==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-MAR-09 2WCX . COMPND 2 MOLECULE: RNA-DIRECTED RNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR S.DI MARCO . 512 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 11.3 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 1 0.2 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 . 14 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.5 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 2 1 0 2 1 1 1 2 2 2 0 1 2 0 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 5 0 2 2 1 2 1 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 1 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 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 S 0 0 76 0, 0.0 42,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 151.9 -0.3 33.7 35.4 2 2 A M B -A 42 0A 75 40,-0.2 40,-0.2 1,-0.1 3,-0.1 -0.541 360.0-139.2 -61.4 127.1 0.0 32.4 31.8 3 3 A S S S+ 0 0 0 38,-2.5 258,-2.9 -2,-0.3 2,-0.3 0.841 86.5 10.3 -58.5 -36.6 3.6 32.5 30.6 4 4 A Y E -B 260 0B 15 256,-0.2 2,-0.4 257,-0.1 256,-0.2 -0.990 58.7-158.5-139.0 153.7 2.3 33.6 27.3 5 5 A T E -B 259 0B 65 254,-2.3 254,-2.1 -2,-0.3 2,-0.4 -0.977 21.2-153.7-123.1 142.6 -0.9 34.9 25.6 6 6 A W E -B 258 0B 62 -2,-0.4 252,-0.3 252,-0.2 251,-0.1 -0.927 19.3-160.6-122.1 142.3 -1.2 34.6 21.9 7 7 A T - 0 0 74 250,-2.3 251,-0.1 -2,-0.4 -1,-0.1 0.634 51.7-108.9 -85.3 -24.3 -3.3 36.7 19.4 8 8 A G S S+ 0 0 58 249,-0.6 249,-0.1 1,-0.5 250,-0.1 0.082 76.9 133.1 108.5 -18.8 -3.1 34.1 16.6 9 9 A A - 0 0 27 247,-0.4 -1,-0.5 1,-0.1 2,-0.2 -0.348 60.4-109.4 -60.9 151.1 -0.8 36.1 14.5 10 10 A L - 0 0 126 -3,-0.1 2,-0.8 1,-0.1 245,-0.1 -0.473 13.6-116.0 -88.0 152.2 2.1 33.9 13.3 11 11 A I - 0 0 7 18,-0.2 21,-0.2 -2,-0.2 22,-0.1 -0.809 48.0-161.4 -80.7 121.0 5.7 33.9 14.2 12 12 A T - 0 0 12 -2,-0.8 240,-0.5 113,-0.3 115,-0.2 -0.739 14.8-120.0-112.3 149.2 7.1 34.8 10.9 13 13 A P - 0 0 53 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.351 6.2-150.4 -78.5 164.6 10.6 34.5 9.4 14 14 A C S S+ 0 0 102 1,-0.1 2,-0.3 2,-0.1 112,-0.0 0.280 79.5 18.1-113.0 7.2 12.5 37.5 8.3 15 15 A A S S- 0 0 64 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.977 101.4 -64.0-158.7 170.6 14.4 35.6 5.7 16 16 A A - 0 0 105 -2,-0.3 2,-0.3 -3,-0.1 -2,-0.1 -0.390 56.0-160.9 -54.6 135.8 14.4 32.4 3.6 17 17 A E - 0 0 56 -4,-0.1 2,-0.4 9,-0.0 11,-0.1 -0.836 5.6-139.9-116.8 166.4 14.8 29.6 6.1 18 18 A E - 0 0 43 -2,-0.3 3,-0.1 9,-0.2 -2,-0.0 -0.991 18.4-179.0-132.3 131.6 16.0 26.1 5.3 19 19 A S S S+ 0 0 42 -2,-0.4 7,-1.0 1,-0.1 2,-0.3 0.513 71.0 12.1-105.4 -4.3 14.6 22.9 6.8 20 20 A K 0 0 49 5,-0.2 5,-0.1 111,-0.0 -1,-0.1 -0.963 360.0 360.0-164.2 166.3 16.9 20.3 5.0 21 21 A L 0 0 79 3,-0.4 -2,-0.0 -2,-0.3 359,-0.0 -0.420 360.0 360.0 -63.7 360.0 20.1 20.0 2.9 22 ! 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 23 36 A M 0 0 156 0, 0.0 111,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-126.2 17.8 12.8 8.8 24 37 A V E +F 133 0C 30 109,-0.3 -3,-0.4 110,-0.1 2,-0.3 -0.845 360.0 171.3 -95.2 129.7 19.5 16.2 9.5 25 38 A Y E -F 132 0C 9 107,-2.0 107,-3.0 -2,-0.5 2,-0.4 -0.896 28.0-138.0-131.6 161.8 17.0 19.0 9.7 26 39 A A E -F 131 0C 7 -7,-1.0 105,-0.2 -2,-0.3 2,-0.1 -0.979 29.6-117.4-118.7 137.0 17.1 22.7 10.7 27 40 A T - 0 0 4 103,-2.5 2,-0.3 -2,-0.4 -9,-0.2 -0.424 38.8-179.7 -67.4 147.7 14.2 24.1 12.8 28 41 A T > - 0 0 10 101,-0.1 3,-2.1 -2,-0.1 112,-0.5 -0.896 46.4 -90.9-142.0 174.5 12.2 26.9 11.1 29 42 A S G > S+ 0 0 18 1,-0.3 3,-1.5 -2,-0.3 4,-0.4 0.724 112.3 80.8 -62.1 -17.5 9.3 29.1 11.8 30 43 A R G 3 S+ 0 0 226 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.767 97.1 43.1 -60.6 -24.1 7.0 26.5 10.3 31 44 A S G X> S+ 0 0 24 -3,-2.1 3,-1.5 1,-0.1 4,-1.3 0.491 81.2 105.1 -99.2 -1.3 7.3 24.7 