==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-DEC-03 1RQJ . COMPND 2 MOLECULE: GERANYLTRANSTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.J.HOSFIELD,Y.ZHANG,D.R.DOUGAN,A.BROOUN,L.W.TARI,R.V.SWANSO . 597 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25823.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 472 79.1 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 . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 9 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 372 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 2 5 0 0 0 0 1 5 4 2 0 2 0 0 0 0 2 2 2 1 0 0 0 0 1 0 2 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 22 A M 0 0 238 0, 0.0 2,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -49.9 65.2 51.2 -7.3 2 23 A D > - 0 0 91 1,-0.2 4,-1.6 2,-0.1 3,-0.3 -0.745 360.0-172.2 -94.6 102.5 61.6 52.2 -6.4 3 24 A F H > S+ 0 0 34 -2,-1.0 4,-2.7 1,-0.2 5,-0.2 0.872 77.7 53.5 -68.5 -48.4 61.9 55.1 -4.0 4 25 A P H > S+ 0 0 92 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.871 111.6 49.2 -51.9 -39.5 58.2 55.7 -2.9 5 26 A Q H > S+ 0 0 148 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.851 110.6 50.2 -69.1 -35.8 58.1 52.0 -1.8 6 27 A Q H X S+ 0 0 103 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.927 109.3 51.5 -66.1 -45.1 61.4 52.4 0.1 7 28 A L H X S+ 0 0 21 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.925 112.5 45.3 -55.7 -46.5 60.1 55.5 1.8 8 29 A E H X S+ 0 0 91 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.897 110.8 53.2 -70.0 -38.0 57.0 53.6 3.0 9 30 A A H X S+ 0 0 51 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.919 111.2 47.9 -56.3 -44.9 59.0 50.6 4.0 10 31 A C H X S+ 0 0 10 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.913 107.7 54.3 -64.2 -43.0 61.1 52.9 6.1 11 32 A V H X S+ 0 0 27 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.927 112.5 44.3 -57.4 -44.7 58.1 54.6 7.7 12 33 A K H X S+ 0 0 132 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.917 114.4 48.3 -66.6 -45.3 56.7 51.2 8.8 13 34 A Q H X S+ 0 0 55 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.949 114.8 45.1 -60.1 -50.5 60.1 50.0 10.1 14 35 A A H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 -2,-0.2 0.870 111.9 51.7 -64.4 -38.6 60.7 53.3 12.0 15 36 A N H X S+ 0 0 40 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.889 110.6 48.5 -65.3 -41.2 57.2 53.4 13.5 16 37 A Q H X S+ 0 0 91 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.909 113.0 48.2 -60.7 -47.1 57.6 49.8 14.7 17 38 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.957 113.7 46.2 -57.8 -53.2 61.0 50.6 16.2 18 39 A L H X S+ 0 0 1 -4,-3.1 4,-1.8 1,-0.2 3,-0.2 0.913 112.1 51.4 -57.2 -46.5 59.6 53.8 17.9 19 40 A S H X S+ 0 0 53 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.865 107.8 52.2 -60.0 -39.0 56.5 51.9 19.2 20 41 A R H < S+ 0 0 136 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.822 111.4 46.3 -69.6 -33.0 58.6 49.1 20.7 21 42 A F H < S+ 0 0 47 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.756 116.5 45.7 -79.4 -24.6 60.8 51.6 22.6 22 43 A I H >< S+ 0 0 3 -4,-1.8 3,-1.6 -5,-0.2 -2,-0.2 0.797 98.2 73.4 -83.3 -30.7 57.7 53.5 23.8 23 44 A A T 3< S+ 0 0 63 -4,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.797 92.2 51.0 -62.1 -37.6 55.7 50.4 24.8 24 45 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.499 86.9 110.5 -77.1 -3.2 57.6 49.4 28.0 25 46 A L S < S- 0 0 50 -3,-1.6 3,-0.3 1,-0.1 -3,-0.0 -0.424 71.0-119.3 -70.5 145.8 57.2 53.0 29.4 26 47 A P S S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.258 89.4 48.1 -73.1 172.3 54.9 53.5 32.3 27 48 A F S > S+ 0 0 146 1,-0.2 3,-1.1 2,-0.1 6,-0.4 0.778 71.2 176.2 65.2 31.8 51.9 55.8 32.2 28 49 A Q T 3 + 0 0 57 -3,-0.3 -1,-0.2 1,-0.3 4,-0.0 -0.390 67.2 23.4 -59.5 142.6 50.5 54.3 28.9 29 50 A N T 3 S+ 0 0 126 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.801 95.8 117.0 63.3 31.5 47.2 55.9 28.0 30 51 A T S <> S- 0 0 46 -3,-1.1 4,-2.6 1,-0.0 3,-0.3 -0.881 80.2-102.8-114.1 158.7 47.8 59.0 30.1 31 52 A P H > S+ 0 0 67 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.820 116.1 51.1 -52.1 -42.8 48.0 62.5 28.4 32 53 A V H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.925 115.6 41.3 -66.0 -42.2 51.8 62.9 28.4 33 54 A V H > S+ 0 0 6 -6,-0.4 4,-2.5 -3,-0.3 5,-0.2 0.905 114.6 51.8 -71.0 -38.7 52.5 59.5 26.9 34 55 A E H X S+ 0 0 72 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.870 109.2 51.7 -63.2 -34.3 49.6 59.9 24.4 35 56 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.923 109.3 