.9 20.6 41.9 74.9 76 95 A S H <4 S+ 0 0 29 -3,-1.1 4,-0.5 2,-0.2 -1,-0.3 0.786 112.1 51.1 -93.6 -30.8 18.5 38.7 75.1 77 96 A L H >X S+ 0 0 65 -4,-2.8 4,-2.4 -3,-0.3 3,-1.5 0.936 105.6 56.4 -71.8 -41.1 20.5 37.0 77.8 78 97 A R H 3X S+ 0 0 110 -4,-2.7 4,-2.8 1,-0.3 -1,-0.2 0.750 104.5 53.0 -59.5 -29.1 20.2 40.1 80.1 79 98 A C H 3> S+ 0 0 3 -4,-0.3 4,-1.6 -5,-0.3 -1,-0.3 0.662 106.7 54.4 -77.4 -20.8 16.4 39.9 79.7 80 99 A A H <> S+ 0 0 4 -3,-1.5 4,-1.3 -4,-0.5 -2,-0.2 0.968 112.7 41.6 -73.5 -53.6 16.7 36.3 80.8 81 100 A L H >X S+ 0 0 12 -4,-2.4 4,-2.1 1,-0.2 3,-1.1 0.944 115.3 50.7 -54.7 -55.5 18.6 37.4 83.9 82 101 A A H 3X S+ 0 0 0 -4,-2.8 4,-0.9 1,-0.3 -1,-0.2 0.881 110.0 48.2 -55.4 -40.1 16.3 40.3 84.5 83 102 A V H 3X S+ 0 0 1 -4,-1.6 4,-0.8 1,-0.2 -1,-0.3 0.742 108.2 57.6 -74.1 -15.1 13.1 38.2 84.3 84 103 A G H XX S+ 0 0 0 -4,-1.3 4,-1.5 -3,-1.1 3,-0.8 0.925 104.3 49.9 -76.1 -43.5 14.8 35.8 86.7 85 104 A W H 3X S+ 0 0 5 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.658 101.2 65.3 -66.3 -18.7 15.2 38.6 89.3 86 105 A C H 3X S+ 0 0 0 -4,-0.9 4,-1.0 -5,-0.2 -1,-0.2 0.860 101.2 48.7 -71.7 -35.6 11.5 39.4 88.8 87 106 A I H X>S+ 0 0 7 -4,-2.7 3,-2.3 1,-0.2 4,-1.5 0.941 107.9 55.2 -51.0 -52.1 6.3 37.3 108.2 100 119 A I H 3<5S+ 0 0 15 -4,-1.8 3,-0.4 1,-0.3 -1,-0.2 0.857 108.0 47.1 -52.4 -45.2 4.1 40.1 109.4 101 120 A M T 3<5S+ 0 0 83 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.263 118.5 44.6 -85.8 18.5 0.9 38.1 109.5 102 121 A D T <45S- 0 0 75 -3,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.441 101.2-131.2-128.7 -14.6 2.9 35.5 111.3 103 122 A Q T <5 + 0 0 122 -4,-1.5 -3,-0.2 -3,-0.4 -4,-0.1 0.921 46.1 176.1 58.5 43.9 4.7 37.6 113.8 104 123 A S < - 0 0 28 -5,-1.5 3,-0.1 1,-0.1 -1,-0.1 -0.139 25.6-160.1 -72.4 172.8 7.8 35.8 112.7 105 124 A L + 0 0 87 1,-0.4 7,-1.9 6,-0.1 2,-0.4 0.671 64.9 36.9-124.2 -41.6 11.3 36.7 114.0 106 125 A T E +A 111 0A 90 5,-0.2 -1,-0.4 -7,-0.0 2,-0.3 -0.945 52.5 167.0-124.6 142.7 14.0 35.3 111.8 107 126 A R E > S-A 110 0A 47 3,-2.7 3,-2.6 -2,-0.4 145,-0.0 -0.975 73.3 -2.1-152.2 131.5 14.3 35.0 108.1 108 127 A R T 3 S- 0 0 95 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.894 129.6 -59.5 55.3 37.2 17.3 34.2 105.9 109 128 A G T 3 S+ 0 0 71 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.587 122.6 89.2 69.4 7.7 19.3 34.3 109.0 110 129 A Q E < S-A 107 0A 114 -3,-2.6 -3,-2.7 0, 0.0 