13.7 32 45 A A H <> S+ 0 0 2 -3,-1.5 4,-3.0 -4,-0.3 5,-0.2 0.828 74.2 61.3 -47.8 -39.6 6.9 27.7 15.9 33 46 A G H 3> S+ 0 0 42 -4,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.867 100.8 51.0 -58.1 -40.2 3.3 26.7 16.8 34 47 A L H <> S+ 0 0 123 -3,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.899 112.0 47.6 -65.6 -38.3 4.4 23.5 18.3 35 48 A R H X S+ 0 0 62 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.947 108.5 56.3 -66.7 -43.4 6.9 25.3 20.5 36 49 A Q H X S+ 0 0 26 -4,-3.0 4,-0.8 1,-0.3 -2,-0.2 0.899 105.8 50.8 -54.4 -47.1 4.3 27.9 21.4 37 50 A K H >< S+ 0 0 176 -4,-2.2 3,-0.8 1,-0.2 -1,-0.3 0.927 111.6 46.0 -58.6 -46.7 2.0 25.2 22.7 38 51 A K H 3< S+ 0 0 81 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.898 113.0 49.3 -65.0 -39.6 4.7 23.6 24.9 39 52 A V H 3< S+ 0 0 7 -4,-2.7 2,-0.7 -5,-0.1 -1,-0.2 0.521 93.2 90.5 -82.2 0.7 5.9 26.9 26.3 40 53 A T << + 0 0 36 -4,-0.8 2,-0.3 -3,-0.8 -38,-0.1 -0.842 54.1 114.1-104.9 110.5 2.5 28.2 27.2 41 54 A F - 0 0 47 -2,-0.7 -38,-2.5 168,-0.1 2,-0.3 -0.988 63.2 -90.9-163.3 166.9 1.1 27.4 30.7 42 55 A D B -A 2 0A 104 -2,-0.3 2,-0.5 -40,-0.2 -40,-0.2 -0.636 39.9-137.1 -84.5 135.5 0.1 28.7 34.0 43 56 A R - 0 0 19 -42,-1.7 2,-0.5 -2,-0.3 167,-0.0 -0.829 14.1-166.3 -95.9 130.9 2.8 28.8 36.7 44 57 A L + 0 0 114 -2,-0.5 2,-0.4 283,-0.2 286,-0.1 -0.973 13.3 176.2-111.7 126.9 2.2 27.8 40.2 45 58 A Q + 0 0 46 -2,-0.5 2,-0.4 284,-0.1 284,-0.2 -0.990 14.0 176.0-132.9 130.0 4.8 28.8 42.7 46 59 A V - 0 0 94 282,-2.5 2,-0.2 -2,-0.4 284,-0.1 -0.959 17.3-158.0-132.0 113.5 4.9 28.3 46.5 47 60 A L - 0 0 38 -2,-0.4 2,-0.2 282,-0.1 -2,-0.0 -0.533 10.2-172.2 -89.0 153.5 8.1 29.5 48.3 48 61 A D >> - 0 0 36 -2,-0.2 4,-2.1 281,-0.0 3,-0.5 -0.781 42.3 -79.9-139.0-177.7 9.2 28.3 51.7 49 62 A D H 3> S+ 0 0 107 1,-0.2 4,-3.1 -2,-0.2 5,-0.2 0.791 122.4 58.0 -61.6 -31.1 11.8 29.0 54.3 50 63 A H H 3> S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.925 109.6 46.3 -60.1 -43.6 14.6 27.1 52.5 51 64 A Y H <> S+ 0 0 4 -3,-0.5 4,-2.3 1,-0.2 -2,-0.2 0.941 113.2 47.7 -62.0 -50.5 14.1 29.4 49.6 52 65 A R H X S+ 0 0 101 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.890 112.0 51.2 -60.2 -39.5 14.0 32.5 51.8 53 66 A D H X S+ 0 0 70 -4,-3.1 4,-1.9 2,-0.2 -1,-0.2 0.924 110.4 46.3 -65.5 -47.3 17.1 31.4 53.6 54 67 A V H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.912 111.6 53.5 -58.4 -42.9 19.2 30.8 50.5 55 68 A L H X S+ 0 0 19 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.937 106.4 52.8 -58.0 -47.7 18.0 34.1 49.0 56 69 A K H X S+ 0 0 133 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.912 109.7 47.7 -53.7 -45.4 19.1 35.9 52.1 57 70 A E H X S+ 0 0 80 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.874 110.2 52.6 -66.7 -37.0 22.6 34.4 51.8 58 71 A M H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.933 109.3 49.8 -65.2 -41.3 22.8 35.3 48.1 59 72 A K H X S+ 0 0 69 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.900 104.8 57.1 -65.6 -39.4 21.9 38.9 48.9 60 73 A A H < S+ 0 0 65 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.913 111.0 44.2 -58.2 -39.9 24.6 39.2 51.6 61 74 A K H >< S+ 0 0 89 -4,-1.6 3,-2.1 1,-0.2 -2,-0.2 0.961 111.6 52.6 -70.6 -41.4 27.2 38.2 49.0 62 75 A A H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.3 165,-0.2 0.844 97.8 66.8 -65.0 -26.1 25.7 40.5 46.5 63 76 A S T 3< S+ 0 0 70 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.679 93.1 60.9 -73.3 -10.9 25.9 43.3 49.0 64 77 A T T < S+ 0 0 107 -3,-2.1 2,-0.4 -4,-0.4 -1,-0.3 0.434 87.8 94.5 -91.1 4.8 29.7 43.1 48.8 65 78 A V < - 0 0 8 -3,-2.0 162,-2.7 -4,-0.2 2,-0.5 -0.800 55.0-165.1-101.5 132.8 29.8 43.9 45.1 66 79 A K B -g 227 0D 143 -2,-0.4 2,-0.3 160,-0.2 162,-0.2 -0.970 14.9-178.7-109.1 135.2 30.3 47.4 43.6 67 80 A