49.5 -65.7 -43.7 51.1 63.3 23.5 36 57 A M H X S+ 0 0 8 -4,-2.1 4,-2.0 1,-0.2 5,-0.3 0.925 113.3 46.6 -60.2 -43.7 54.5 61.6 22.9 37 58 A Q H X>S+ 0 0 60 -4,-2.5 4,-2.1 2,-0.2 5,-0.6 0.860 114.2 47.4 -68.2 -38.5 52.9 58.9 20.7 38 59 A Y H X5S+ 0 0 36 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.954 116.6 42.5 -65.1 -51.7 50.9 61.5 18.8 39 60 A G H <5S+ 0 0 9 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.753 123.6 36.8 -70.7 -26.2 53.8 63.8 18.2 40 61 A A H <5S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.809 128.3 25.3 -94.0 -34.9 56.3 60.9 17.4 41 62 A L H <5S+ 0 0 31 -4,-2.1 2,-1.2 -5,-0.3 -3,-0.2 0.728 92.5 88.3-109.5 -26.3 54.2 58.4 15.4 42 63 A L S < + 0 0 4 1,-0.1 4,-2.1 -3,-0.1 5,-0.1 0.808 46.7 151.6 54.0 40.3 60.8 59.5 8.7 47 68 A L H > + 0 0 4 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.769 66.7 56.5 -72.9 -24.8 63.6 60.7 6.5 48 69 A R H > S+ 0 0 18 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.955 109.3 44.6 -72.1 -49.0 66.1 60.9 9.4 49 70 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.914 110.1 58.3 -50.7 -42.7 65.5 57.2 10.2 50 71 A F H X S+ 0 0 11 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.914 106.6 47.5 -53.3 -46.5 65.8 56.7 6.4 51 72 A L H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.852 111.8 49.3 -61.9 -40.5 69.3 58.2 6.6 52 73 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.956 116.4 42.0 -64.3 -49.7 70.2 56.1 9.6 53 74 A Y H X S+ 0 0 10 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.914 115.7 48.3 -63.2 -48.2 69.0 52.9 7.9 54 75 A A H X S+ 0 0 8 -4,-2.9 4,-1.4 -5,-0.3 -1,-0.2 0.885 114.8 45.8 -63.6 -40.3 70.5 53.7 4.5 55 76 A T H X S+ 0 0 0 -4,-2.0 4,-0.6 -5,-0.2 3,-0.4 0.967 116.2 43.4 -68.9 -52.8 73.8 54.7 5.9 56 77 A G H ><>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 3,-1.2 0.875 109.9 58.0 -57.5 -40.5 74.1 51.6 8.2 57 78 A H H ><5S+ 0 0 84 -4,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.847 95.0 64.8 -60.8 -34.9 72.9 49.4 5.4 58 79 A M H 3<5S+ 0 0 22 -4,-1.4 225,-0.3 -3,-0.4 -1,-0.3 0.794 107.0 43.2 -56.0 -31.6 75.8 50.5 3.2 59 80 A F T <<5S- 0 0 44 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.279 121.1-107.1 -99.4 7.6 78.1 48.9 5.7 60 81 A G T < 5 + 0 0 64 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.662 63.9 154.9 77.8 18.2 76.0 45.7 6.1 61 82 A V < - 0 0 12 -5,-2.1 -1,-0.3 -8,-0.1 136,-0.1 -0.567 50.4 -99.9 -79.4 144.8 74.7 46.5 9.6 62 83 A S >> - 0 0 59 -2,-0.2 4,-1.8 1,-0.1 3,-0.6 -0.330 17.7-129.9 -66.4 139.4 71.4 44.8 10.4 63 84 A T H 3> S+ 0 0 46 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.868 107.2 60.8 -52.9 -38.8 68.2 46.8 10.1 64 85 A N H 34 S+ 0 0 84 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.836 105.3 45.1 -63.4 -37.9 67.3 45.6 13.7 65 86 A T H X4 S+ 0 0 0 -3,-0.6 3,-1.3 1,-0.2 -1,-0.2 0.873 109.4 57.3 -71.7 -34.0 70.3 47.2 15.3 66 87 A L H 3X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.3 5,-0.2 0.686 86.4 79.5 -70.2 -17.6 69.7 50.3 13.3 67 88 A D H 3X S+ 0 0 5 -4,-1.0 4,-2.4 -3,-0.2 -1,-0.3 0.835 89.7 56.9 -53.9 -36.4 66.2 50.6 14.8 68 89 A A H <> S+ 0 0 1 -3,-1.3 4,-2.5 -4,-0.3 -1,-0.2 0.985 113.0 34.0 -65.6 -61.8 67.9 52.0 17.9 69 90 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.858 118.1 55.8 -61.4 -35.5 69.7 55.0 16.3 70 91 A A H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.941 112.7 41.4 -59.7 -44.9 66.8 55.4 13.8 71 92 A A H X S+ 0 0 1 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.881 113.6 53.6 -71.9 -37.6 64.3 55.7 16.7 72 93 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.922 110.4 45.2 -61.9 -49.4 66.6 57.9 18.8 73 94 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.859 113.2 51.0 -65.4 -35.7 67.1 60.5 16.0 74 95 A E H X S+ 0 0 0 -4,-1.7 4,-3.1 -5,-0.2 -2,-0.2 0.835 106.8 55.2 -71.1 -30.7 63.4 60.5 15.3 75 96 A C H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.934 110.1 45.3 -63.8 -45.7 62.7 61.0 19.0 76 97 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.932 114.7 48.9 -61.3 -46.2 64.9 64.1 18.9 77 98 A H H X S+ 0 0 22 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.955 111.9 48.2 -57.6 -51.8 63.2 65.2 15.7 78 99 A A H X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.883 111.7 50.2 -56.5 -42.2 59.8 64.7 17.1 79 100 A Y H X S+ 0 0 18 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.916 106.7 55.5 -63.9 -41.4 60.7 66.6 20.3 80 101 A S H X S+ 0 0 14 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.871 109.3 46.0 -63.0 -35.6 62.0 69.5 18.3 81 102 A L H X S+ 0 0 24 