==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-JAN-12 4ADP . COMPND 2 MOLECULE: RNA-DIRECTED RNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR N.SCRIMA,S.BRESSANELLI . 564 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23511.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 390 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 10.6 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 2 0.4 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 . 24 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 3 2 1 0 2 1 1 1 2 1 3 0 1 2 0 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 PARALLEL BRIDGES PER LADDER . 7 0 2 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 3 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 62 0, 0.0 55,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 167.6 66.3 37.1 30.1 2 2 A M B -A 55 0A 85 53,-0.2 53,-0.2 1,-0.1 3,-0.1 -0.644 360.0-134.1 -81.7 137.4 63.7 37.1 27.3 3 3 A S S S+ 0 0 0 51,-2.4 275,-2.7 -2,-0.3 2,-0.3 0.875 88.2 3.7 -55.4 -39.1 61.6 40.2 26.9 4 4 A Y E -B 277 0B 18 273,-0.2 2,-0.3 274,-0.1 273,-0.2 -0.987 59.3-153.3-145.0 150.8 58.6 38.0 26.6 5 5 A S E -B 276 0B 66 271,-2.1 271,-2.1 -2,-0.3 2,-0.3 -0.904 21.9-149.2-117.0 156.5 57.6 34.3 26.7 6 6 A W E -B 275 0B 80 -2,-0.3 269,-0.3 269,-0.3 268,-0.1 -0.956 19.8-156.4-131.5 146.5 54.5 33.0 24.8 7 7 A T - 0 0 82 267,-2.0 268,-0.1 -2,-0.3 -1,-0.1 0.740 52.1-108.7 -88.2 -26.6 52.0 30.2 25.3 8 8 A G S S+ 0 0 60 266,-0.7 266,-0.1 1,-0.5 267,-0.1 0.078 76.1 133.2 113.8 -20.3 51.0 29.9 21.6 9 9 A A - 0 0 33 264,-0.4 -1,-0.5 265,-0.1 -2,-0.2 -0.321 59.6-109.7 -60.8 145.8 47.6 31.5 22.2 10 10 A L - 0 0 111 -3,-0.1 2,-0.5 1,-0.1 262,-0.1 -0.427 16.5-116.4 -81.6 152.1 46.8 34.1 19.6 11 11 A I - 0 0 14 31,-0.2 34,-0.1 -2,-0.1 35,-0.1 -0.771 45.3-158.1 -79.2 130.2 46.5 37.8 20.1 12 12 A T - 0 0 10 -2,-0.5 257,-0.4 126,-0.4 128,-0.3 -0.814 13.6-114.3-120.3 153.0 42.9 38.5 19.2 13 13 A P - 0 0 59 0, 0.0 4,-0.0 0, 0.0 28,-0.0 -0.476 10.2-155.4 -81.1 159.7 40.9 41.6 18.1 14 14 A C S S+ 0 0 98 1,-0.2 125,-0.0 -2,-0.1 3,-0.0 0.699 79.8 17.5-101.9 -27.2 38.2 43.1 20.4 15 15 A S S S- 0 0 74 1,-0.0 -1,-0.2 0, 0.0 0, 0.0 -0.893 104.6 -67.7-138.5 163.8 36.1 44.7 17.6 16 16 A P - 0 0 123 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.309 53.5-143.6 -59.3 135.0 35.9 44.2 13.8 17 17 A E - 0 0 50 -4,-0.0 2,-0.4 -3,-0.0 24,-0.1 -0.774 8.5-155.1-104.8 145.6 39.1 45.3 12.1 18 18 A E - 0 0 95 -2,-0.3 3,-0.0 22,-0.2 20,-0.0 -0.988 10.3-177.6-124.2 130.5 39.5 47.1 8.7 19 19 A E + 0 0 86 -2,-0.4 20,-2.1 19,-0.1 2,-0.3 0.750 63.2 57.9 -94.8 -32.9 42.7 46.8 6.7 20 20 A K B S-F 38 0C 140 18,-0.2 18,-0.2 1,-0.0 15,-0.1 -0.802 80.7-112.4-114.0 147.1 41.9 49.0 3.7 21 21 A L - 0 0 8 16,-1.0 16,-0.1 13,-0.5 376,-0.1 -0.554 44.3-112.5 -68.5 131.0 40.8 52.7 3.1 22 22 A P - 0 0 27 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.252 21.8-116.0 -61.4 149.9 37.2 52.9 1.8 23 23 A I + 0 0 134 4,-0.1 9,-0.0 377,-0.0 3,-0.0 -0.849 58.4 148.2 -87.8 114.2 36.6 54.1 -1.7 24 24 A N > - 0 0 61 -2,-0.8 4,-3.2 1,-0.1 5,-0.2 -0.995 56.5-128.6-154.6 136.7 34.7 57.3 -1.1 25 25 A P H > S+ 0 0 110 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.803 109.7 54.6 -62.9 -27.5 34.4 60.6 -2.8 26 26 A L H 4 S+ 0 0 60 2,-0.2 4,-0.4 1,-0.2 3,-0.2 0.944 115.0 36.0 -72.0 -48.0 35.1 62.5 0.4 27 27 A S H >> S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 3,-1.5 0.893 113.6 60.7 -70.5 -36.1 38.4 60.6 1.1 28 28 A N H 3< S+ 0 0 68 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.810 95.3 61.5 -60.7 -30.1 39.1 60.6 -2.6 