A - 0 0 4 160,-2.2 162,-0.4 -2,-0.5 2,-0.2 -0.970 12.0-146.2-134.4 148.7 29.3 47.9 39.9 68 81 A K - 0 0 108 -2,-0.3 92,-0.4 160,-0.1 2,-0.3 -0.646 21.8-107.0-107.8 163.6 29.5 50.9 37.6 69 82 A L - 0 0 43 -2,-0.2 2,-0.3 91,-0.1 88,-0.2 -0.672 32.5-128.7 -78.6 144.8 27.4 52.2 34.8 70 83 A L - 0 0 12 86,-2.2 2,-0.1 -2,-0.3 89,-0.0 -0.723 25.8-117.4 -83.0 142.7 29.0 51.8 31.3 71 84 A S > - 0 0 47 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.356 29.8-104.5 -68.7 164.6 29.0 55.0 29.3 72 85 A V H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.936 123.7 53.0 -54.2 -44.3 27.1 54.9 26.1 73 86 A E H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 107.6 48.4 -63.6 -44.5 30.4 54.6 24.2 74 87 A E H > S+ 0 0 71 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.922 112.7 48.5 -58.9 -43.9 31.6 51.6 26.2 75 88 A A H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.859 110.5 52.6 -66.8 -35.4 28.2 49.9 25.7 76 89 A C H >< S+ 0 0 0 -4,-2.4 3,-1.8 -5,-0.2 -2,-0.2 0.954 108.8 49.3 -60.7 -46.3 28.4 50.7 21.9 77 90 A K H 3< S+ 0 0 135 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.772 110.2 51.3 -70.6 -25.5 31.9 49.2 21.6 78 91 A L T 3< S+ 0 0 77 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.366 82.7 112.8 -93.4 3.6 30.8 46.0 23.4 79 92 A T S < S- 0 0 5 -3,-1.8 -3,-0.0 -5,-0.1 73,-0.0 -0.633 78.1-107.8 -77.2 131.7 27.8 45.5 21.2 80 93 A P > - 0 0 61 0, 0.0 3,-1.3 0, 0.0 16,-0.1 -0.318 24.2-124.0 -59.5 139.5 28.2 42.3 19.0 81 94 A P T 3 S+ 0 0 51 0, 0.0 12,-0.1 0, 0.0 11,-0.1 0.752 102.9 40.0 -59.0 -30.8 28.9 43.0 15.3 82 95 A H T 3 S+ 0 0 109 10,-0.1 3,-0.1 9,-0.1 -3,-0.0 0.244 80.2 134.0-108.4 24.1 26.1 41.1 13.7 83 96 A S S < S- 0 0 28 -3,-1.3 9,-0.6 1,-0.2 65,-0.0 -0.359 70.2 -79.1 -72.6 153.6 23.2 41.9 16.2 84 97 A A - 0 0 47 7,-0.1 64,-0.2 1,-0.1 -1,-0.2 -0.161 51.8-111.7 -54.0 134.0 19.9 42.8 14.6 85 98 A K - 0 0 160 -3,-0.1 6,-0.3 1,-0.1 63,-0.2 -0.118 35.1-100.1 -62.9 159.2 19.6 46.4 13.5 86 99 A S > - 0 0 3 4,-2.4 3,-0.6 61,-0.1 4,-0.2 -0.433 14.6-129.8 -75.4 155.6 17.3 48.9 15.2 87 100 A K T 3 S+ 0 0 120 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.616 102.1 73.9 -74.3 -13.8 13.9 49.9 13.9 88 101 A F T 3 S- 0 0 123 2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.044 121.9 -85.7 -96.9 25.2 15.1 53.5 14.3 89 102 A G S < S+ 0 0 43 -3,-0.6 2,-0.3 1,-0.2 -2,-0.1 0.677 94.9 80.3 90.4 22.9 17.4 53.6 11.4 90 103 A Y - 0 0 5 -4,-0.2 -4,-2.4 11,-0.1 -1,-0.2 -0.973 51.8-153.4-150.5 163.2 20.8 52.3 12.4 91 104 A G > - 0 0 11 -2,-0.3 4,-2.0 -6,-0.3 3,-0.3 -0.597 42.0 -75.5-125.5-170.9 22.5 49.0 12.9 92 105 A A H > S+ 0 0 7 -9,-0.6 4,-3.1 1,-0.3 5,-0.2 0.827 125.2 53.5 -56.2 -40.1 25.3 47.3 14.9 93 106 A K H > S+ 0 0 164 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.875 108.2 50.3 -69.0 -36.2 28.0 48.7 12.7 94 107 A D H 4>S+ 0 0 65 -3,-0.3 5,-2.6 2,-0.2 -2,-0.2 0.895 112.8 48.1 -67.2 -36.2 26.7 52.2 13.3 95 108 A V H ><5S+ 0 0 0 -4,-2.0 3,-1.8 3,-0.2 -2,-0.2 0.952 111.8 48.7 -63.9 -52.2 26.6 51.5 17.1 96 109 A R H 3<5S+ 0 0 102 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.821 113.1 47.3 -59.9 -32.2 30.2 50.1 17.1 97 110 A N T 3<5S- 0 0 118 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.245 112.8-117.4 -97.1 15.8 31.5 53.1 15.1 98 111 A L T < 5 - 0 0 65 -3,-1.8 -3,-0.2 1,-0.2 2,-0.2 0.881 41.1-172.9 57.0 48.7 29.8 55.6 17.4 99 112 A S >< - 0 0 35 -5,-2.6 4,-2.8 1,-0.1 5,-0.2 -0.502 30.0-127.1 -73.6 141.9 27.5 57.1 14.8 100 113 A S H > S+ 0 0 94 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.838 107.9 59.4 -56.9 -38.8 25.6 60.2 16.0 101 114 A K H > S+ 0 0 122 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.956 112.8 37.0 -56.1 -49.1 22.3 58.6 14.8 102 115 A A H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.942 