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.843 107.4 57.0 -76.4 -35.0 58.7 69.9 16.4 82 103 A I H < S+ 0 0 6 -4,-1.8 4,-0.4 -5,-0.2 20,-0.2 0.940 115.3 37.3 -61.6 -45.2 56.6 69.7 19.4 83 104 A H H >< S+ 0 0 36 -4,-2.0 3,-0.9 1,-0.2 7,-0.2 0.837 111.3 60.3 -76.6 -33.5 58.5 72.6 21.0 84 105 A D H 3< S+ 0 0 18 -4,-2.0 6,-2.9 -5,-0.2 7,-0.3 0.849 103.4 51.2 -60.7 -38.4 58.8 74.5 17.8 85 106 A D T 3< S+ 0 0 4 -4,-1.9 7,-1.3 5,-0.2 -1,-0.2 0.614 84.5 119.4 -76.6 -13.1 55.0 74.7 17.3 86 107 A L S X >S- 0 0 18 -3,-0.9 5,-2.5 -4,-0.4 3,-1.6 -0.104 78.7-111.7 -54.9 150.9 54.5 76.1 20.8 87 108 A P T 3 5S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.855 119.5 50.9 -49.3 -41.0 52.9 79.6 21.2 88 109 A A T 3 5S+ 0 0 97 -5,-0.1 -2,-0.1 2,-0.1 -4,-0.1 0.629 121.0 36.3 -73.1 -16.1 56.1 81.1 22.5 89 110 A M T < 5S- 0 0 43 -3,-1.6 -4,-0.2 -6,-0.2 -5,-0.1 0.573 139.4 -27.9-102.2-107.7 58.0 79.6 19.6 90 111 A D T 5S- 0 0 16 -6,-2.9 -5,-0.2 -7,-0.2 -4,-0.1 0.638 71.4-143.7 -92.6 -14.3 56.4 79.4 16.1 91 112 A D < + 0 0 100 -5,-2.5 2,-0.4 -7,-0.3 -5,-0.2 0.931 36.1 165.4 54.5 55.7 52.8 79.2 17.4 92 113 A D - 0 0 26 -7,-1.3 -1,-0.2 1,-0.1 11,-0.2 -0.834 30.1-165.3-104.7 141.3 51.5 76.8 14.7 93 114 A D + 0 0 68 -2,-0.4 7,-1.5 1,-0.1 2,-0.4 0.525 69.9 56.4-104.2 -7.5 48.2 75.0 15.0 94 115 A L E +A 99 0A 33 5,-0.3 144,-0.4 9,-0.0 2,-0.3 -0.980 49.9 156.8-128.7 138.9 48.8 72.4 12.3 95 116 A R E > S+A 98 0A 39 3,-2.5 3,-1.9 -2,-0.4 142,-0.2 -0.931 73.6 2.3-154.9 140.3 51.4 69.7 11.6 96 117 A R T 3 S- 0 0 53 139,-0.4 140,-0.2 -2,-0.3 141,-0.2 0.805 130.1 -59.3 52.2 33.0 51.2 66.5 9.6 97 118 A G T 3 S+ 0 0 50 139,-2.1 -1,-0.3 1,-0.2 140,-0.1 0.432 121.2 85.7 85.1 3.8 47.6 67.4 8.7 98 119 A L E < S-A 95 0A 62 -3,-1.9 -3,-2.5 138,-0.3 -1,-0.2 -0.809 90.8 -71.6-133.8 161.8 46.5 67.4 12.3 99 120 A P E -A 94 0A 55 0, 0.0 -5,-0.3 0, 0.0 -6,-0.1 -0.330 60.0-108.9 -48.3 136.1 46.2 69.7 15.3 100 121 A T > - 0 0 4 -7,-1.5 4,-2.3 1,-0.1 3,-0.5 -0.257 33.6 -99.9 -63.4 161.1 49.7 70.3 16.8 101 122 A C H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.874 122.1 51.0 -54.4 -43.1 50.5 68.7 20.1 102 123 A H H > S+ 0 0 16 -20,-0.2 4,-1.3 3,-0.2 -1,-0.2 0.847 110.9 49.6 -70.6 -31.9 49.9 71.8 22.2 103 124 A V H 4 S+ 0 0 78 -3,-0.5 -2,-0.2 -11,-0.2 -1,-0.2 0.972 118.8 36.3 -65.6 -53.7 46.5 72.4 20.6 104 125 A K H < S+ 0 0 117 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.863 136.7 18.7 -71.6 -38.3 45.2 68.8 21.1 105 126 A F H < S- 0 0 33 -4,-2.8 4,-0.4 -5,-0.3 -3,-0.2 0.453 111.3-104.9-114.8 -4.2 46.8 68.1 24.5 106 127 A G X - 0 0 29 -4,-1.3 4,-1.7 -5,-0.4 -1,-0.2 -0.095 34.7 -80.7 94.5 164.7 47.7 71.6 25.9 107 128 A E H > S+ 0 0 109 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.901 124.8 52.9 -72.6 -42.9 50.9 73.5 26.2 108 129 A A H > S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.938 110.9 47.1 -59.6 -49.1 52.1 71.8 29.4 109 130 A N H > S+ 0 0 43 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.856 112.0 51.6 -59.5 -39.5 51.7 68.3 27.9 110 131 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.922 110.9 47.1 -63.3 -45.6 53.5 69.4 24.8 111 132 A I H X S+ 0 0 64 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.954 117.3 42.6 -58.8 -51.2 56.4 70.8 26.8 112 133 A L H X S+ 0 0 94 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.872 112.6 52.4 -68.9 -38.2 56.7 67.6 28.9 113 134 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.876 111.9 46.2 -66.5 -37.9 56.2 65.2 26.0 114 135 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.935 112.7 50.9 -68.1 -44.4 58.9 66.9 24.1 115 136 A D H X S+ 0 0 71 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.927 113.4 45.2 -52.2 -49.8 61.1 66.9 27.2 116 137 A A H X S+ 0 0 33 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.803 108.7 55.4 -69.6 -34.5 60.4 63.1 27.6 117 138 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.880 106.9 51.1 -65.8 -38.0 61.0 62.3 23.9 118 139 A Q H X S+ 0 0 69 -4,-2.1 4,-1.0 1,-0.2 3,-0.2 0.946 112.6 46.5 -60.8 -47.5 64.5 63.9 24.1 119 140 A T H X S+ 0 0 88 -4,-1.9 4,-1.9 1,-0.2 3,-0.5 0.888 107.6 56.9 -61.3 -40.0 65.2 61.8 27.2 120 141 A L H X S+ 0 0 12 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.857 98.1 61.6 -61.4 -37.6 63.9 58.7 25.5 121 142 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 -3,-0.2 -1,-0.2 0.894 108.8 42.7 -53.7 -43.2 66.3 59.2 22.6 122 143 A F H X S+ 0 0 44 -4,-1.0 4,-1.6 -3,-0.5 -2,-0.2 0.796 110.8 54.5 -79.3 -28.5 69.2 58.8 25.2 123 144 A S H X S+ 0 0 49 -4,-1.9 4,-2.1 2,-0.2 5,-0.3 0.885 109.3 50.4 -64.2 -39.7 67.5 55.9 26.9 124 145 