29 29 A S T 3< S+ 0 0 34 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.713 110.4 41.4 -70.7 -18.4 39.1 64.4 -2.6 30 30 A L T <4 S- 0 0 0 -3,-1.5 2,-0.3 -4,-0.4 -2,-0.2 0.853 136.3 -2.8 -91.9 -44.2 42.0 64.3 -0.2 31 31 A L < - 0 0 2 -4,-2.5 -1,-0.3 463,-0.2 463,-0.3 -0.971 51.2-162.3-152.8 138.5 43.9 61.5 -1.9 32 32 A R S S+ 0 0 128 461,-1.8 2,-1.9 -2,-0.3 3,-0.2 0.748 76.8 77.2 -92.0 -26.8 43.2 59.2 -4.9 33 33 A Y > + 0 0 96 459,-1.9 3,-2.1 1,-0.2 4,-0.3 -0.467 52.5 162.6 -89.9 70.4 45.6 56.3 -4.4 34 34 A H G > + 0 0 44 -2,-1.9 3,-1.5 1,-0.3 -13,-0.5 0.778 66.4 67.5 -59.3 -31.3 43.5 54.6 -1.7 35 35 A N G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.679 92.3 61.8 -64.8 -16.5 45.4 51.3 -2.2 36 36 A K G < S+ 0 0 72 -3,-2.1 111,-2.2 456,-0.1 2,-0.5 0.654 92.0 78.3 -82.5 -13.7 48.5 53.0 -0.8 37 37 A V E < + G 0 146C 3 -3,-1.5 -16,-1.0 -4,-0.3 2,-0.3 -0.809 60.4 167.5-100.5 130.4 46.8 53.6 2.6 38 38 A Y E -FG 20 145C 12 107,-2.4 107,-2.2 -2,-0.5 2,-0.4 -0.927 28.0-138.3-137.6 163.2 46.5 50.7 5.0 39 39 A C E - G 0 144C 8 -20,-2.1 105,-0.2 -2,-0.3 2,-0.1 -0.981 26.2-122.9-121.9 133.1 45.6 50.1 8.7 40 40 A T + 0 0 5 103,-2.8 2,-0.3 -2,-0.4 -22,-0.2 -0.481 37.9 176.8 -69.6 146.0 47.5 47.7 10.8 41 41 A T > - 0 0 8 -2,-0.1 3,-1.9 101,-0.1 116,-0.5 -0.853 49.2 -82.6-140.4-179.4 45.4 44.9 12.4 42 42 A T G > S+ 0 0 17 1,-0.3 3,-2.0 -2,-0.3 4,-0.5 0.712 112.0 82.9 -60.5 -20.0 45.7 41.8 14.5 43 43 A K G 3 S+ 0 0 165 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.816 97.7 39.2 -52.8 -32.9 46.6 39.9 11.3 44 44 A S G <> S+ 0 0 19 -3,-1.9 4,-1.7 1,-0.1 3,-0.3 0.290 87.1 103.9-101.3 11.2 50.2 41.1 11.7 45 45 A A H <> S+ 0 0 1 -3,-2.0 4,-2.5 1,-0.2 5,-0.2 0.896 76.9 52.6 -61.0 -44.1 50.2 40.6 15.5 46 46 A S H > S+ 0 0 76 -4,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.830 106.5 54.9 -63.2 -32.2 52.3 37.4 15.5 47 47 A L H > S+ 0 0 117 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.910 110.2 45.2 -65.8 -43.8 54.9 39.1 13.3 48 48 A R H X S+ 0 0 51 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.909 108.3 57.5 -65.0 -41.8 55.3 41.9 15.8 49 49 A A H X S+ 0 0 11 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.904 107.8 48.0 -56.9 -42.0 55.4 39.5 18.8 50 50 A K H >< S+ 0 0 163 -4,-1.8 3,-1.0 1,-0.2 -1,-0.2 0.935 111.7 51.0 -61.2 -46.4 58.4 37.8 17.1 51 51 A K H 3< S+ 0 0 135 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.860 112.2 44.3 -59.7 -39.8 60.0 41.2 16.6 52 52 A V H 3< S+ 0 0 12 -4,-2.6 2,-0.7 -5,-0.1 -1,-0.2 0.431 95.8 89.4 -91.2 2.5 59.7 42.3 20.2 53 53 A T << + 0 0 26 -3,-1.0 2,-0.3 -4,-0.5 -51,-0.1 -0.879 55.7 121.5-105.5 111.2 60.8 39.1 21.7 54 54 A F - 0 0 27 -2,-0.7 -51,-2.4 172,-0.1 2,-0.2 -0.986 60.0 -85.5-160.7 168.2 64.5 38.7 22.3 55 55 A D B -A 2 0A 85 -2,-0.3 2,-0.5 -53,-0.2 -53,-0.2 -0.524 36.3-150.4 -79.6 141.3 67.2 38.2 24.9 56 56 A R - 0 0 15 -55,-2.3 2,-0.4 -2,-0.2 171,-0.0 -0.955 11.5-173.8-114.5 132.0 68.6 41.1 26.9 57 57 A M - 0 0 131 -2,-0.5 2,-0.4 287,-0.2 172,-0.0 -0.943 8.8-175.1-113.1 143.7 72.1 41.3 28.2 58 58 A Q + 0 0 41 -2,-0.4 2,-0.4 288,-0.1 288,-0.2 -0.962 12.0 174.5-143.7 125.2 73.0 44.3 30.4 59 59 A V - 0 0 97 286,-2.9 2,-0.2 -2,-0.4 288,-0.1 -0.978 16.0-158.2-128.3 119.4 76.3 45.3 31.9 60 60 A L - 0 0 29 -2,-0.4 2,-0.2 286,-0.1 -2,-0.0 -0.656 10.3-169.6 -96.9 152.0 76.6 48.5 33.8 61 61 A D > - 0 0 40 -2,-0.2 4,-2.4 1,-0.0 5,-0.1 -0.629 42.6 -81.2-128.0-170.5 79.8 50.5 34.4 62 62 A S H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.797 124.5 57.5 -67.2 -32.6 81.2 53.4 36.4 63 63 A Y H > S+ 0 0 105 