2,-0.4 -0.726 88.2 -79.3-127.4 178.6 18.4 37.8 109.9 111 130 A L E -A 106 0A 71 -5,-0.2 -5,-0.2 -2,-0.2 5,-0.1 -0.677 56.7-101.5 -80.3 127.5 15.6 39.7 111.8 112 131 A C > - 0 0 3 -7,-1.9 4,-0.6 -2,-0.4 -1,-0.1 -0.051 33.8-115.5 -44.3 146.2 12.4 40.1 109.8 113 132 A W T >4 S+ 0 0 11 1,-0.2 3,-1.1 2,-0.2 7,-0.4 0.870 112.5 50.5 -54.3 -50.5 12.0 43.5 108.3 114 133 A Y T 34 S+ 0 0 15 1,-0.3 6,-2.0 5,-0.2 -1,-0.2 0.883 104.0 61.5 -60.6 -35.4 9.0 44.7 110.2 115 134 A K T 34 S+ 0 0 88 4,-0.1 -1,-0.3 -11,-0.1 -2,-0.2 0.678 83.7 104.4 -64.5 -18.2 10.7 43.7 113.4 116 135 A K S 4 + 0 0 18 -2,-1.6 3,-1.3 -3,-0.3 2,-0.9 0.947 51.2 119.8 -72.6 -99.4 9.9 49.8 110.6 120 139 A G T 3< S+ 0 0 25 -6,-2.0 3,-0.3 -4,-0.8 -1,-0.1 -0.497 89.3 10.2 74.0-106.5 7.2 47.6 112.1 121 140 A L T > S+ 0 0 118 -2,-0.9 3,-1.2 1,-0.2 4,-0.4 0.576 113.7 75.6 -89.0 -9.4 3.9 48.2 110.3 122 141 A D T X> S+ 0 0 87 -3,-1.3 4,-0.9 1,-0.2 3,-0.6 0.827 77.2 83.1 -67.2 -26.8 5.3 50.2 107.4 123 142 A A H >> S+ 0 0 0 -3,-0.3 3,-0.5 1,-0.2 4,-0.5 0.769 79.9 63.6 -48.9 -28.6 6.6 46.8 106.2 124 143 A I H X> S+ 0 0 82 -3,-1.2 3,-2.8 1,-0.2 4,-1.9 0.990 102.1 47.1 -60.8 -55.4 3.1 46.3 104.7 125 144 A N H <> S+ 0 0 97 -3,-0.6 4,-1.3 -4,-0.4 -1,-0.2 0.581 110.3 54.4 -60.5 -15.3 3.6 49.2 102.2 126 145 A D H X S+ 0 0 0 -4,-1.2 3,-0.8 -3,-0.4 4,-0.7 0.912 111.5 50.2 -65.8 -38.9 8.6 45.2 96.1 131 150 A E H >X S+ 0 0 52 -4,-2.0 3,-1.0 1,-0.3 4,-0.9 0.883 103.8 57.7 -63.2 -37.1 5.7 43.9 94.1 132 151 A S H 3X S+ 0 0 57 -4,-1.9 4,-0.7 1,-0.3 -1,-0.3 0.723 102.1 60.0 -65.1 -16.1 5.5 47.2 92.2 133 152 A S H < S+ 0 0 0 -4,-3.1 3,-0.7 -5,-0.3 6,-0.4 0.317 77.1 109.5-123.7 8.8 10.7 43.7 77.8 143 162 A R T 3< S+ 0 0 143 -4,-0.8 2,-0.5 -5,-0.4 6,-0.1 0.776 87.2 46.9 -60.0 -29.2 8.3 46.6 76.9 144 163 A Q T 3 S+ 0 0 149 -3,-0.1 -1,-0.3 -5,-0.1 3,-0.1 -0.609 94.8 104.0-108.2 60.3 9.3 46.4 73.2 145 164 A R S X S- 0 0 62 -3,-0.7 3,-0.8 -2,-0.5 4,-0.3 -0.998 74.7-129.7-140.7 143.0 9.0 42.6 72.9 146 165 A P T 3 S+ 0 0 126 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.893 109.9 53.3 -62.4 -32.0 6.3 40.6 71.3 147 166 A Y T >> S+ 0 0 27 1,-0.2 3,-2.3 64,-0.1 4,-1.3 0.696 80.6 100.3 -75.2 -18.5 6.1 38.5 74.5 148 167 A Y H X> S+ 0 0 45 -3,-0.8 4,-2.4 -6,-0.4 3,-1.2 0.807 78.9 46.5 -31.8 -74.8 5.6 41.4 77.0 149 168 A V H 3> S+ 0 0 85 -4,-0.3 4,-1.0 1,-0.3 -1,-0.3 0.592 111.1 58.0 -54.7 -10.1 1.8 41.4 77.6 150 169 