116.9 51.1 -68.3 -50.1 22.8 55.6 17.1 103 116 A V H X S+ 0 0 21 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.924 112.1 47.0 -57.7 -47.9 24.4 57.5 20.0 104 117 A N H X S+ 0 0 110 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.919 113.3 48.5 -63.8 -40.8 21.6 60.1 20.1 105 118 A H H X S+ 0 0 38 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.960 111.5 49.8 -63.8 -43.4 18.9 57.4 19.9 106 119 A I H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.931 109.4 51.5 -57.4 -47.3 20.6 55.4 22.7 107 120 A H H X S+ 0 0 91 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.882 110.7 49.1 -56.6 -39.7 20.8 58.5 24.9 108 121 A S H X S+ 0 0 61 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.892 109.9 50.7 -72.3 -35.6 17.1 59.1 24.3 109 122 A V H X S+ 0 0 19 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.936 110.1 51.2 -60.7 -44.8 16.2 55.5 25.2 110 123 A W H X S+ 0 0 16 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.941 109.9 48.3 -59.0 -48.9 18.3 55.9 28.4 111 124 A K H X S+ 0 0 112 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.925 109.6 53.1 -59.4 -40.9 16.4 59.1 29.3 112 125 A D H X S+ 0 0 68 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.922 107.9 51.0 -60.0 -42.1 13.1 57.3 28.6 113 126 A L H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.888 112.7 46.4 -63.9 -37.3 14.1 54.4 31.0 114 127 A L H < S+ 0 0 34 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.828 119.2 39.8 -72.0 -33.4 14.9 56.9 33.7 115 128 A E H < S+ 0 0 135 -4,-2.0 2,-0.4 1,-0.2 -2,-0.2 0.667 119.0 43.4 -93.7 -17.7 11.8 59.0 33.3 116 129 A D < + 0 0 41 -4,-2.4 -1,-0.2 -5,-0.2 126,-0.1 -0.977 52.8 168.9-131.9 118.2 9.2 56.1 32.7 117 130 A T S S+ 0 0 40 -2,-0.4 124,-0.1 -3,-0.1 -1,-0.1 0.219 73.1 45.9-113.3 21.9 9.3 53.0 34.8 118 131 A V S S+ 0 0 100 124,-0.1 3,-0.1 123,-0.1 -1,-0.1 0.686 71.4 102.8-134.1 -35.3 6.1 51.4 33.8 119 132 A T S S- 0 0 68 1,-0.1 -3,-0.1 128,-0.0 123,-0.1 -0.440 74.0-117.3 -65.8 121.3 5.4 51.3 30.0 120 133 A P - 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0 0 41 -3,-2.0 3,-0.0 -4,-0.2 -3,-0.0 -0.754 64.5-146.9 -97.9 135.6 35.1 27.6 33.6 179 196 A S > - 0 0 24 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.342 49.7 -91.2 -72.6 170.0 36.8 26.5 30.4 180 197 A P H > S+ 0 0 9 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.940 129.1 45.5 -52.1 -46.5 36.1 22.8 29.5 181 198 A G H > S+ 0 0 35 268,-0.4 4,-2.6 1,-0.2 5,-0.1 0.867 113.1 49.6 -69.0 -33.7 39.1 21.6 31.4 182 199 A Q H > S+ 0 0 89 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.854 108.8 52.8 -70.7 -39.2 38.4 23.8 34.4 183 200 A R H X S+ 0 0 15 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.917 111.2 47.0 -59.8 -46.1 34.9 22.5 34.5 184 201 A V H X S+ 0 0 3 -4,-2.3 4,-3.4 -5,-0.2 5,-0.3 0.935 109.8 54.0 -59.9 -45.1 36.2 19.0 34.5 185 202 A E H X S+ 0 0 117 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.888 109.9 46.7 -58.8 -45.2 38.7 19.8 37.2 186 203 A F H X S+ 0 0 31 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.930 115.0 46.6 -62.5 -45.1 35.9 21.2 39.4 187 204 A L H X S+ 0 0 11 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.949 115.4 45.0 -65.1 -47.0 33.7 18.2 38.8 188 205 A V H X S+ 0 0 9 -4,-3.4 4,-2.7 2,-0.2 5,-0.2 0.933 114.4 47.7 -62.5 -44.8 36.5 15.6 39.3 189 206 A N H X S+ 0 0 96 -4,-2.3 4,-0.9 -5,-0.3 -1,-0.2 0.883 113.7 48.6 -66.5 -40.6 37.8 17.3 42.5 190 207 A T H >< S+ 0 0 12 -4,-2.2 3,-0.6 -5,-0.2 4,-0.5 0.946 113.0 47.1 -59.1 -51.4 34.3 17.5 43.8 191 208 A W H >< S+ 0 0 36 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.915 112.5 48.6 -56.5 -49.6 33.6 13.9 43.1 192 209 A K H 3< S+ 0 0 130 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.669 102.4 65.7 -67.9 -17.9 36.8 12.6 