A I H X S+ 0 0 4 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.962 112.0 45.1 -63.8 -50.0 67.3 54.1 23.5 125 146 A L H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.800 119.1 41.8 -66.5 -31.7 71.0 54.7 22.7 126 147 A S H < S+ 0 0 58 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.810 129.0 24.7 -84.3 -28.1 72.2 53.6 26.1 127 148 A D H < S+ 0 0 126 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.648 91.4 101.3-112.8 -25.9 69.8 50.6 26.6 128 149 A A S < S- 0 0 9 -4,-2.7 2,-0.4 -5,-0.3 -63,-0.0 -0.283 79.1 -96.1 -73.9 155.6 68.6 49.2 23.3 129 150 A D + 0 0 130 -65,-0.1 -61,-0.3 1,-0.1 -1,-0.1 -0.559 48.1 159.8 -71.2 122.2 70.1 46.1 21.7 130 151 A M > - 0 0 5 -2,-0.4 3,-2.0 3,-0.2 -65,-0.1 -0.653 14.4-176.1-138.0 78.4 72.8 46.8 19.1 131 152 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.792 79.3 42.3 -51.7 -36.5 74.7 43.5 18.9 132 153 A E T 3 S+ 0 0 95 -70,-0.1 2,-0.6 2,-0.1 -71,-0.0 0.489 94.4 99.9 -89.8 -0.4 77.5 44.6 16.5 133 154 A V < - 0 0 11 -3,-2.0 -3,-0.2 65,-0.1 63,-0.1 -0.772 66.0-140.4-101.9 116.1 78.1 47.9 18.2 134 155 A S > - 0 0 53 -2,-0.6 4,-2.5 1,-0.1 5,-0.2 -0.267 25.3-113.7 -63.7 154.8 81.0 48.3 20.6 135 156 A D H > S+ 0 0 123 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.873 119.5 57.3 -55.7 -38.8 80.5 50.3 23.8 136 157 A R H > S+ 0 0 141 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.917 109.9 43.0 -59.3 -44.2 83.0 52.8 22.4 137 158 A D H > S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.845 111.8 53.9 -74.1 -31.1 80.8 53.3 19.3 138 159 A R H X S+ 0 0 40 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.905 109.5 48.6 -66.7 -41.3 77.6 53.4 21.5 139 160 A I H X S+ 0 0 86 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.910 110.0 52.0 -63.5 -41.5 79.1 56.2 23.5 140 161 A S H X S+ 0 0 17 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.866 107.8 52.7 -63.6 -36.3 80.1 58.0 20.3 141 162 A M H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.911 111.8 44.8 -62.6 -46.3 76.5 57.7 19.1 142 163 A I H X S+ 0 0 48 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.923 114.2 49.5 -63.0 -47.6 75.2 59.3 22.3 143 164 A S H X S+ 0 0 72 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.903 113.1 47.0 -59.6 -43.6 77.9 62.0 22.2 144 165 A E H X S+ 0 0 17 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.911 112.2 48.4 -66.6 -44.5 77.0 62.8 18.6 145 166 A L H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.918 113.8 49.1 -63.2 -39.6 73.3 62.9 19.2 146 167 A A H X S+ 0 0 45 -4,-2.6 4,-2.2 2,-0.2 3,-0.3 0.953 113.5 43.3 -63.0 -52.1 73.8 65.2 22.2 147 168 A S H < S+ 0 0 56 -4,-2.5 5,-0.2 1,-0.2 -1,-0.2 0.884 117.1 48.1 -64.4 -35.5 76.1 67.7 20.5 148 169 A A H < S+ 0 0 4 -4,-2.4 6,-2.8 -5,-0.2 -1,-0.2 0.748 117.0 41.6 -75.0 -26.4 73.9 67.7 17.4 149 170 A S H < S+ 0 0 1 -4,-1.5 6,-1.4 -3,-0.3 -2,-0.2 0.758 109.5 62.9 -92.4 -28.5 70.7 68.2 19.4 150 171 A G S ><>S- 0 0 23 -4,-2.2 3,-2.0 4,-0.2 6,-1.5 0.304 111.8 -54.6 -85.9-151.1 71.8 70.7 21.9 151 172 A I T 3 5S+ 0 0 141 1,-0.3 -4,-0.1 4,-0.3 8,-0.1 0.748 132.6 56.1 -69.2 -24.5 73.2 74.3 21.9 152 173 A A T 3 5S+ 0 0 68 -5,-0.2 -1,-0.3 -6,-0.2 -5,-0.1 0.529 127.2 6.7 -80.4 -7.6 76.0 73.4 19.5 153 174 A G T <>5S+ 0 0 0 -3,-2.0 4,-2.5 -7,-0.2 -4,-0.2 -0.035 128.5 3.5-136.7-117.0 73.3 72.1 17.0 154 175 A M H >5S+ 0 0 6 -6,-2.8 4,-2.3 1,-0.2 -4,-0.2 0.843 129.0 43.9 -52.4 -48.9 69.5 72.0 16.8 155 176 A C H > S+ 0 0 9 -6,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.899 111.3 49.1 -55.1 -42.8 71.4 76.6 19.2 157 178 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 -7,-0.3 -2,-0.2 0.865 106.7 54.7 -67.6 -37.7 69.9 76.9 15.7 158 179 A Q H X S+ 0 0 26 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.892 108.7 49.5 -60.9 -39.9 66.4 77.3 17.2 159 180 A A H X S+ 0 0 59 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.907 112.0 47.5 -66.4 -41.8 67.8 80.2 19.2 160 181 A L H X S+ 0 0 71 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.892 110.9 52.5 -63.4 -40.0 69.4 81.8 16.1 161 182 A D H < S+ 0 0 6 -4,-2.6 87,-0.3 1,-0.2 4,-0.3 0.924 110.7 46.7 -61.0 -48.0 66.1 81.3 14.2 162 183 A L H >< S+ 0 0 54 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.884 111.3 51.4 -62.6 -40.7 64.1 83.1 16.9 163 184 A D H 3< S+ 0 0 104 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.841 104.9 57.2 -66.3 -33.1 66.6 86.0 17.1 164 185 A A T >X S+ 0 0 3 -4,-1.8 3,-1.7 -5,-0.1 4,-0.7 0.454 75.1 121.8 -82.3 -2.3 66.5 86.5 13.3 165 186 A E T <4 S+ 0 0 60 -3,-1.0 82,-0.2 -4,-0.3 81,-0.2 -0.481 89.6 2.0 -59.7 124.8 