A H H <> S+ 0 0 55 -3,-2.3 4,-2.2 2,-0.2 -1,-0.3 0.852 108.1 42.7 -83.4 -46.4 2.1 37.6 78.1 151 170 A L H X S+ 0 0 97 -4,-0.7 4,-1.7 -3,-0.5 3,-0.7 0.867 110.4 44.9 -90.9 -52.0 -2.1 35.9 87.5 158 177 A T H 3X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.3 5,-0.3 0.904 110.1 59.3 -61.3 -30.6 0.3 33.7 89.4 159 178 A A H 3X S+ 0 0 6 -4,-2.9 4,-1.7 -5,-0.3 -1,-0.3 0.856 106.2 48.6 -64.1 -30.0 0.3 36.5 92.0 160 179 A Y H <> S+ 0 0 136 -3,-0.7 4,-1.1 -5,-0.3 -1,-0.3 0.793 111.2 49.3 -78.4 -32.6 -3.5 35.9 92.2 161 180 A Q H X S+ 0 0 18 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.854 111.2 46.4 -76.1 -39.1 -3.1 32.2 92.6 162 181 A T H X S+ 0 0 2 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.956 110.7 54.7 -69.1 -42.6 -0.5 32.3 95.3 163 182 A E H X S+ 0 0 85 -4,-1.7 4,-1.2 -5,-0.3 -1,-0.2 0.839 107.2 52.2 -54.4 -36.4 -2.6 34.9 97.1 164 183 A L H >X S+ 0 0 72 -4,-1.1 4,-1.5 2,-0.2 3,-0.6 0.971 113.0 42.0 -65.8 -51.7 -5.5 32.4 96.9 165 184 A G H 3X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.894 107.7 62.1 -62.6 -36.2 -3.5 29.6 98.5 166 185 A Q H 3X S+ 0 0 19 -4,-3.3 4,-2.1 1,-0.3 -1,-0.2 0.870 108.0 44.1 -56.2 -36.4 -2.1 32.0 101.0 167 186 A M H << S+ 0 0 115 -4,-1.2 4,-0.5 -3,-0.6 -1,-0.3 0.766 105.6 59.1 -81.6 -28.1 -5.6 32.5 102.2 168 187 A L H >X S+ 0 0 52 -4,-1.5 4,-2.5 -3,-0.2 3,-0.5 0.909 111.0 46.4 -63.0 -38.1 -6.5 28.8 102.2 169 188 A D H 3X S+ 0 0 34 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.992 106.2 54.2 -64.6 -61.2 -3.6 28.5 104.6 170 189 A L H 3< S+ 0 0 88 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.568 118.6 39.7 -51.1 -12.5 -4.6 31.4 106.9 171 190 A I H <4 S+ 0 0 84 -3,-0.5 -2,-0.2 -4,-0.5 -1,-0.2 0.805 112.7 48.8 -99.6 -68.5 -7.9 29.7 107.2 172 191 A T H < S+ 0 0 0 -4,-2.5 10,-0.2 1,-0.2 -2,-0.2 0.815 115.8 44.0 -38.3 -53.9 -7.2 26.0 107.4 173 192 A A S < S+ 0 0 22 -4,-2.2 2,-0.4 -5,-0.2 -1,-0.2 -0.732 74.4 158.2-103.8 82.6 -4.5 26.4 110.1 174 193 A P > - 0 0 38 0, 0.0 4,-1.4 0, 0.0 3,-0.2 -0.907 40.4-139.5-107.9 134.9 -5.8 28.9 112.8 175 194 A V T 4 S+ 0 0 101 -2,-0.4 4,-0.2 1,-0.2 0, 0.0 0.916 85.4 87.4 -50.0 -51.9 -4.4 29.1 116.4 176 195 A S T 4 S- 0 0 98 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.645 124.0 -11.4 -12.5 -85.7 -7.9 29.6 117.9 177 196 A K T 4 S- 0 0 165 -3,-0.2 2,-3.0 1,-0.1 -1,-0.3 0.472 87.2-144.0-102.4 -4.0 -8.9 26.0 118.2 178 197 A V < - 0 