44.6 193 210 A S T << S+ 0 0 71 -4,-0.9 2,-0.3 -3,-0.6 -1,-0.3 0.638 86.2 83.2 -77.8 -17.5 36.2 14.7 47.7 194 211 A K S < S- 0 0 12 -3,-1.3 114,-0.1 -4,-0.5 99,-0.0 -0.632 74.8-139.8 -89.4 146.9 33.2 12.7 48.7 195 212 A K S S+ 0 0 183 1,-0.3 -1,-0.1 -2,-0.3 113,-0.1 0.877 100.0 8.4 -73.8 -37.3 33.6 9.6 50.6 196 213 A N S S- 0 0 110 2,-0.1 113,-3.4 113,-0.0 -1,-0.3 -0.769 92.8-153.0-141.1 88.6 30.8 7.7 48.7 197 214 A P E +I 308 0E 29 0, 0.0 2,-0.3 0, 0.0 111,-0.2 -0.449 19.9 175.0 -70.5 144.9 29.9 10.1 45.9 198 215 A M E +I 307 0E 0 109,-1.9 109,-2.8 -2,-0.1 2,-0.3 -0.969 11.4 176.8-138.3 143.3 26.4 10.2 44.2 199 216 A G E -IJ 306 340E 0 141,-2.2 141,-2.9 -2,-0.3 2,-0.3 -0.959 9.7-176.4-144.9 164.1 25.6 12.8 41.5 200 217 A F E -I 305 0E 1 105,-2.1 105,-2.6 -2,-0.3 2,-0.4 -0.987 19.5-132.4-156.6 155.1 22.8 13.8 39.2 201 218 A S E -I 304 0E 44 137,-0.3 2,-0.4 -2,-0.3 137,-0.3 -0.841 20.3-169.4-104.3 151.4 21.9 16.2 36.5 202 219 A Y E +I 303 0E 3 101,-2.4 101,-2.7 -2,-0.4 2,-0.3 -0.995 6.7 179.1-138.6 142.4 18.7 18.2 36.4 203 220 A D E -I 302 0E 63 -2,-0.4 131,-1.8 132,-0.3 132,-0.5 -0.988 26.4-124.9-142.6 135.4 17.3 20.2 33.6 204 221 A T B > -L 333 0F 3 97,-0.5 3,-0.8 -2,-0.3 2,-0.6 -0.541 22.0-115.7 -87.3 139.4 14.0 22.1 33.8 205 222 A R T 3 S- 0 0 99 127,-2.7 5,-0.1 1,-0.3 -1,-0.1 -0.733 96.1 -13.7 -75.3 122.9 11.3 21.6 31.3 206 223 A C T >> S- 0 0 11 -2,-0.6 4,-1.6 3,-0.1 3,-0.8 0.921 80.2-175.2 45.7 58.1 10.8 25.0 29.5 207 224 A F H <> S+ 0 0 11 -3,-0.8 4,-0.8 1,-0.3 3,-0.3 0.854 75.1 53.9 -50.7 -47.4 12.8 26.9 32.0 208 225 A D H >4 S+ 0 0 43 1,-0.3 55,-1.9 2,-0.2 3,-0.9 0.899 109.1 50.7 -57.7 -37.1 12.3 30.4 30.6 209 226 A S H <4 S+ 0 0 2 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.814 106.1 56.4 -73.1 -27.4 8.5 29.8 30.7 210 227 A T H 3< S+ 0 0 0 -4,-1.6 2,-0.5 -3,-0.3 -1,-0.3 0.653 80.6 102.5 -78.6 -14.0 8.8 28.7 34.3 211 228 A V << - 0 0 0 -3,-0.9 52,-0.3 -4,-0.8 2,-0.1 -0.603 64.4-153.0 -73.9 122.3 10.4 31.9 35.4 212 229 A T > - 0 0 11 -2,-0.5 4,-2.0 50,-0.1 5,-0.2 -0.293 28.1-104.8 -91.5 174.6 7.8 33.9 37.2 213 230 A E H > S+ 0 0 94 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.925 125.0 50.3 -59.5 -46.5 7.2 37.7 37.7 214 231 A N H > S+ 0 0 73 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.901 106.6 54.0 -59.1 -43.8 8.3 37.1 41.3 215 232 A D H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.919 110.7 47.5 -55.5 -43.6 11.4 35.3 40.2 216 233 A I H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.875 112.4 48.5 -70.7 -35.0 12.3 38.2 38.0 217 234 A R H X S+ 0 0 84 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.863 109.4 52.4 -71.7 -30.9 11.6 40.7 40.8 218 235 A V H X S+ 0 0 17 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.929 108.1 52.0 -70.4 -41.1 13.7 38.6 43.2 219 236 A E H X S+ 0 0 5 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.943 108.9 50.5 -56.1 -47.8 16.6 38.7 40.7 220 237 A E H X S+ 0 0 34 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.940 106.7 54.3 -57.9 -40.1 16.2 42.5 40.5 221 238 A S H < S+ 0 0 30 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.856 107.0 51.5 -69.3 -29.7 16.4 42.7 44.3 222 239 A I H >X S+ 0 0 3 -4,-2.1 3,-1.4 2,-0.2 4,-0.5 0.955 110.2 48.5 -65.0 -47.7 19.7 40.7 44.2 223 240 A Y H >< S+ 0 0 3 -4,-2.4 3,-1.8 1,-0.3 -2,-0.2 0.920 107.2 56.4 -58.0 -43.1 21.1 43.3 41.6 224 241 A Q T 3< S+ 0 0 43 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.544 91.2 72.7 -70.1 -10.5 19.9 46.2 43.9 225 242 A C T <4 S+ 0 0 31 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.766 83.1 92.6 -68.0 -26.2 22.0 44.7 46.8 226 243 A C S << S- 0 0 0 -3,-1.8 2,-0.9 -4,-0.5 -160,-0.2 -0.222 95.0-106.6 -64.4 155.5 25.0 45.9 44.9 227 244 A D B +g 66 0D 86 -162,-2.7 -160,-2.2 -165,-0.2 2,-0.3 -0.846 60.8 165.1 -81.2 107.1 26.5 49.2 45.5 228 245 A L - 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0 0 54 -2,-0.2 41,-0.2 41,-0.1 0, 0.0 -0.757 40.4 -90.9-152.3-169.1 26.8 29.7 8.0 387 404 A P S S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.810 112.6 46.7 -86.8 -36.3 27.9 32.3 10.5 388 405 A V S S- 0 0 58 40,-0.2 41,-1.7 46,-0.1 5,-0.2 0.772 79.8-152.1 -79.1 -29.5 28.9 30.1 13.6 389 406 A N >> - 0 0 20 39,-0.2 4,-2.0 1,-0.1 3,-0.7 0.989 14.0-170.3 47.7 65.9 31.0 27.4 11.8 390 407 A S H 3> S+ 0 0 16 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.824 76.4 66.0 -57.2 -26.7 29.9 25.0 14.6 391 408 A W H 3> S+ 0 0 11 1,-0.2 4,-2.1 -14,-0.2 -1,-0.2 0.911 104.9 41.2 -59.6 -45.7 32.5 22.5 13.2 392 409 A L H <> S+ 0 0 0 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.868 113.2 53.9 -70.7 -42.6 35.4 24.7 14.1 393 410 A G H X S+ 0 0 8 -4,-2.0 4,-2.9 -5,-0.2 5,-0.3 0.890 110.8 47.2 -57.4 -45.0 33.9 25.7 17.4 394 411 A N H X S+ 0 0 20 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.901 108.3 54.5 -64.6 -41.8 33.5 22.0 18.3 395 412 A I H < S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.876 115.0 41.5 -56.3 -39.4 37.1 21.2 17.2 396 413 A I H >< S+ 0 0 5 -4,-1.8 3,-1.1 2,-0.2 -2,-0.2 0.981 120.1 39.1 -74.7 -53.3 38.2 24.0 19.5 397 414 A M H 3< S+ 0 0 48 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.826 128.7 34.3 -66.0 -32.7 36.0 23.3 22.6 398 415 A Y T >< S+ 0 0 16 -4,-2.7 3,-2.5 -5,-0.3 6,-0.4 0.112 76.1 131.5-116.2 28.1 36.3 19.4 22.2 399 416 A A T < S+ 0 0 1 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.745 70.2 54.6 -47.4 -40.5 39.9 19.2 20.9 400 417 A P T 3 S+ 0 0 8 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.636 87.3 105.0 -76.8 -7.1 40.9 16.5 23.3 401 418 A T S <> S- 0 0 0 -3,-2.5 4,-1.7 -34,-0.2 5,-0.2 -0.306 75.9-127.9 -77.5 153.0 38.1 14.2 22.3 402 419 A L H > S+ 0 0 8 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.907 108.8 47.7 -61.0 -42.4 38.6 11.1 20.2 403 420 A W H >>S+ 0 0 0 2,-0.2 5,-2.0 1,-0.2 4,-1.8 0.854 110.2 48.4 -72.8 -37.0 35.8 12.2 17.8 404 421 A A H 4>S+ 0 0 0 -6,-0.4 5,-3.0 3,-0.2 6,-0.2 0.886 119.0 42.0 -66.1 -39.7 36.9 15.8 17.3 405 422 A R H <>S+ 0 0 10 -4,-1.7 5,-0.6 -7,-0.2 -2,-0.2 0.937 123.4 34.5 -72.3 -46.4 40.5 14.7 16.7 406 423 A M H <5S+ 0 0 31 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.861 134.7 16.9 -84.4 -35.7 39.8 11.6 14.4 407 424 A I T X5S+ 0 0 8 -4,-1.8 4,-3.0 -5,-0.3 5,-0.4 0.886 126.3 39.5-105.0 -59.5 36.8 12.8 12.6 408 425 A L H >S+ 0 0 15 -4,-2.1 5,-1.9 1,-0.2 4,-0.6 0.891 111.4 48.1 -67.2 -38.2 40.7 22.9 3.4 417 434 A L H ><5S+ 0 0 9 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.904 111.0 50.2 -66.2 -43.0 43.6 21.2 1.7 418 435 A A H 3<5S+ 0 0 73 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.784 117.6 39.8 -67.0 -30.4 41.5 20.2 -1.3 419 436 A Q H 3<5S- 0 0 119 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.416 105.9-124.2-101.4 -0.1 40.2 23.7 -1.7 420 437 A E T <<5S+ 0 0 183 -3,-0.7 3,-0.4 -4,-0.6 -3,-0.2 0.699 71.8 128.0 63.7 29.2 43.5 25.4 -0.9 421 438 A Q > < + 0 0 67 -5,-1.9 3,-1.1 -6,-0.2 -4,-0.2 0.001 17.4 120.5-108.3 31.5 41.9 27.4 1.9 422 439 A L T 3 S+ 0 0 9 -6,-0.4 18,-0.7 1,-0.3 -1,-0.2 0.808 81.3 45.8 -60.4 -30.3 44.3 26.7 4.7 423 440 A E T 3 S+ 0 0 154 -3,-0.4 2,-0.6 16,-0.1 -1,-0.3 0.457 87.0 105.5 -99.3 -0.1 44.9 30.4 5.0 424 441 A K < - 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0 0 76 -2,-0.4 3,-2.5 -13,-0.3 4,-0.2 -0.873 20.3-135.3 -94.6 130.7 42.5 31.0 10.8 439 456 A P G > S+ 0 0 1 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.796 103.1 61.3 -56.3 -34.3 42.8 27.3 10.6 440 457 A L G 3 S+ 0 0 10 -18,-0.7 4,-0.2 1,-0.3 -17,-0.1 0.611 94.8 64.2 -70.0 -11.4 46.6 27.5 10.9 441 458 A D G <> S+ 0 0 52 -3,-2.5 4,-2.1 1,-0.2 3,-0.3 0.478 75.4 96.2 -84.4 -3.3 46.2 29.1 14.3 442 459 A L H <> S+ 0 0 1 -3,-1.8 4,-3.0 -4,-0.2 5,-0.3 0.852 73.8 58.8 -61.7 -40.8 44.5 26.0 15.8 443 460 A P H > S+ 0 0 6 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.940 111.5 42.6 -56.0 -43.1 47.5 24.5 17.4 444 461 A Q H > S+ 0 0 79 -3,-0.3 4,-2.4 -4,-0.2 -2,-0.2 0.883 114.2 50.7 -66.7 -44.2 48.1 27.6 19.5 445 462 A I H X S+ 0 0 25 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.931 113.4 44.2 -58.9 -47.8 44.4 28.0 20.3 446 463 A I H X>S+ 0 0 1 -4,-3.0 4,-3.3 2,-0.2 5,-0.6 0.928 111.9 53.7 -66.6 -39.6 44.1 24.4 21.5 447 464 A E H X5S+ 0 0 89 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.943 111.7 45.1 -61.5 -43.3 47.3 24.6 23.5 448 465 A R H <5S+ 0 0 194 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.896 120.3 38.9 -66.3 -42.0 46.1 27.6 25.3 449 466 A L H <5S+ 0 0 40 -4,-2.2 -268,-0.4 -5,-0.2 -2,-0.2 0.859 136.2 12.8 -81.0 -33.4 42.7 26.3 26.0 450 467 A H H <5S- 0 0 34 -4,-3.3 -3,-0.2 -5,-0.2 3,-0.2 0.497 100.6-114.8-124.1 -13.1 43.5 22.7 26.8 451 468 A G ><< - 0 0 29 -4,-2.1 3,-1.8 -5,-0.6 4,-0.1 0.078 42.0 -71.7 90.5 158.7 47.2 22.3 27.2 452 469 A L G > S+ 0 0 97 1,-0.3 3,-2.1 2,-0.2 4,-0.3 0.737 120.7 77.2 -60.7 -23.2 49.7 20.4 25.1 453 470 A S G >> S+ 0 0 41 1,-0.3 3,-1.8 2,-0.2 4,-0.9 0.771 76.7 76.7 -64.9 -15.9 48.4 17.1 26.4 454 471 A A G <4 S+ 0 0 3 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.738 93.9 49.3 -63.4 -17.9 45.5 17.6 24.0 455 472 A F G <4 S+ 0 0 13 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.470 116.8 42.7 -98.8 0.1 47.8 16.5 21.1 456 473 A S T <4 S+ 0 0 27 -3,-1.8 -2,-0.2 -4,-0.3 -1,-0.1 0.333 74.8 130.6-128.4 4.0 48.9 13.4 23.0 457 474 A L < + 0 0 7 -4,-0.9 2,-0.3 -99,-0.1 -99,-0.2 -0.369 25.2 152.4 -70.0 139.8 45.9 11.8 24.7 458 475 A H B +O 357 0H 83 -101,-2.9 -101,-3.0 1,-0.2 -2,-0.1 -0.864 38.3 61.5-149.4-173.9 45.5 8.1 24.1 459 476 A S - 0 0 74 -2,-0.3 -1,-0.2 -103,-0.2 -101,-0.1 0.950 68.8-167.6 48.1 57.7 44.0 5.0 25.8 460 477 A Y - 0 0 33 -104,-0.2 -104,-0.2 1,-0.1 -1,-0.1 -0.231 30.7 -86.1 -64.5 159.4 40.5 6.4 25.8 461 478 A S > - 0 0 14 -106,-1.0 4,-2.4 1,-0.1 5,-0.2 -0.382 31.9-124.5 -71.6 148.0 37.9 4.7 27.9 462 479 A P H > S+ 0 0 106 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.914 109.6 55.5 -60.2 -43.5 36.1 1.8 26.3 463 480 A G H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.909 110.1 45.2 -56.7 -43.1 32.7 3.3 26.9 464 481 A E H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.902 112.2 51.1 -71.7 -39.8 33.7 6.5 25.1 465 482 A I H X S+ 0 0 69 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.956 111.6 47.9 -60.9 -43.5 35.3 4.7 22.2 466 483 A N H X S+ 0 0 94 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.857 108.3 54.6 -68.9 -33.8 32.1 2.5 21.7 467 484 A R H X S+ 0 0 60 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.953 110.5 46.1 -62.8 -46.1 29.9 5.6 21.8 468 485 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.957 114.4 48.1 -61.2 -50.3 31.9 7.2 19.0 469 486 A A H X S+ 0 0 31 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.873 112.2 49.4 -55.4 -44.1 31.8 3.9 17.0 470 487 A S H X S+ 0 0 40 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.849 109.8 50.2 -62.6 -42.8 28.1 3.5 17.6 471 488 A C H X S+ 0 0 5 -4,-2.3 4,-1.9 -5,-0.2 6,-0.2 0.888 109.0 51.2 -67.5 -40.6 27.3 6.9 16.5 472 489 A L H X>S+ 0 0 3 -4,-2.3 5,-2.3 -5,-0.2 4,-0.8 0.938 112.6 47.5 -59.1 -44.9 29.3 6.6 13.3 473 490 A R H ><5S+ 0 0 163 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.940 111.7 50.4 -59.5 -52.2 27.4 3.3 12.5 474 491 A K H 3<5S+ 0 0 127 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.844 116.5 41.0 -54.8 -35.3 24.1 5.0 13.2 475 492 A L H 3<5S- 0 0 55 