62.7 87.0 13.3 166 187 A G T 34 S+ 0 0 51 80,-2.9 -1,-0.3 -2,-0.2 81,-0.1 0.389 113.0 92.8 78.9 -1.2 62.1 90.5 11.8 167 188 A K T <4 S- 0 0 115 -3,-1.7 -2,-0.2 79,-0.3 80,-0.1 0.522 75.0-146.4-105.0 -9.5 65.8 91.0 11.1 168 189 A H < - 0 0 134 -4,-0.7 -3,-0.1 78,-0.4 79,-0.1 0.913 28.0-152.1 45.5 60.6 66.1 89.7 7.5 169 190 A V - 0 0 20 -5,-0.4 -1,-0.1 1,-0.1 80,-0.1 -0.226 13.5 -98.7 -72.5 153.9 69.6 88.5 8.2 170 191 A P >> - 0 0 79 0, 0.0 4,-2.4 0, 0.0 3,-0.7 -0.166 40.8 -94.7 -66.9 167.0 72.2 88.1 5.5 171 192 A L H 3> S+ 0 0 50 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.848 122.4 53.7 -51.2 -50.1 73.0 84.9 3.7 172 193 A D H 3> S+ 0 0 105 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.866 113.7 42.9 -55.1 -40.2 76.0 83.9 5.9 173 194 A A H <> S+ 0 0 33 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.856 112.1 54.9 -73.9 -36.4 73.8 84.3 9.1 174 195 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.934 108.1 48.7 -59.8 -47.2 70.9 82.5 7.4 175 196 A E H X S+ 0 0 63 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.850 107.9 54.7 -63.1 -37.2 73.1 79.5 6.6 176 197 A R H X S+ 0 0 170 -4,-1.4 4,-1.7 -5,-0.2 5,-0.2 0.917 109.4 48.4 -63.4 -42.2 74.3 79.5 10.2 177 198 A I H X S+ 0 0 6 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.975 115.9 42.4 -56.7 -58.0 70.7 79.3 11.4 178 199 A H H X>S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-2.1 0.877 111.1 53.0 -64.5 -42.6 69.8 76.5 9.0 179 200 A R H <>S+ 0 0 79 -4,-2.7 5,-1.6 3,-0.2 -1,-0.2 0.883 118.0 38.6 -61.0 -39.4 72.9 74.4 9.4 180 201 A H H <5S+ 0 0 65 -4,-1.7 4,-0.3 -5,-0.2 5,-0.3 0.958 119.7 42.1 -77.0 -50.6 72.4 74.3 13.2 181 202 A K H <5S+ 0 0 24 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.838 140.6 3.1 -70.1 -29.6 68.6 74.0 13.5 182 203 A T T X5S+ 0 0 16 -4,-2.2 4,-1.3 -5,-0.3 -3,-0.2 0.721 124.8 58.7-125.2 -40.6 68.3 71.4 10.7 183 204 A G H > S+ 0 0 5 -5,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.846 112.0 53.3 -71.7 -34.8 70.5 66.5 13.3 186 207 A I H X S+ 0 0 2 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.893 109.2 49.0 -65.9 -39.7 70.6 65.3 9.7 187 208 A R H X S+ 0 0 75 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.866 107.8 56.2 -67.3 -34.2 74.3 64.9 10.0 188 209 A A H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.876 103.1 54.2 -63.3 -40.2 73.7 63.0 13.3 189 210 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.943 112.4 43.4 -55.7 -50.1 71.4 60.5 11.5 190 211 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.939 115.0 49.2 -63.3 -44.8 74.2 59.8 9.0 191 212 A R H X S+ 0 0 46 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.877 109.7 51.3 -62.4 -39.5 76.9 59.6 11.7 192 213 A L H X S+ 0 0 0 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.893 109.6 50.5 -68.5 -38.8 74.8 57.3 13.8 193 214 A G H < S+ 0 0 0 -4,-2.1 4,-0.4 -5,-0.2 -2,-0.2 0.939 115.1 43.5 -59.1 -46.6 74.3 55.0 10.9 194 215 A A H >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 7,-0.3 0.913 109.1 55.2 -66.2 -45.1 78.0 55.0 10.2 195 216 A L H >< S+ 0 0 9 -4,-3.2 3,-1.7 1,-0.3 -1,-0.2 0.821 97.8 65.7 -62.0 -29.0 79.1 54.6 13.9 196 217 A S T 3< S+ 0 0 1 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.750 98.2 54.5 -60.9 -26.4 76.9 51.5 14.0 197 218 A A T X S- 0 0 28 -3,-1.8 3,-0.7 -4,-0.4 4,-0.3 0.363 99.8-149.7 -87.7 -1.9 79.3 49.9 11.5 198 219 A G T <> + 0 0 11 -3,-1.7 4,-2.5 1,-0.2 3,-0.4 -0.392 64.5 0.3 69.1-136.6 82.4 50.6 13.7 199 220 A D H 3> S+ 0 0 125 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.866 132.7 52.5 -61.9 -41.3 85.8 51.2 12.1 200 221 A K H <> S+ 0 0 142 -3,-0.7 4,-0.8 1,-0.2 -1,-0.3 0.882 112.2 46.8 -63.0 -38.5 84.6 50.9 8.5 201 222 A G H >> S+ 0 0 0 -3,-0.4 3,-0.7 -7,-0.3 4,-0.7 0.922 109.1 54.7 -65.4 -43.7 81.9 53.4 9.2 202 223 A R H >< S+ 0 0 84 -4,-2.5 3,-0.9 -8,-0.3 -2,-0.2 0.867 103.3 55.5 -59.2 -37.8 84.3 55.8 10.9 203 224 A R H 3< S+ 0 0 170 -4,-2.0 4,-0.3 1,-0.2 -1,-0.3 0.769 107.8 49.8 -66.4 -28.4 86.6 55.7 7.9 204 225 A A H S+ 0 0 75 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.943 117.2 35.9 -51.5 -45.3 84.9 62.5 6.4 207 228 A V H > S+ 0 0 21 -3,-0.5 4,-2.0 -4,-0.3 -2,-0.2 0.898 116.1 51.5 -77.7 -41.4 83.0 61.9 3.2 208 229 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.841 106.7 57.5 -62.8 -33.1 79.6 61.1 4.7 209 230 A D H X S+ 0 0 18 -4,-2.7 4,-3.0 -5,-0.3 -1,-0.2 0.926 105.4 48.8 -61.2 -44.4 79.8 64.3 6.7 210 231 A K H X S+ 0 0 94 -4,-1.2 4,-1.7 -5,-0.2 -2,-0.2 0.914 113.9 47.1 -66.4 -39.4 80.2 66.4 3.6 211 232 A Y H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.933 