0 23 -4,-1.4 -2,-0.1 1,-0.1 -1,-0.1 -0.361 32.7-153.3 73.5 -57.3 -5.9 25.0 116.1 179 198 A D - 0 0 54 -2,-3.0 4,-0.3 -4,-0.2 -1,-0.1 0.858 33.0-162.4 57.9 123.0 -8.1 22.3 114.7 180 199 A L S S+ 0 0 7 2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 0.364 80.8 84.4-107.6 1.7 -7.0 19.0 113.3 181 200 A S S S+ 0 0 76 1,-0.2 -1,-0.1 3,-0.0 -2,-0.1 0.588 94.9 45.5 -76.6 -15.0 -10.4 18.5 111.6 182 201 A H S S+ 0 0 76 -10,-0.2 2,-1.8 -3,-0.1 5,-0.2 0.800 81.9 95.2 -97.6 -36.9 -9.1 20.6 108.7 183 202 A F + 0 0 6 -4,-0.3 2,-0.2 -11,-0.2 -1,-0.1 -0.322 62.5 146.2 -60.9 85.3 -5.7 19.2 108.1 184 203 A S > - 0 0 51 -2,-1.8 4,-2.4 1,-0.1 5,-0.3 -0.768 60.7-101.7-122.6 170.5 -6.7 16.8 105.3 185 204 A E H > S+ 0 0 71 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.947 116.4 38.6 -55.6 -60.4 -5.3 15.3 102.1 186 205 A E H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.769 118.4 48.7 -68.2 -24.6 -7.1 17.4 99.5 187 206 A R H > S+ 0 0 74 2,-0.2 4,-0.6 -5,-0.2 -1,-0.2 0.826 112.3 47.8 -81.8 -33.5 -6.8 20.6 101.5 188 207 A Y H >X S+ 0 0 7 -4,-2.4 4,-1.8 2,-0.2 3,-1.8 0.987 115.5 46.0 -66.6 -53.5 -3.1 20.1 102.2 189 208 A K H 3X S+ 0 0 77 -4,-2.6 4,-2.2 1,-0.3 3,-0.4 0.933 108.3 56.3 -49.7 -53.5 -2.6 19.4 98.5 190 209 A A H 3X S+ 0 0 22 -4,-2.1 4,-1.0 1,-0.2 5,-0.3 0.639 108.6 49.0 -57.0 -16.5 -4.7 22.4 97.5 191 210 A I H S+ 0 0 12 -3,-1.8 4,-1.2 -4,-0.6 5,-0.6 0.826 107.2 51.6 -91.7 -37.7 -2.4 24.6 99.5 192 211 A V H X>S+ 0 0 4 -4,-1.8 5,-3.4 -3,-0.4 4,-1.2 0.903 111.5 51.7 -64.2 -39.3 0.9 23.3 98.1 193 212 A K H <>S+ 0 0 86 -4,-2.2 5,-2.3 3,-0.2 -2,-0.2 0.990 121.4 24.3 -62.2 -68.5 -0.5 23.9 94.6 194 213 A Y H <5S+ 0 0 78 -4,-1.0 5,-0.5 1,-0.2 -3,-0.1 0.979 126.8 44.5 -67.4 -55.4 -1.6 27.5 94.8 195 214 A K H <5S- 0 0 50 -4,-1.2 -3,-0.2 -5,-0.3 -1,-0.2 0.838 137.0 -0.4 -61.1 -30.7 0.5 28.8 97.5 196 215 A T T XXS+ 0 0 0 -5,-3.4 4,-2.8 3,-0.2 5,-0.8 0.946 103.4 57.6 -46.7 -54.6 3.8 25.0 93.1 198 217 A F H 4XS+ 0 0 8 -5,-2.3 5,-2.8 1,-0.3 -1,-0.2 0.885 116.5 26.0 -45.7 -67.5 2.6 27.8 90.9 199 218 A Y H 45S+ 0 0 22 -5,-0.5 -1,-0.3 -41,-0.2 -2,-0.2 0.649 123.5 54.5 -78.1 -10.5 5.1 30.6 91.4 200 219 A S H <5S+ 0 0 5 -4,-1.7 -2,-0.2 -3,-0.5 -1,-0.2 0.838 127.9 2.4 -90.1 -38.1 7.9 28.2 92.3 201 220 A F T X5S+ 0 0 15 -4,-2.8 4,-1.3 -5,-0.3 5,-0.3 0.759 131.6 41.2-115.0 -56.9 8.0 25.8 89.4 202 221 A Y H >> S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 