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.935 109.8 44.2 -62.6 -46.4 79.8 55.9 33.9 64 64 A Y H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.939 112.3 52.5 -62.9 -47.6 76.3 54.6 34.4 65 65 A D H X S+ 0 0 87 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.893 108.8 50.1 -56.7 -44.2 76.7 54.4 38.2 66 66 A S H X S+ 0 0 59 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.919 111.7 46.9 -64.3 -45.4 77.8 58.0 38.4 67 67 A V H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.955 110.9 52.0 -59.1 -48.8 74.9 59.3 36.3 68 68 A L H X S+ 0 0 18 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.896 107.4 53.9 -58.3 -40.7 72.4 57.3 38.3 69 69 A K H X S+ 0 0 154 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.916 108.3 48.1 -57.6 -48.5 73.8 58.8 41.5 70 70 A D H X S+ 0 0 82 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.903 111.7 51.8 -58.3 -43.3 73.3 62.4 40.3 71 71 A I H X S+ 0 0 3 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.917 108.3 48.2 -63.3 -45.2 69.8 61.5 39.2 72 72 A K H X S+ 0 0 77 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.882 112.2 51.5 -63.6 -35.8 68.7 60.1 42.6 73 73 A L H < S+ 0 0 100 -4,-2.0 4,-0.4 -5,-0.2 3,-0.4 0.945 111.7 45.7 -64.1 -47.4 70.2 63.2 44.2 74 74 A A H >< S+ 0 0 27 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.913 109.7 56.2 -59.0 -43.1 68.2 65.4 41.9 75 75 A A H >< S+ 0 0 0 -4,-3.0 3,-1.9 1,-0.3 169,-0.2 0.799 93.8 67.8 -60.3 -30.7 65.1 63.3 42.5 76 76 A S T 3< S+ 0 0 55 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.698 89.0 66.4 -66.4 -17.2 65.4 63.9 46.3 77 77 A K T < S+ 0 0 150 -3,-1.6 2,-0.3 -4,-0.4 -1,-0.3 0.559 84.5 95.5 -77.7 -10.5 64.6 67.6 45.7 78 78 A V < - 0 0 9 -3,-1.9 166,-3.2 -4,-0.2 2,-0.4 -0.630 54.5-167.1 -85.3 137.8 61.0 66.6 44.6 79 79 A T B +h 244 0D 95 -2,-0.3 2,-0.3 164,-0.2 166,-0.2 -0.997 19.0 170.4-119.8 125.9 58.1 66.6 46.9 80 80 A A - 0 0 6 164,-2.4 2,-0.3 -2,-0.4 98,-0.0 -0.911 15.8-153.9-135.4 161.1 55.0 64.9 45.5 81 81 A R - 0 0 120 -2,-0.3 96,-0.4 164,-0.1 97,-0.2 -0.806 28.5 -92.4-130.0 167.6 51.6 63.8 46.8 82 82 A L - 0 0 35 -2,-0.3 2,-0.3 95,-0.1 92,-0.2 -0.504 41.0-121.0 -72.5 147.9 48.9 61.2 46.1 83 83 A L - 0 0 13 90,-2.1 2,-0.1 89,-0.2 -1,-0.1 -0.680 29.6-116.2 -81.2 149.0 46.1 62.2 43.7 84 84 A T > - 0 0 62 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.351 28.2-103.8 -73.2 166.4 42.6 62.1 45.2 85 85 A M H > S+ 0 0 23 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.917 123.2 50.2 -53.6 -46.4 40.0 59.7 43.8 86 86 A E H > S+ 0 0 103 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.860 110.1 48.7 -63.7 -39.4 38.3 62.7 42.1 87 87 A E H > S+ 0 0 70 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.916 113.7 45.7 -69.6 -42.7 41.5 64.0 40.5 88 88 A A H < S+ 0 0 0 -4,-2.3 3,-0.4 1,-0.2 4,-0.2 0.877 112.5 51.1 -68.6 -39.4 42.5 60.6 39.2 89 89 A C H >< S+ 0 0 0 -4,-2.3 3,-1.8 -5,-0.2 -1,-0.2 0.903 105.8 54.9 -64.4 -41.7 39.0 59.8 37.8 90 90 A Q H 3< S+ 0 0 79 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.709 100.1 61.7 -67.1 -18.5 38.8 63.2 36.0 91 91 A L T 3< S+ 0 0 15 -4,-0.7 470,-1.6 -3,-0.4 -1,-0.3 0.525 81.2 107.5 -80.9 -6.7 42.1 62.3 34.2 92 92 A T S < S- 0 0 0 -3,-1.8 468,-0.1 -4,-0.2 467,-0.0 -0.610 76.5-118.9 -79.4 124.0 40.4 59.3 32.6 93 93 A P > - 0 0 9 0, 0.0 3,-2.2 0, 0.0 16,-0.1 -0.353 23.4-118.8 -60.3 141.3 39.7 59.6 28.8 94 94 A P T 3 S+ 0 0 37 0, 0.0 12,-0.2 0, 0.0 11,-0.1 0.740 113.9 39.1 -55.6 -27.1 35.9 59.4 28.1 95 95 A H T 3 S+ 0 0 136 10,-0.1 3,-0.1 9,-0.1 -3,-0.0 0.052 80.1 144.3-116.2 26.8 36.6 56.3 25.9 96 96 A S < - 0 0 12 -3,-2.2 9,-0.7 