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.508 108.4-119.1 -96.0 -4.0 24.8 7.9 11.0 476 493 A G T <<5 + 0 0 68 -3,-1.1 -3,-0.2 -4,-0.8 -4,-0.1 0.771 63.7 143.6 67.5 25.5 26.5 6.0 8.1 477 494 A V < - 0 0 37 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.682 60.8 -88.0 -90.4 152.2 29.8 7.8 8.5 478 495 A P - 0 0 42 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.221 49.6-103.4 -57.9 150.5 32.9 5.8 7.9 479 496 A P >> - 0 0 72 0, 0.0 4,-1.4 0, 0.0 3,-1.4 -0.208 36.2 -93.4 -73.4 171.5 34.4 3.9 10.9 480 497 A L H 3> S+ 0 0 35 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.805 119.8 62.7 -57.8 -38.1 37.4 4.9 12.9 481 498 A R H 3> S+ 0 0 201 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.894 103.9 49.6 -56.3 -36.6 39.9 2.9 10.9 482 499 A V H <> S+ 0 0 47 -3,-1.4 4,-2.9 1,-0.2 -1,-0.2 0.912 108.6 52.7 -68.2 -42.5 39.0 5.0 7.8 483 500 A W H X S+ 0 0 9 -4,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.872 106.7 52.4 -61.1 -40.4 39.5 8.2 9.6 484 501 A R H X S+ 0 0 119 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.940 110.7 47.4 -59.5 -44.3 42.9 7.2 10.8 485 502 A H H X S+ 0 0 129 -4,-1.8 4,-1.8 2,-0.2 3,-0.2 0.967 113.3 49.1 -60.4 -48.9 43.9 6.4 7.1 486 503 A R H X S+ 0 0 100 -4,-2.9 4,-2.8 1,-0.3 -1,-0.2 0.909 109.4 52.5 -59.3 -43.0 42.5 9.7 6.0 487 504 A A H X S+ 0 0 0 -4,-2.7 4,-3.3 2,-0.2 -1,-0.3 0.870 103.4 55.9 -63.3 -39.9 44.4 11.5 8.7 488 505 A R H X S+ 0 0 107 -4,-2.0 4,-1.8 -3,-0.2 -1,-0.2 0.922 111.0 46.0 -60.8 -39.6 47.7 10.0 7.8 489 506 A S H X S+ 0 0 69 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.937 112.3 49.5 -66.0 -46.6 47.2 11.4 4.3 490 507 A V H X S+ 0 0 7 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.931 111.1 50.8 -57.4 -44.6 46.2 14.8 5.7 491 508 A R H X S+ 0 0 51 -4,-3.3 4,-2.8 2,-0.2 -1,-0.2 0.885 108.6 50.2 -61.7 -42.3 49.2 14.9 7.9 492 509 A A H X S+ 0 0 49 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.938 111.7 49.3 -62.8 -47.4 51.7 14.0 5.1 493 510 A R H X S+ 0 0 110 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.803 112.2 47.2 -56.8 -40.7 50.2 16.7 3.0 494 511 A L H >< S+ 0 0 0 -4,-1.7 3,-0.9 -5,-0.2 4,-0.4 0.932 111.7 50.2 -68.6 -44.7 50.4 19.3 5.7 495 512 A L H >< S+ 0 0 71 -4,-2.8 3,-1.3 1,-0.3 -2,-0.2 0.839 104.9 59.9 -60.5 -36.0 54.0 18.3 6.5 496 513 A S H 3< S+ 0 0 103 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.766 100.5 55.5 -64.8 -30.2 54.7 18.7 2.8 497 514 A Q T << S- 0 0 103 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.569 93.3-161.1 -81.8 -9.1 53.7 22.3 2.9 498 515 A G X> + 0 0 31 -3,-1.3 3,-1.2 -4,-0.4 4,-1.1 0.116 50.8 63.7 54.8-171.9 56.1 23.2 5.7 499 516 A G H 3> S- 0 0 62 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 -0.324 122.4 -19.6 66.6-142.9 55.8 26.3 7.8 500 517 A R H 3> S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.697 135.5 64.4 -72.6 -25.1 52.7 26.5 9.9 501 518 A A H <> S+ 0 0 4 -3,-1.2 4,-1.9 1,-0.2 -2,-0.2 0.901 104.1 48.1 -63.9 -40.4 50.9 23.9 7.8 502 519 A A H X S+ 0 0 20 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.825 105.4 57.1 -68.9 -36.2 53.5 21.5 9.0 503 520 A T H X S+ 0 0 50 -4,-1.1 4,-2.6 2,-0.2 5,-0.4 0.926 107.1 50.5 -60.1 -40.6 53.0 22.7 12.6 504 521 A C H X>S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 5,-0.7 0.932 109.7 49.1 -62.8 -47.2 49.4 21.7 12.2 505 522 A G H X5S+ 0 0 0 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.908 113.9 47.2 -54.9 -44.0 50.3 18.3 10.8 506 523 A K H <5S+ 0 0 122 -4,-2.4 4,-0.3 3,-0.1 -2,-0.2 0.902 124.5 27.1 -67.7 -47.1 52.7 17.7 13.7 507 524 A Y H ><5S+ 0 0 82 -4,-2.6 3,-0.6 2,-0.2 4,-0.3 0.945 125.8 41.1 -85.6 -52.9 50.4 18.8 16.5 508 525 A L H 3<5S+ 0 0 2 -4,-1.8 -3,-0.2 -5,-0.4 3,-0.2 0.789 127.3 32.5 -67.0 -27.8 46.9 18.1 15.3 509 526 A F T >X