3,-1.0 0.976 118.9 34.9 -58.2 -62.1 9.8 30.3 86.0 205 224 A V H >X S+ 0 0 6 -4,-1.3 4,-2.7 1,-0.3 3,-1.6 0.955 112.0 62.5 -60.2 -45.8 9.8 27.9 83.0 206 225 A A H 3X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.3 -1,-0.3 0.788 104.7 48.7 -48.0 -31.8 6.5 29.4 81.8 207 226 A A H <>S+ 0 0 2 -4,-2.7 3,-1.4 1,-0.2 5,-0.9 0.958 107.5 50.0 -55.9 -58.2 8.5 29.5 77.2 210 229 A Y H ><5S+ 0 0 38 -4,-1.9 3,-0.9 1,-0.3 -1,-0.2 0.755 106.4 59.6 -52.6 -27.7 6.8 32.8 76.4 211 230 A M H 3<5S+ 0 0 12 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.799 105.7 44.8 -75.6 -28.5 10.2 34.3 75.6 212 231 A V T <<5S- 0 0 23 -3,-1.4 -1,-0.2 -4,-1.1 -2,-0.2 0.018 125.7 -99.1 -99.6 23.8 11.0 31.8 72.8 213 232 A G T < 5S+ 0 0 49 -3,-0.9 2,-1.3 1,-0.2 -3,-0.2 0.026 77.6 138.8 87.7 -26.8 7.5 32.3 71.4 214 233 A I < + 0 0 16 -5,-0.9 -1,-0.2 1,-0.2 -2,-0.1 -0.274 10.9 144.3 -60.2 90.7 5.8 29.2 72.8 215 234 A D + 0 0 90 -2,-1.3 2,-0.6 -5,-0.1 -1,-0.2 0.067 19.7 135.7-115.6 24.6 2.4 30.5 73.8 216 235 A S >> - 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0 0 9 -2,-2.9 4,-1.6 1,-0.1 5,-0.2 -0.482 51.5-103.3 -92.9 170.0 2.3 20.0 107.1 264 283 A W H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.927 116.3 53.9 -52.3 -59.6 2.4 16.6 105.3 265 284 A L H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.895 105.4 53.5 -44.7 -55.2 3.3 14.5 108.3 266 285 A V H > S+ 0 0 3 1,-0.3 4,-2.5 2,-0.2 3,-0.3 0.913 110.6 45.6 -47.7 -55.4 0.3 15.9 110.4 267 286 A V H X S+ 0 0 1 -4,-1.6 4,-1.1 1,-0.2 -1,-0.3 0.873 115.2 50.5 -56.6 -37.7 -2.2 15.0 107.7 268 287 A Q H X S+ 0 0 10 -4,-2.3 4,-1.2 -5,-0.2 -2,-0.2 0.768 110.1 48.0 -72.3 -30.6 -0.4 11.6 107.4 269 288 A C H >< S+ 0 0 0 -4,-2.3 3,-0.6 -3,-0.3 -2,-0.2 0.969 112.4 46.7 -73.7 -56.3 -0.5 11.0 111.2 270 289 A L H >< S+ 0 0 30 -4,-2.5 3,-0.7 1,-0.3 -2,-0.2 0.786 107.3 64.3 -53.8 -31.2 -4.2 11.8 111.5 271 290 A Q H 3< S+ 0 0 108 -4,-1.1 2,-0.4 -5,-0.3 -1,-0.3 0.944 116.0 22.9 -57.7 -54.5 -4.7 9.6 108.5 272 291 A R T << S+ 0 0 103 -4,-1.2 2,-0.3 -3,-0.6 -1,-0.3 -0.631 100.2 119.0-117.6 71.8 -3.6 6.4 110.2 273 292 A V < - 0 0 36 -3,-0.7 -3,-0.0 -2,-0.4 -4,-0.0 -0.878 55.7-121.1-136.6 162.4 -4.1 7.1 113.9 274 293 A T > - 0 0 49 -2,-0.3 4,-3.2 1,-0.1 5,-0.3 -0.786 37.1-104.6-101.4 153.9 -6.1 5.8 116.9 275 294 A P H > S+ 0 0 108 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.787 122.1 49.0 -42.9 -41.6 -8.6 7.8 119.0 276 295 A E H > S+ 0 0 128 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.970 114.5 42.9 -66.6 -51.6 -6.1 8.2 121.8 277 296 A Q H > S+ 0 0 51 -3,-0.2 4,-3.6 1,-0.2 5,-0.2 0.878 111.2 56.8 -62.4 -38.1 -3.2 9.3 119.5 278 297 A R H X S+ 0 0 71 -4,-3.2 4,-1.9 2,-0.2 -1,-0.2 0.933 111.9 41.9 -58.1 -47.8 -5.6 11.6 117.7 279 298 A Q H < S+ 0 0 101 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.884 113.7 52.5 -66.6 -39.6 -6.5 13.3 121.0 280 299 A L H >X S+ 0 0 55 -4,-2.8 4,-2.6 1,-0.2 3,-1.9 0.964 110.0 50.0 -59.1 -48.4 -2.8 13.2 121.9 281 300 A L H 3X S+ 0 0 0 -4,-3.6 4,-1.5 1,-0.3 -2,-0.2 0.808 110.2 47.5 -58.8 -42.3 -2.0 14.9 118.6 282 301 A E H 3< S+ 0 0 79 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.271 119.0 45.1 -84.9 11.1 -4.6 17.6 119.0 283 302 A D H <4 S+ 0 0 79 -3,-1.9 -2,-0.3 -5,-0.1 -1,-0.2 0.621 122.9 27.5-121.6 -30.2 -3.1 18.0 122.5 284 303 A N H < S+ 0 0 31 -4,-2.6 2,-0.8 -5,-0.1 3,-0.5 0.638 101.7 82.4-108.1 -22.3 0.7 18.0 122.0 285 304 A Y S < S+ 0 0 9 -4,-1.5 -1,-0.1 -5,-0.4 -27,-0.1 -0.793 81.4 48.8 -90.9 107.3 1.0 19.3 118.5 286 305 A G S S+ 0 0 12 -2,-0.8 2,-0.3 1,-0.3 -26,-0.2 0.571 87.0 75.9 141.7 17.8 0.9 23.1 118.4 287 306 A R S S- 0 0 114 -3,-0.5 2,-1.5 -28,-0.1 -1,-0.3 -0.990 73.5-110.1-157.7 147.2 3.2 24.8 121.0 288 307 A K S S+ 0 0 160 -2,-0.3 3,-0.1 -30,-0.3 -30,-0.0 -0.581 70.3 118.6 -76.2 88.6 6.8 25.7 121.8 289 308 A E > - 0 0 76 -2,-1.5 4,-2.1 1,-0.1 5,-0.3 -0.831 63.9-136.9-156.5 113.9 7.5 23.4 124.7 290 309 A P H > S+ 0 0 107 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.792 102.5 57.7 -40.1 -37.0 10.3 20.7 124.5 291 310 A E H > S+ 0 0 147 2,-0.2 4,-1.1 1,-0.1 3,-0.2 0.980 111.0 30.8 -59.0 -85.8 7.7 18.4 126.2 292 311 A K H > S+ 0 0 83 1,-0.2 4,-1.1 2,-0.2 3,-0.4 0.809 117.2 59.5 -46.4 -39.8 4.7 18.3 123.9 293 312 A V H >X S+ 0 0 30 -4,-2.1 4,-1.8 1,-0.2 3,-1.8 0.973 106.7 43.4 -55.7 -62.3 6.8 18.8 120.7 294 313 A A H 3X S+ 0 0 55 -4,-1.5 4,-1.2 1,-0.3 -1,-0.2 0.663 109.4 59.4 -61.0 -16.5 8.9 15.7 121.1 295 314 A K H 3X S+ 0 0 64 -4,-1.1 4,-1.3 -3,-0.4 -1,-0.3 0.710 104.2 50.8 -82.9 -22.1 5.8 13.7 122.0 296 315 A V H S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 5,-1.8 0.924 117.0 40.0 -55.2 -46.1 4.8 10.3 114.2 301 320 A E H <5S+ 0 0 98 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.850 114.2 54.4 -70.9 -32.4 7.7 7.8 114.5 302 321 A A H <5S+ 0 