1,-0.1 10,-0.1 -0.371 69.0 -80.9 -56.9 141.6 39.3 54.6 28.0 97 97 A A - 0 0 42 7,-0.1 -1,-0.1 1,-0.1 68,-0.1 -0.182 54.9-113.3 -48.3 131.2 38.9 50.8 27.8 98 98 A R - 0 0 152 -3,-0.1 6,-0.3 1,-0.1 67,-0.2 -0.247 28.7-105.8 -69.5 158.5 36.1 49.6 30.2 99 99 A S B >> -I 103 0E 3 4,-2.1 3,-0.6 65,-0.1 4,-0.5 -0.472 15.0-130.3 -78.4 152.9 36.9 47.5 33.3 100 100 A K T 34 S+ 0 0 163 1,-0.2 -1,-0.1 -2,-0.1 4,-0.1 0.574 98.6 80.2 -75.0 -6.6 35.9 43.8 33.3 101 101 A Y T 34 S- 0 0 128 2,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.087 119.9 -83.2 -99.2 35.4 34.3 44.6 36.6 102 102 A G T <4 S+ 0 0 44 -3,-0.6 2,-0.3 1,-0.2 -2,-0.1 0.782 98.6 75.5 81.4 30.1 31.0 46.1 35.4 103 103 A F B < -I 99 0E 0 -4,-0.5 -4,-2.1 11,-0.1 2,-0.2 -0.981 52.2-158.7-160.6 165.5 31.8 49.7 34.6 104 104 A G > - 0 0 1 -2,-0.3 4,-1.7 -6,-0.3 3,-0.3 -0.625 47.8 -68.7-134.9-167.0 33.6 51.9 32.1 105 105 A A H > S+ 0 0 6 -9,-0.7 4,-2.8 1,-0.2 5,-0.2 0.843 126.2 57.8 -58.1 -36.6 35.2 55.3 31.6 106 106 A K H > S+ 0 0 159 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.922 107.0 46.5 -61.0 -47.2 31.8 57.0 31.9 107 107 A E H 4>S+ 0 0 55 -3,-0.3 5,-2.7 2,-0.2 -1,-0.2 0.803 113.0 51.0 -65.7 -31.5 31.2 55.6 35.3 108 108 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.4 3,-0.2 -2,-0.2 0.949 110.2 47.5 -69.3 -49.3 34.7 56.6 36.4 109 109 A R H 3<5S+ 0 0 60 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.817 115.3 46.0 -63.2 -29.8 34.4 60.2 35.2 110 110 A S T 3<5S- 0 0 81 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.387 109.3-125.1 -94.5 1.8 31.0 60.6 36.9 111 111 A L T < 5 - 0 0 63 -3,-1.4 -3,-0.2 -4,-0.1 -2,-0.1 0.874 37.8-170.5 57.3 43.2 32.3 58.9 40.1 112 112 A S >< - 0 0 29 -5,-2.7 4,-2.9 -6,-0.1 5,-0.3 -0.304 30.9-116.5 -63.6 150.3 29.6 56.3 40.2 113 113 A G H > S+ 0 0 46 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.877 113.0 51.3 -54.7 -46.5 29.4 54.2 43.4 114 114 A R H > S+ 0 0 159 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 115.1 42.5 -58.9 -46.7 30.2 50.9 41.6 115 115 A A H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.947 116.8 45.6 -66.2 -50.7 33.3 52.4 40.0 116 116 A V H X S+ 0 0 22 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.915 113.9 50.0 -60.7 -43.8 34.6 54.3 43.0 117 117 A N H X S+ 0 0 105 -4,-2.7 4,-1.6 -5,-0.3 -1,-0.2 0.895 111.9 47.5 -63.5 -42.2 34.0 51.3 45.3 118 118 A H H X S+ 0 0 33 -4,-2.0 4,-2.1 -5,-0.3 3,-0.2 0.947 110.9 51.3 -62.1 -47.8 35.9 49.0 43.0 119 119 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.913 107.5 53.1 -59.3 -42.1 38.7 51.4 42.7 120 120 A K H X S+ 0 0 124 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.876 108.7 50.0 -58.6 -39.0 39.0 51.7 46.4 121 121 A S H X S+ 0 0 59 -4,-1.6 4,-2.2 -3,-0.2 -1,-0.2 0.873 108.8 51.6 -69.8 -35.1 39.2 47.9 46.8 122 122 A V H X S+ 0 0 21 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.903 111.1 49.0 -65.3 -40.1 42.0 47.8 44.1 123 123 A W H X S+ 0 0 25 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.942 110.7 48.9 -64.2 -49.1 43.9 50.4 46.0 124 124 A K H X S+ 0 0 114 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.899 109.7 53.0 -58.5 -41.5 43.6 48.6 49.3 125 125 A D H X S+ 0 0 66 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.877 105.6 54.1 -61.9 -39.1 44.7 45.4 47.7 126 126 A L H < S+ 0 0 2 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.885 110.6 47.1 -59.3 -39.0 47.8 47.2 46.4 127 127 A L H < S+ 0 0 58 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.805 118.2 41.0 -73.8 -29.3 48.6 48.2 49.9 128 128 A E H < S+ 0 0 140 -4,-1.7 2,-0.5 1,-0.2 -2,-0.2 0.752 118.1 41.3 -91.9 -25.1 48.0 44.8 51.3 129 129 A D < + 0 0 40 -4,-2.4 -1,-0.2 -5,-0.2 130,-0.1 -0.984 51.4 171.0-130.5 117.1 49.7 42.6 48.7 130 130 A S S S+ 0 0 60 -2,-0.5 128,-0.1 -3,-0.1 -1,-0.1 0.168 74.5 48.2-109.1 19.1 53.0 43.6 47.1 131 131 A E + 0 0 155 128,-0.1 3,-0.1 2,-0.1 -1,-0.0 0.753 69.3 101.1-128.9 -43.5 53.6 40.4 45.2 132 132 A T S S- 0 0 70 1,-0.1 -3,-0.1 132,-0.0 -1,-0.0 -0.329 75.1-116.0 -62.9 120.1 50.8 38.9 43.1 133 133 A P - 0 0 55 0, 0.0 127,-0.2 0, 0.0 131,-0.1 -0.296 26.7-129.1 -57.3 138.6 51.4 39.7 39.4 134 134 A I - 0 0 10 125,-3.4 129,-0.1 129,-0.4 0, 0.0 -0.810 25.4-114.6 -92.5 129.0 48.6 41.9 38.1 135 135 A P - 0 0 75 0, 0.0 29,-0.5 0, 0.0 2,-0.3 -0.262 32.1-166.1 -63.1 147.5 47.0 40.6 34.8 136 136 A T E -Cd 163 266B 3 129,-1.6 131,-2.5 27,-0.2 2,-0.4 -0.899 15.5-130.9-127.5 160.5 47.4 42.6 31.6 137 137 A T E -Cd 162 267B 42 25,-3.0 25,-2.1 -2,-0.3 2,-0.5 -0.906 15.2-150.8-106.6 139.3 45.7 42.6 28.2 138 138 A I E +C 161 0B 1 129,-2.5 -126,-0.4 -2,-0.4 2,-0.3 -0.960 22.4 171.3-110.3 128.3 47.7 42.5 25.0 139 139 A M E -C 160 0B 19 21,-2.3 21,-2.7 -2,-0.5 2,-0.5 -0.901 33.8-119.4-128.0 157.8 46.1 44.1 22.0 140 140 A A E -C 159 0B 7 -2,-0.3 19,-0.2 -128,-0.3 -98,-0.2 -0.890 33.8-126.4 -95.5 125.9 47.3 44.9 18.4 141 141 A K - 0 0 68 17,-2.8 2,-0.8 -2,-0.5 17,-0.3 -0.477 11.0-139.1 -71.7 138.8 47.0 48.7 17.7 142 142 A N + 0 0 68 -2,-0.2 2,-0.3 15,-0.1 -101,-0.1 -0.877 38.4 161.7 -98.9 103.0 45.1 49.6 14.6 143 143 A E - 0 0 24 -2,-0.8 -103,-2.8 15,-0.0 2,-0.4 -0.949 32.2-128.1-128.3 147.8 47.1 52.5 13.0 144 144 A V E +G 39 0C 8 -2,-0.3 2,-0.3 -105,-0.2 -105,-0.2 -0.745 32.7 157.2-101.3 137.8 47.1 53.9 9.5 145 145 A F E -G 38 0C 26 -107,-2.2 -107,-2.4 -2,-0.4 2,-0.3 -0.902 38.3-112.3-141.4 170.6 50.1 54.5 7.3 146 146 A C E -G 37 0C 12 -2,-0.3 -109,-0.2 -109,-0.2 -110,-0.1 -0.844 45.8 -98.0-100.3 145.8 51.1 54.9 3.7 147 147 A V - 0 0 42 -111,-2.2 7,-0.1 -2,-0.3 -1,-0.1 -0.286 35.0-132.4 -55.4 147.5 53.1 52.1 2.0 148 148 A D >> - 0 0 68 5,-0.3 3,-2.0 1,-0.1 4,-1.0 -0.928 9.6-158.8-112.0 112.9 56.8 53.0 1.9 149 149 A P T 34 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.590 94.6 49.0 -64.8 -11.0 58.4 52.4 -1.5 150 150 A T T 34 S+ 0 0 105 1,-0.1 3,-0.1 3,-0.1 -3,-0.0 0.245 108.8 50.2-113.0 9.2 61.8 52.2 0.1 151 151 A K T <4 S- 0 0 158 -3,-2.0 2,-1.6 1,-0.1 -1,-0.1 0.437 93.5-142.0-118.0 -9.5 60.9 49.7 2.9 152 152 A G < + 0 0 75 -4,-1.0 2,-0.2 0, 0.0 -1,-0.1 -0.526 65.8 41.4 87.6 -71.7 59.2 47.2 0.7 153 153 A G S S- 0 0 51 -2,-1.6 -5,-0.3 1,-0.1 2,-0.1 -0.524 86.5 -85.1-113.8 174.5 56.3 46.0 2.8 154 154 A K - 0 0 117 -2,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.396 50.1-101.2 -75.1 152.1 53.6 47.2 5.2 155 155 A K - 0 0 107 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.428 31.3-119.8 -72.6 145.2 54.3 47.7 8.9 156 156 A A - 0 0 14 1,-0.1 -116,-0.1 -2,-0.1 -111,-0.1 -0.558 42.8 -88.4 -76.7 148.9 53.2 45.1 11.5 157 157 A A - 0 0 0 -116,-0.5 2,-0.2 -2,-0.2 -1,-0.1 -0.232 40.0-120.9 -52.4 142.4 50.7 46.3 14.1 158 158 A R - 0 0 129 -17,-0.3 -17,-2.8 -3,-0.1 2,-0.4 -0.537 29.0-127.2 -76.4 157.9 52.3 47.8 17.3 159 159 A L E -C 140 0B 26 -19,-0.2 2,-0.4 -2,-0.2 -19,-0.2 -0.888 16.7-158.8-112.1 141.5 51.3 45.9 20.5 160 160 A I E -C 139 0B 44 -21,-2.7 -21,-2.3 -2,-0.4 2,-0.5 -0.975 2.6-167.0-120.1 133.2 49.9 47.5 23.6 161 161 A V E +C 138 0B 1 -2,-0.4 122,-2.3 -23,-0.2 -23,-0.2 -0.962 23.1 158.2-123.7 112.1 50.0 45.8 27.0 162 162 A Y E -C 137 0B 52 -25,-2.1 -25,-3.0 -2,-0.5 122,-0.1 -0.947 33.3-124.1-139.6 153.2 47.8 47.4 29.7 163 163 A P E -C 136 0B 0 0, 0.0 -27,-0.2 0, 0.0 5,-0.1 -0.426 49.7 -69.4 -90.9 169.7 46.1 46.6 33.0 164 164 A D >> - 0 0 35 -29,-0.5 4,-2.0 -2,-0.1 3,-0.9 -0.162 47.0-108.7 -56.8 149.6 42.4 46.9 33.9 165 165 A L H 3> S+ 0 0 0 1,-0.3 4,-2.0 -67,-0.2 5,-0.2 0.815 118.9 59.9 -47.6 -39.2 40.7 50.3 34.2 166 166 A G H 3> S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.922 107.6 44.9 -59.2 -41.9 40.5 49.9 38.0 167 167 A V H <> S+ 0 0 13 -3,-0.9 4,-2.3 1,-0.2 -2,-0.2 0.869 107.4 58.9 -69.4 -36.8 44.3 49.6 38.1 168 168 A R H X S+ 0 0 13 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.895 104.5 50.1 -62.1 -38.8 44.9 52.5 35.7 169 169 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.936 109.6 51.3 -65.3 -42.5 43.0 54.9 38.1 170 170 A C H X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.861 104.1 58.5 -59.4 -38.2 45.2 53.7 41.0 171 171 A E H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 5,-0.4 0.913 105.9 49.5 -56.1 -45.7 48.3 54.3 38.9 172 172 A K H X S+ 0 0 1 -4,-1.6 4,-2.4 1,-0.2 5,-0.4 0.938 109.1 51.3 -59.2 -48.3 47.2 57.9 38.6 173 173 A M H < S+ 0 0 14 -4,-2.0 -90,-2.1 1,-0.2 -2,-0.2 0.907 118.3 37.9 -57.1 -40.7 46.6 58.2 42.3 174 174 A A H < S+ 0 0 3 -4,-2.3 -1,-0.2 -92,-0.2 -2,-0.2 0.830 135.0 11.8 -79.9 -33.3 50.1 56.9 43.2 175 175 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.2 -3,-0.2 0.492 91.7 93.8-131.8 -8.8 52.2 58.4 40.4 176 176 A Y H X S+ 0 0 19 -4,-2.4 4,-1.1 -5,-0.4 3,-0.2 0.931 90.6 51.3 -61.8 -44.5 50.6 61.2 38.4 177 177 A D H >> S+ 0 0 20 -5,-0.4 3,-0.7 -96,-0.4 4,-0.6 0.901 107.9 55.0 -59.8 -39.6 51.9 64.0 40.6 178 178 A I H >> S+ 0 0 3 1,-0.2 4,-2.7 -97,-0.2 3,-1.2 0.887 101.4 57.0 -58.3 -40.4 55.4 62.4 40.1 179 179 A T H 3< S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.796 105.2 54.2 -62.6 -24.4 55.0 62.6 36.3 180 180 A Q H << S+ 0 0 34 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.653 125.3 16.6 -82.6 -14.9 54.5 66.3 36.7 181 181 A K H S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.5 0.925 112.1 47.6 -55.1 -45.3 61.4 64.4 34.8 184 184 A Q H > S+ 0 0 47 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.873 111.9 50.1 -59.1 -40.2 62.1 68.2 35.1 185 185 A A H < S+ 0 0 40 -4,-1.7 -1,-0.2 1,-0.2 -3,-0.1 0.831 115.8 42.2 -69.2 -31.0 64.0 67.7 38.4 186 186 A V H < S+ 0 0 12 -4,-2.0 -2,-0.2 -3,-0.2 -1,-0.2 0.861 135.3 8.9 -88.1 -39.4 66.2 65.0 37.0 187 187 A M H >< S- 0 0 12 -4,-2.4 3,-2.1 -5,-0.2 -3,-0.2 0.391 82.5-165.1-128.2 1.1 67.1 66.2 33.5 188 188 A G G >< S+ 0 0 32 -4,-1.6 3,-1.9 -5,-0.5 -1,-0.2 -0.192 74.2 8.2 55.7-124.2 65.8 69.8 33.4 189 189 A A G 3 S+ 0 0 53 1,-0.3 -1,-0.3 125,-0.0 5,-0.1 0.622 119.3 73.9 -70.6 -12.3 65.6 71.3 30.0 190 190 A S G < + 0 0 18 -3,-2.1 125,-2.9 -6,-0.1 2,-0.7 0.642 69.7 100.5 -72.5 -15.8 66.4 68.0 28.4 191 191 A Y B X -j 315 0F 0 -3,-1.9 3,-0.6 123,-0.2 125,-0.2 -0.637 56.4-169.7 -75.8 114.5 62.9 66.7 29.2 192 192 A G G > S+ 0 0 0 123,-2.9 3,-1.8 -2,-0.7 124,-0.2 0.781 70.2 70.1 -81.6 -28.8 61.0 67.1 25.9 193 193 A F G 3 S+ 0 0 18 122,-0.5 363,-0.3 1,-0.3 361,-0.2 0.542 88.2 67.8 -72.7 -3.6 57.4 66.5 26.9 194 194 A Q G < S+ 0 0 45 -3,-0.6 358,-0.4 357,-0.1 2,-0.4 0.546 88.9 88.8 -85.8 -7.5 57.2 69.8 28.7 195 195 A Y < - 0 0 29 -3,-1.8 354,-0.0 356,-0.2 -3,-0.0 -0.732 67.1-141.5-103.0 138.3 57.6 71.7 25.5 196 196 A S > - 0 0 9 -2,-0.4 4,-2.2 352,-0.1 3,-0.5 -0.393 46.7 -96.3 -70.7 166.1 55.1 73.0 22.9 197 197 A P H > S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.917 128.4 51.7 -54.0 -42.3 56.4 72.7 19.3 198 198 A A H > S+ 0 0 41 268,-0.3 4,-1.8 1,-0.2 5,-0.1 0.809 110.0 50.0 -65.7 -28.3 57.6 76.3 19.4 199 199 A Q H > S+ 0 0 76 