114.1 47.0 -60.6 -49.2 77.2 64.6 2.1 212 233 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.882 109.0 54.7 -64.0 -41.3 75.2 65.1 5.2 213 234 A E H X S+ 0 0 49 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.891 111.5 45.0 -59.2 -42.0 76.2 68.8 5.5 214 235 A S H X S+ 0 0 8 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.933 116.6 42.5 -73.4 -44.9 74.9 69.5 2.0 215 236 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.821 112.2 56.8 -70.5 -27.2 71.6 67.6 2.2 216 237 A G H X S+ 0 0 0 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.917 111.2 40.3 -70.0 -44.4 71.0 69.0 5.7 217 238 A L H >X S+ 0 0 4 -4,-1.7 4,-2.1 -5,-0.2 3,-0.5 0.948 115.1 53.5 -66.2 -45.8 71.2 72.6 4.6 218 239 A A H 3X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.829 102.5 60.4 -56.6 -33.9 69.3 71.7 1.4 219 240 A F H 3X S+ 0 0 14 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.913 108.1 41.8 -61.6 -45.2 66.6 70.2 3.6 220 241 A Q H > - 0 0 104 67,-0.2 4,-2.9 1,-0.1 3,-0.7 -0.720 19.6-127.9 -87.4 140.4 49.5 74.0 -0.2 232 253 A T H 3> S+ 0 0 36 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.859 109.0 54.0 -54.7 -40.9 48.5 73.5 3.5 233 254 A A H 34 S+ 0 0 93 2,-0.2 -1,-0.2 1,-0.2 5,-0.1 0.788 115.1 40.5 -69.0 -26.7 46.7 70.2 2.7 234 255 A T H <4 S+ 0 0 79 -3,-0.7 -2,-0.2 3,-0.1 -1,-0.2 0.888 118.9 44.2 -84.6 -45.6 49.8 68.8 1.0 235 256 A L H < S- 0 0 17 -4,-2.9 -139,-0.4 2,-0.2 -2,-0.2 0.827 95.0-138.6 -64.4 -35.1 52.4 70.2 3.5 236 257 A G S < S+ 0 0 7 -4,-2.4 -139,-2.1 -5,-0.3 -138,-0.3 0.416 80.4 72.8 81.5 -1.7 50.3 69.2 6.5 237 258 A K S S- 0 0 44 -5,-0.2 -1,-0.2 -142,-0.2 -2,-0.2 -0.952 99.5 -74.2-139.8 159.9 51.3 72.6 8.1 238 259 A R > - 0 0 107 -144,-0.4 3,-1.2 -2,-0.3 2,-0.1 -0.329 39.6-132.9 -69.9 120.6 50.2 76.1 7.2 239 260 A Q T 3 S+ 0 0 93 1,-0.2 -11,-0.2 -2,-0.2 -12,-0.1 -0.370 92.6 26.5 -57.6 141.4 51.5 77.8 4.1 240 261 A G T 3> S+ 0 0 19 -13,-2.9 4,-1.8 -2,-0.1 -1,-0.2 0.620 78.0 131.0 76.1 13.2 52.8 81.3 4.7 241 262 A A H <> S+ 0 0 9 -3,-1.2 4,-1.2 -14,-0.2 6,-0.1 0.892 73.0 48.9 -61.7 -39.4 53.7 80.6 8.4 242 263 A D H >>S+ 0 0 21 2,-0.2 5,-2.3 1,-0.2 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0.936 120.1 33.0 -66.1 -44.3 62.5 85.7 1.7 253 274 A L H < S+ 0 0 73 -4,-2.1 -3,-0.2 1,-0.1 -1,-0.1 0.962 135.7 21.3 -71.2 -55.6 66.1 86.8 1.2 254 275 A L H < S- 0 0 29 -4,-3.1 4,-0.5 -5,-0.2 -2,-0.2 0.555 104.2-115.5 -96.8 -13.1 67.0 85.4 -2.2 255 276 A G X - 0 0 32 -4,-1.6 4,-1.6 -5,-0.5 -1,-0.2 -0.047 40.8 -73.9 82.5 162.4 63.6 84.9 -3.9 256 277 A L H > S+ 0 0 56 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.856 127.0 52.9 -63.0 -39.9 62.2 81.6 -4.9 257 278 A E H > S+ 0 0 160 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.893 111.5 42.7 -66.0 -45.3 64.4 81.0 -8.0 258 279 A Q H > S+ 0 0 114 -4,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.809 113.5 53.5 -73.1 -31.2 67.8 81.6 -6.2 259 280 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.935 108.7 49.4 -65.5 -45.8 66.7 79.5 -3.2 260 281 A R H X S+ 0 0 105 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.899 111.4 49.9 -59.1 -42.0 65.8 76.6 -5.6 261 282 A K H X S+ 0 0 95 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.856 107.8 52.3 -64.6 -41.7 69.1 76.9 -7.2 262 283 A K H X S+ 0 0 86 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 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0.931 106.7 51.0 -62.8 -46.0 79.5 64.4 -5.8 273 294 A S H >X S+ 0 0 9 -4,-2.0 3,-0.7 1,-0.2 4,-0.7 0.888 106.9 54.2 -56.0 -44.7 80.5 63.3 -2.2 274 295 A L H >X S+ 0 0 2 -4,-1.8 4,-2.3 1,-0.2 3,-0.6 0.806 96.5 66.7 -62.0 -30.6 78.7 60.0 -2.6 275 296 A K H 3X S+ 0 0 131 -4,-1.5 4,-1.4 -3,-0.5 -1,-0.2 0.875 95.7 57.0 -57.4 -37.4 80.7 59.3 -5.8 276 297 A Q H << S+ 0 0 98 -4,-0.9 4,-0.3 -3,-0.7 -1,-0.2 0.818 110.0 44.2 -61.6 -34.3 83.8 59.0 -3.6 277 298 A L H X<>S+ 0 0 0 -4,-0.7 5,-1.5 -3,-0.6 3,-1.1 0.838 107.7 56.2 -78.3 -37.6 82.0 56.3 -1.6 278 299 A A H ><5S+ 0 0 46 -4,-2.3 3,-1.3 1,-0.3 -2,-0.2 0.761 99.0 64.4 -64.6 -26.3 80.7 54.5 -4.7 279 300 A E T 3<5S+ 0 0 166 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.718 99.0 52.8 -63.7 -27.6 84.4 54.3 -5.7 280 301 A Q T < 5S- 0 0 107 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.059 126.5-102.1 -98.2 21.3 85.1 52.1 -2.7 281 302 A S T < 5S+ 0 0 119 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.770 74.7 143.1 60.5 32.2 82.3 49.7 -3.7 282 303 A L < - 0 0 34 -5,-1.5 2,-1.0 -223,-0.0 -1,-0.2 -0.846 57.0-118.7 -93.7 136.5 79.7 51.0 -1.2 283 304 A D + 0 0 111 -2,-0.4 