0 72 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.859 111.7 45.3 -68.1 -36.8 5.4 5.5 116.6 303 322 A V H <5S- 0 0 39 -4,-3.1 -2,-0.2 -5,-0.1 -1,-0.2 0.927 120.1-101.2 -74.5 -50.4 2.8 5.5 113.8 304 323 A G T >X5 + 0 0 28 -4,-2.3 4,-1.9 -5,-0.2 3,-0.7 0.666 63.8 146.8 129.6 39.7 5.1 4.9 110.8 305 324 A M H 3> S+ 0 0 83 -6,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.773 109.4 40.0 -62.2 -26.1 9.5 7.0 107.9 307 326 A A H <> S+ 0 0 48 -3,-0.7 4,-2.1 2,-0.2 5,-0.4 0.908 110.3 57.4 -84.6 -51.4 7.7 4.3 105.8 308 327 A A H X S+ 0 0 23 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.781 109.2 47.4 -48.2 -37.7 4.9 6.5 104.5 309 328 A F H X S+ 0 0 1 -4,-2.2 4,-3.1 2,-0.1 3,-0.5 0.955 110.6 50.0 -72.2 -51.4 7.5 8.9 103.1 310 329 A Q H X S+ 0 0 51 -4,-0.9 4,-2.4 1,-0.2 5,-0.2 0.932 109.1 47.9 -53.1 -61.9 9.7 6.3 101.4 311 330 A Q H < S+ 0 0 113 -4,-2.1 -1,-0.2 1,-0.2 4,-0.2 0.746 116.9 48.7 -53.8 -25.5 6.9 4.4 99.5 312 331 A Y H >X S+ 0 0 43 -4,-0.6 4,-3.2 -3,-0.5 3,-1.3 0.944 114.9 38.4 -79.3 -58.8 5.7 7.8 98.4 313 332 A E H 3X S+ 0 0 15 -4,-3.1 4,-1.4 1,-0.3 -2,-0.2 0.730 113.3 61.6 -66.4 -15.2 8.9 9.4 97.2 314 333 A E H 3< S+ 0 0 103 -4,-2.4 -1,-0.3 -5,-0.4 -2,-0.2 0.704 114.2 33.1 -78.4 -24.5 9.6 5.9 95.9 315 334 A S H X> S+ 0 0 57 -3,-1.3 4,-3.0 -4,-0.2 3,-0.9 0.704 110.9 67.0-100.6 -27.4 6.6 6.2 93.7 316 335 A S H 3X S+ 0 0 4 -4,-3.2 4,-2.6 1,-0.3 5,-0.2 0.971 99.4 47.2 -57.2 -61.1 6.9 10.0 93.1 317 336 A Y H 3< S+ 0 0 124 -4,-1.4 4,-0.4 1,-0.2 -1,-0.3 0.508 115.5 51.2 -61.6 -5.0 10.2 9.8 91.1 318 337 A R H X> S+ 0 0 169 -3,-0.9 4,-1.7 2,-0.2 3,-0.8 0.859 107.3 47.1 -94.4 -57.8 8.4 7.1 89.1 319 338 A R H 3X S+ 0 0 135 -4,-3.0 4,-1.4 1,-0.3 -2,-0.2 0.851 110.2 57.6 -48.7 -41.2 5.2 8.9 88.3 320 339 A L H 3X S+ 0 0 1 -4,-2.6 4,-1.6 1,-0.2 3,-0.5 0.921 102.5 51.9 -57.6 -46.3 7.3 11.9 87.3 321 340 A Q H <> S+ 0 0 68 -3,-0.8 4,-2.2 -4,-0.4 -1,-0.2 0.861 113.4 45.3 -60.3 -36.4 9.2 9.8 84.7 322 341 A E H < S+ 0 0 106 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.667 111.1 52.6 -79.9 -18.5 5.8 8.8 83.3 323 342 A L H < S+ 0 0 21 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.662 113.8 45.0 -88.8 -17.3 4.5 12.4 83.5 324 343 A I H >X S+ 0 0 8 -4,-1.6 4,-3.3 2,-0.2 3,-2.1 0.936 110.4 49.0 -85.7 -61.5 7.6 13.5 81.5 325 344 A E T 3< S+ 0 0 143 -4,-2.2 -3,-0.1 1,-0.3 -2,-0.1 0.601 120.0 43.3 -56.1 -10.5 7.7 10.8 78.8 326 