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.837 107.4 52.1 -78.6 -33.8 59.5 75.6 22.6 200 200 A R H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.924 109.8 51.1 -65.1 -43.0 61.1 72.5 21.2 201 201 A V H X S+ 0 0 7 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.919 109.2 50.1 -54.3 -49.5 62.2 74.6 18.2 202 202 A E H X S+ 0 0 94 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.895 111.5 49.0 -59.7 -39.7 63.7 77.2 20.6 203 203 A F H X S+ 0 0 31 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.912 112.1 46.6 -69.1 -44.1 65.6 74.5 22.5 204 204 A L H X S+ 0 0 5 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.930 112.1 50.5 -65.4 -45.8 67.1 72.9 19.5 205 205 A L H X S+ 0 0 46 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.886 113.0 47.1 -58.3 -41.5 68.1 76.2 17.9 206 206 A K H X S+ 0 0 126 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.899 111.0 49.4 -72.2 -39.4 69.8 77.2 21.2 207 207 A A H X S+ 0 0 3 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.891 114.2 47.7 -62.9 -38.0 71.6 73.9 21.6 208 208 A W H >< S+ 0 0 46 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.925 112.4 49.0 -67.0 -43.5 72.8 74.2 18.0 209 209 A A H 3< S+ 0 0 79 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.805 102.1 62.0 -69.0 -29.6 73.9 77.8 18.5 210 210 A E H 3< S+ 0 0 120 -4,-1.9 2,-0.3 -5,-0.1 -1,-0.2 0.643 87.5 82.9 -78.3 -13.4 75.8 77.2 21.7 211 211 A K S << S- 0 0 15 -3,-0.9 114,-0.0 -4,-0.5 113,-0.0 -0.714 72.6-143.7 -87.9 140.3 78.3 74.8 20.1 212 212 A K S S+ 0 0 191 -2,-0.3 -1,-0.2 1,-0.3 113,-0.1 0.923 102.2 12.3 -61.6 -41.1 81.3 76.3 18.3 213 213 A D S S- 0 0 89 113,-0.1 113,-3.2 -3,-0.1 -1,-0.3 -0.759 92.9-150.9-140.2 82.5 81.0 73.5 15.8 214 214 A P E -K 325 0F 25 0, 0.0 2,-0.4 0, 0.0 111,-0.2 -0.258 17.1-180.0 -70.5 141.1 77.7 71.7 16.3 215 215 A M E -K 324 0F 2 109,-2.6 109,-3.2 2,-0.0 2,-0.3 -0.992 10.6-169.3-130.1 133.7 77.2 68.0 15.5 216 216 A G E +KL 323 357F 0 141,-2.9 141,-2.4 -2,-0.4 2,-0.3 -0.891 8.8 173.6-120.8 151.9 73.8 66.4 16.0 217 217 A F E -K 322 0F 0 105,-1.9 105,-3.2 -2,-0.3 2,-0.4 -0.989 22.1-141.3-149.2 153.7 72.5 62.8 16.0 218 218 A S E -K 321 0F 38 137,-0.3 2,-0.6 -2,-0.3 137,-0.3 -0.916 18.2-145.5-106.3 141.0 69.3 60.9 16.8 219 219 A Y E -K 320 0F 6 101,-2.3 101,-0.8 -2,-0.4 2,-0.8 -0.943 9.1-162.8-110.5 119.8 69.6 57.5 18.5 220 220 A D - 0 0 78 132,-0.6 131,-3.0 -2,-0.6 2,-0.4 -0.871 7.2-156.2-103.1 104.6 67.1 54.9 17.5 221 221 A T B > -N 350 0G 5 -2,-0.8 3,-0.6 97,-0.4 2,-0.5 -0.650 25.2-115.6 -76.8 133.2 66.9 52.1 19.9 222 222 A R T 3 S- 0 0 101 127,-2.1 5,-0.1 -2,-0.4 -1,-0.1 -0.616 89.8 -22.5 -67.8 118.2 65.5 48.9 18.5 223 223 A C T >> S- 0 0 46 -2,-0.5 4,-1.2 3,-0.1 3,-0.6 0.906 75.4-163.8 42.3 70.5 62.2 48.2 20.3 224 224 A F H X> S+ 0 0 3 -3,-0.6 4,-1.0 1,-0.2 3,-0.9 0.860 81.3 56.7 -52.5 -48.6 63.0 50.3 23.4 225 225 A D H >4 S+ 0 0 35 1,-0.3 55,-1.7 2,-0.2 3,-0.8 0.899 107.8 49.7 -53.0 -44.2 60.3 48.8 25.7 226 226 A S H <4 S+ 0 0 1 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.774 106.2 56.5 -66.4 -26.0 61.7 45.3 25.1 227 227 A T H << S+ 0 0 1 -4,-1.2 2,-0.4 -3,-0.9 -1,-0.2 0.652 82.7 102.4 -79.3 -17.2 65.2 46.5 25.9 228 228 A V << - 0 0 0 -4,-1.0 52,-0.4 -3,-0.8 2,-0.1 -0.575 66.1-148.2 -70.1 122.1 64.1 47.8 29.4 229 229 A T > - 0 0 13 -2,-0.4 4,-1.9 50,-0.1 5,-0.1 -0.353 25.1-110.5 -90.4 169.2 65.2 45.2 32.0 230 230 A E H > S+ 0 0 48 48,-0.2 4,-2.1 1,-0.2 5,-0.2 0.902 123.1 52.9 -62.7 -37.8 63.7 44.2 35.3 231 231 A R H > S+ 0 0 145 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.858 106.0 52.5 -65.3 -36.1 66.6 45.9 