3,-0.3 -225,-0.3 4,-0.2 -0.667 37.9 170.9 -78.4 104.6 76.1 51.1 -2.5 284 305 A T > + 0 0 7 -2,-1.0 4,-2.0 1,-0.2 5,-0.2 0.293 43.7 109.0 -96.3 10.7 75.2 54.8 -2.4 285 306 A S H > S+ 0 0 59 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.846 77.9 46.4 -63.2 -40.3 71.9 54.4 -4.3 286 307 A A H > S+ 0 0 39 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.900 113.8 50.2 -67.6 -38.1 69.5 55.0 -1.4 287 308 A L H > S+ 0 0 1 -4,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.811 111.2 47.6 -70.8 -30.6 71.5 58.0 -0.3 288 309 A E H X S+ 0 0 55 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.886 112.6 48.6 -77.2 -37.3 71.5 59.6 -3.7 289 310 A A H X S+ 0 0 30 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.876 112.8 48.8 -67.1 -37.3 67.7 59.0 -4.1 290 311 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.927 108.0 55.0 -65.9 -43.7 67.1 60.5 -0.7 291 312 A A H X S+ 0 0 0 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.912 111.2 43.9 -56.8 -45.3 69.3 63.5 -1.7 292 313 A D H >X S+ 0 0 39 -4,-2.1 4,-1.2 1,-0.2 3,-1.0 0.881 111.0 54.1 -66.6 -40.1 67.1 64.1 -4.8 293 314 A Y H 3X S+ 0 0 40 -4,-2.0 4,-2.4 1,-0.2 3,-0.3 0.865 94.3 70.2 -64.0 -35.5 63.9 63.6 -2.9 294 315 A I H 3< S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.796 114.8 25.9 -53.5 -29.6 64.9 66.2 -0.3 295 316 A I H << S+ 0 0 38 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.516 121.3 53.5-112.7 -7.1 64.5 68.9 -3.0 296 317 A Q H < S+ 0 0 132 -4,-1.2 -2,-0.2 -3,-0.3 -3,-0.2 0.630 86.6 103.0 -96.0 -19.7 61.9 67.3 -5.3 297 318 A R < - 0 0 5 -4,-2.4 -71,-0.0 -5,-0.2 -3,-0.0 -0.230 58.2-155.2 -66.9 154.2 59.4 66.6 -2.5 298 319 A N 0 0 111 -64,-0.1 -67,-0.2 -68,-0.0 -1,-0.1 0.187 360.0 360.0-115.1 13.9 56.3 68.7 -2.1 299 320 A K 0 0 105 -69,-0.1 -254,-0.1 -63,-0.0 -2,-0.1 0.258 360.0 360.0-156.8 360.0 55.9 67.9 1.6 300 !* 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 0.0 301 23 B D > 0 0 143 0, 0.0 4,-1.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 110.8 17.8 7.3 -16.0 302 24 B F H > + 0 0 43 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.903 360.0 53.7 -71.5 -43.7 18.2 10.5 -13.8 303 25 B P H > S+ 0 0 83 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.815 111.1 47.8 -58.8 -33.2 14.6 11.1 -12.7 304 26 B Q H > S+ 0 0 114 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.773 109.2 54.3 -78.0 -28.0 14.4 7.5 -11.3 305 27 B Q H X S+ 0 0 103 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.935 109.8 47.5 -64.4 -46.1 17.8 8.0 -9.6 306 28 B L H X S+ 0 0 24 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.919 114.5 45.7 -58.5 -45.8 16.4 11.1 -7.9 307 29 B E H X S+ 0 0 100 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.872 111.9 50.3 -71.0 -39.6 13.2 9.3 -6.8 308 30 B A H X S+ 0 0 55 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.862 111.1 51.6 -61.4 -38.0 15.1 6.2 -5.6 309 31 B C H X S+ 0 0 11 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.942 106.4 52.2 -66.5 -46.9 17.3 8.5 -3.6 310 32 B V H X S+ 0 0 35 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.903 112.8 46.6 -54.3 -40.7 14.3 10.3 -2.0 311 33 B K H X S+ 0 0 134 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.927 113.0 47.3 -71.7 -43.2 13.0 6.9 -1.0 312 34 B Q H X S+ 0 0 54 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.936 115.9 45.6 -59.3 -46.9 16.3 5.6 0.4 313 35 B A H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.877 111.2 51.6 -69.2 -40.1 16.8 8.9 2.3 314 36 B N H X S+ 0 0 42 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.882 110.7 48.4 -62.4 -39.6 13.3 9.0 3.7 315 37 B Q H X S+ 0 0 109 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.886 112.8 48.9 -67.1 -39.8 13.6 5.4 5.0 316 38 B A H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.958 113.1 45.9 -65.4 -50.8 17.0 6.3 6.6 317 39 B L H X S+ 0 0 1 -4,-2.9 4,-1.4 1,-0.2 3,-0.5 0.925 112.5 51.2 -55.5 -48.8 15.6 9.5 8.2 318 40 B S H X S+ 0 0 56 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.863 107.2 54.0 -59.1 -38.0 12.5 7.6 9.5 319 41 B R H < S+ 0 0 103 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.805 111.0 45.4 -65.3 -34.2 14.7 4.8 11.0 320 42 B F H < S+ 0 0 40 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.683 114.4 48.1 -83.8 -20.9 16.7 7.4 13.0 321 43 B I H >< S+ 0 0 1 -4,-1.4 3,-1.2 -5,-0.2 -2,-0.2 0.679 95.4 77.7 -88.1 -20.6 13.6 9.2 14.1 322 44 B A T 3< S+ 0 0 62 -4,-1.4 -2,-0.1 1,-0.3 -1,-0.1 0.873 91.3 48.0 -63.4 -45.6 11.8 6.0 15.2 323 45 B P T 3 S+ 0 0 108 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.532 