345 A K T 34 S+ 0 0 147 -5,-0.1 -1,-0.3 -4,-0.1 -2,-0.2 0.494 124.4 31.0-112.5 -10.7 4.0 11.7 78.4 327 346 A H T <4 S+ 0 0 32 -3,-2.1 2,-0.7 -4,-0.1 4,-0.3 0.510 99.5 76.0-125.9 -5.8 4.2 15.5 78.5 328 347 A S < + 0 0 4 -4,-3.3 5,-0.4 1,-0.2 -1,-0.1 -0.456 55.1 121.7-104.1 59.6 7.6 16.4 77.1 329 348 A N S S+ 0 0 117 -2,-0.7 -1,-0.2 -3,-0.1 4,-0.1 0.928 89.8 14.4 -83.5 -52.1 6.8 15.9 73.4 330 349 A R S S+ 0 0 141 -3,-0.3 -2,-0.1 2,-0.1 3,-0.0 0.926 118.4 74.2 -86.2 -51.3 7.5 19.4 72.1 331 350 A L S S- 0 0 8 -4,-0.3 2,-0.6 1,-0.1 -265,-0.1 -0.367 97.1-100.5 -67.5 134.0 9.4 20.7 75.1 332 351 A P > - 0 0 39 0, 0.0 3,-2.7 0, 0.0 4,-0.4 -0.353 26.2-149.7 -59.6 106.9 13.0 19.5 75.7 333 352 A K T >> S+ 0 0 86 -2,-0.6 4,-2.0 -5,-0.4 3,-1.1 0.757 90.4 76.2 -46.5 -32.1 12.7 16.8 78.4 334 353 A E H 3> S+ 0 0 129 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.806 83.5 67.0 -54.8 -27.9 16.2 17.8 79.6 335 354 A I H <> S+ 0 0 21 -3,-2.7 4,-1.0 1,-0.2 -1,-0.3 0.882 107.6 36.4 -59.0 -44.8 14.6 20.9 81.2 336 355 A F H <> S+ 0 0 6 -3,-1.1 4,-3.6 -4,-0.4 -1,-0.2 0.851 114.7 55.2 -78.8 -38.3 12.7 18.8 83.8 337 356 A L H X S+ 0 0 83 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.988 109.9 47.4 -58.1 -55.5 15.4 16.2 84.3 338 357 A G H X S+ 0 0 40 -4,-2.8 4,-0.6 1,-0.2 -1,-0.2 0.820 115.2 46.0 -54.8 -35.9 17.9 19.0 85.1 339 358 A L H >X S+ 0 0 21 -4,-1.0 3,-1.7 -5,-0.2 4,-0.6 0.960 109.4 53.8 -72.2 -48.6 15.4 20.5 87.5 340 359 A A H >X S+ 0 0 7 -4,-3.6 4,-2.7 1,-0.3 3,-1.5 0.840 99.5 65.0 -54.1 -36.0 14.5 17.1 89.1 341 360 A Q H 3< S+ 0 0 142 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.778 99.4 49.9 -59.2 -33.9 18.2 16.6 89.8 342 361 A K H << S+ 0 0 91 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.616 124.8 32.1 -78.8 -12.2 18.3 19.5 92.2 343 362 A I H << S+ 0 0 20 -3,-1.5 2,-2.2 -4,-0.6 -2,-0.2 0.854 94.6 75.8-107.9 -63.2 15.2 18.0 93.9 344 363 A Y S < S+ 0 0 30 -4,-2.7 2,-0.2 -5,-0.1 -1,-0.1 -0.320 71.9 89.6 -64.5 77.6 14.9 14.2 93.9 345 364 A K - 0 0 141 -2,-2.2 2,-0.1 -3,-0.1 -1,-0.0 -0.663 56.6-174.6-171.0 93.3 17.4 13.2 96.6 346 365 A R - 0 0 102 -2,-0.2 2,-0.5 -33,-0.0 -109,-0.0 -0.313 31.0-114.4 -88.5 179.6 16.0 13.1 100.1 347 366 A Q 0 0 47 -2,-0.1 -101,-0.1 -110,-0.1 -99,-0.0 -0.678 360.0 360.0-121.4 76.8 17.6 12.5 103.4 348 367 A K 0 0 118 -2,-0.5 -38,-0.2 -103,-0.1 -39,-0.1 0.200 360.0 360.0 79.5 360.0 16.2 9.1 104.6