87.4 113.6 -73.3 -6.8 13.6 5.4 18.5 324 46 B L < - 0 0 48 -3,-1.2 3,-0.3 1,-0.1 -3,-0.0 -0.398 67.3-123.7 -66.7 141.3 13.1 9.0 19.6 325 47 B P S S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 7,-0.0 -0.178 86.4 47.9 -74.2 172.9 10.7 9.6 22.6 326 48 B F S > S+ 0 0 146 1,-0.2 3,-1.0 2,-0.1 6,-0.4 0.774 72.1 177.0 63.7 31.5 7.6 11.8 22.5 327 49 B Q T 3 + 0 0 58 -3,-0.3 -1,-0.2 1,-0.2 4,-0.1 -0.311 65.8 24.3 -56.7 147.7 6.3 10.3 19.2 328 50 B N T 3 S+ 0 0 131 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.820 96.2 118.0 57.1 33.3 2.9 11.8 18.2 329 51 B T S <> S- 0 0 44 -3,-1.0 4,-2.4 1,-0.0 -1,-0.3 -0.870 79.7-103.7-115.4 160.2 3.5 15.0 20.2 330 52 B P H > S+ 0 0 69 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.838 116.1 49.5 -52.3 -43.4 3.7 18.4 18.5 331 53 B V H > S+ 0 0 40 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.922 115.4 42.1 -68.9 -42.8 7.5 18.9 18.6 332 54 B V H > S+ 0 0 6 -6,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.850 113.2 53.8 -70.6 -34.3 8.3 15.5 17.1 333 55 B E H X S+ 0 0 75 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.868 108.1 50.9 -66.1 -33.7 5.5 15.8 14.6 334 56 B T H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.2 -2,-0.2 0.908 109.0 50.6 -66.7 -44.4 7.1 19.1 13.6 335 57 B M H X S+ 0 0 9 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.898 113.6 45.1 -58.5 -41.7 10.5 17.4 13.2 336 58 B Q H X>S+ 0 0 57 -4,-2.2 4,-2.6 2,-0.2 5,-0.5 0.905 114.2 48.4 -71.1 -42.1 8.9 14.7 11.0 337 59 B Y H X5S+ 0 0 35 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.933 115.7 44.3 -61.8 -46.7 6.9 17.2 9.0 338 60 B G H <5S+ 0 0 7 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.803 122.7 35.8 -70.5 -32.0 10.0 19.4 8.5 339 61 B A H <5S+ 0 0 0 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.833 127.7 26.5 -90.4 -34.4 12.4 16.6 7.7 340 62 B L H <5S+ 0 0 26 -4,-2.6 2,-1.3 -5,-0.2 -3,-0.2 0.681 90.6 89.1-112.9 -23.4 10.3 14.1 5.7 341 63 B L S < + 0 0 4 1,-0.1 4,-2.2 -3,-0.1 5,-0.1 0.860 45.5 154.1 51.4 42.8 17.0 15.2 -1.0 346 68 B L H > + 0 0 3 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.799 67.8 56.7 -70.0 -25.0 19.8 16.4 -3.2 347 69 B R H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.955 108.0 45.3 -75.1 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60.1-105.2 -55.4 134.4 2.4 25.5 5.4 399 121 B T >> - 0 0 4 -7,-1.2 4,-2.8 1,-0.1 3,-0.7 -0.196 32.5-101.8 -60.2 159.1 5.8 26.1 7.0 400 122 B C H 3> S+ 0 0 9 1,-0.3 4,-2.9 2,-0.2 5,-0.4 0.856 122.6 51.1 -53.8 -38.8 6.5 24.4 10.3 401 123 B H H 3> S+ 0 0 21 -20,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.793 112.1 46.6 -75.6 -27.6 6.0 27.6 12.2 402 124 B V H <4 S+ 0 0 77 -3,-0.7 -2,-0.2 -11,-0.2 -1,-0.2 0.937 119.8 39.4 -71.8 -49.8 2.6 28.3 10.5 403 125 B K H < S+ 0 0 122 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.906 135.8 15.8 -66.0 -44.5 1.4 24.7 11.0 404 126 B F H < S- 0 0 41 -4,-2.9 4,-0.4 -5,-0.3 -3,-0.2 0.478 111.2-101.7-115.4 -4.5 2.8 24.0 14.6 405 127 B G X - 0 0 29 -4,-0.8 4,-1.8 -5,-0.4 -1,-0.2 -0.063 37.3 -80.1 94.9 158.6 3.6 27.5 15.9 406 128 B E H > S+ 0 0 105 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.872 126.2 53.1 -62.6 -40.9 6.9 29.4 16.3 407 129 B A H > S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.921 110.2 47.0 -64.5 -45.3 8.0 27.6 19.5 408 130 B N H > S+ 0 0 38 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.873 113.9 49.4 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B A H < S+ 0 0 5 -4,-2.7 6,-3.1 -5,-0.2 -1,-0.2 0.800 116.3 41.3 -64.5 -31.0 30.0 23.2 7.7 448 170 B S H < S+ 0 0 1 -4,-1.6 6,-1.3 -3,-0.3 -1,-0.2 0.671 108.3 63.1 -95.5 -22.2 26.8 23.9 9.6 449 171 B G S ><>S- 0 0 24 -4,-1.7 3,-1.9 4,-0.2 6,-1.7 0.237 110.9 -53.7 -92.1-149.4 27.9 26.5 12.2 450 172 B I T 3 5S+ 0 0 136 1,-0.3 -4,-0.1 4,-0.3 8,-0.1 0.797 132.8 55.4 -66.4 -28.5 29.3 30.0 12.1 451 173 B A T 3 5S+ 0 0 74 -5,-0.2 -1,-0.3 4,-0.1 2,-0.1 0.408 128.4 5.3 -81.1 4.3 32.2 29.0 9.7 452 174 B G T <>5S+ 0 0 0 -3,-1.9 4,-2.5 -7,-0.1 3,-0.3 -0.241 127.3 3.2-149.3-122.2 29.5 27.7 7.3 453 175 B M H >5S+ 0 0 4 -6,-3.1 4,-2.2 1,-0.3 -4,-0.2 0.850 128.3 43.7 -53.7 -51.0 25.7 27.6 7.1 454 176 B C H > S+ 0 0 9 -6,-1.7 4,-2.0 -3,-0.3 -1,-0.2 0.858 111.1 51.9 -64.5 -35.7 27.5 32.2 9.5 456 178 B G H X S+ 0 0 0 -4,-2.5 4,-2.5 -7,-0.4 -2,-0.2 0.881 105.0 54.2 -64.8 -40.7 26.0 32.4 6.0 457 179 B Q H X S+ 0 0 25 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.890 109.2 49.7 -60.7 -37.1 22.5 32.9 7.4 458 180 B A H X 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