37.0 232 232 A D H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.879 109.6 50.1 -62.6 -40.3 65.9 49.1 35.0 233 233 A I H X S+ 0 0 2 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.886 111.0 46.6 -71.4 -38.3 62.3 49.0 36.2 234 234 A R H X S+ 0 0 97 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.851 110.5 54.3 -70.1 -33.1 63.3 48.6 39.9 235 235 A T H X S+ 0 0 18 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.930 105.1 53.6 -64.0 -42.9 65.8 51.4 39.4 236 236 A E H X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.927 107.0 52.1 -51.9 -49.0 63.0 53.5 38.1 237 237 A E H X S+ 0 0 15 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.925 107.6 51.0 -53.1 -46.2 61.1 52.7 41.3 238 238 A S H < S+ 0 0 42 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.843 111.4 48.8 -66.2 -31.4 64.2 53.8 43.4 239 239 A I H >X S+ 0 0 1 -4,-2.2 3,-1.3 2,-0.2 4,-0.6 0.937 112.1 47.5 -67.9 -48.6 64.2 57.0 41.5 240 240 A Y H >< S+ 0 0 1 -4,-3.0 3,-1.0 1,-0.3 -2,-0.2 0.898 114.5 48.1 -56.6 -41.8 60.5 57.6 42.0 241 241 A R T 3< S+ 0 0 90 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.423 91.8 75.9 -87.2 1.8 60.9 56.8 45.7 242 242 A A T <4 S+ 0 0 31 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.689 82.9 90.4 -77.8 -20.8 63.9 59.1 46.1 243 243 A C S << S- 0 0 5 -3,-1.0 2,-0.7 -4,-0.6 -164,-0.2 -0.222 98.7 -97.0 -61.8 161.4 61.3 61.9 46.0 244 244 A S B +h 79 0D 69 -166,-3.2 -164,-2.4 -169,-0.2 -1,-0.1 -0.805 63.8 156.7 -84.2 114.0 59.7 63.1 49.3 245 245 A L - 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0 0 40 -5,-0.2 -2,-0.0 1,-0.1 -1,-0.0 -0.978 35.8-143.6-141.5 134.4 37.4 57.4 15.1 404 404 A P S S+ 0 0 64 0, 0.0 2,-0.5 0, 0.0 40,-0.3 0.693 93.8 64.6 -62.7 -21.0 37.3 58.7 18.7 405 405 A I S S- 0 0 40 38,-0.1 2,-1.0 40,-0.0 40,-0.3 -0.929 70.1-159.3-111.0 122.2 40.7 60.3 18.0 406 406 A N >> + 0 0 24 38,-2.7 4,-1.5 -2,-0.5 3,-1.3 -0.755 12.5 177.4 -98.2 86.3 40.9 63.1 15.4 407 407 A S H 3> S+ 0 0 22 -2,-1.0 4,-2.6 1,-0.3 5,-0.2 0.813 77.7 66.1 -61.4 -27.0 44.6 63.0 14.5 408 408 A W H 3> S+ 0 0 7 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.849 101.4 47.7 -59.4 -36.8 43.9 65.7 11.9 409 409 A L H <> S+ 0 0 0 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.904 111.3 49.3 -73.7 -42.7 43.0 68.2 14.7 410 410 A G H X S+ 0 0 1 -4,-1.5 4,-2.7 1,-0.2 5,-0.3 0.881 111.9 50.4 -61.0 -38.5 46.1 67.3 16.7 411 411 A N H X S+ 0 0 20 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.903 108.4 50.8 -68.4 -38.4 48.2 67.8 13.6 412 412 A I H < S+ 0 0 0 -4,-1.9 4,-0.4 -5,-0.2 -2,-0.2 0.901 114.3 45.7 -65.2 -37.7 46.6 71.2 12.8 413 413 A I H >< S+ 0 0 0 -4,-2.1 3,-0.6 2,-0.2 -2,-0.2 0.963 119.7 37.1 -70.6 -49.1 47.4 72.3 16.4 414 414 A Q H 3< S+ 0 0 23 -4,-2.7 -30,-0.2 1,-0.2 -2,-0.2 0.851 129.7 32.9 -71.5 -34.2 50.9 71.0 16.6 415 415 A Y T >< S+ 0 0 12 -4,-2.6 3,-2.3 -5,-0.3 6,-0.4 0.084 75.2 132.1-115.0 25.5 51.9 71.9 13.0 416 416 A A T < S+ 0 0 1 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.1 0.768 71.3 52.5 -45.2 -40.7 49.7 75.0 12.5 417 417 A P T 3 S+ 0 0 7 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.623 87.8 105.0 -76.9 -9.6 52.6 77.1 11.0 418 418 A T S <> S- 0 0 0 -3,-2.3 4,-2.0 -34,-0.2 5,-0.2 -0.313 76.7-127.5 -74.9 154.2 53.5 74.5 8.4 419 419 A I H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 5,-0.4 0.860 109.2 50.8 -69.0 -31.2 52.5 74.9 4.7 420 420 A W H >>S+ 0 0 0 2,-0.2 5,-1.7 3,-0.2 4,-1.6 0.892 109.2 47.2 -76.1 -38.4 50.9 71.5 4.7 421 421 A A H 4>S+ 0 0 0 -6,-0.4 5,-2.6 3,-0.2 6,-0.2 0.919 119.1 42.5 -67.8 -39.2 48.7 71.9 7.8 422 422 A R H <>S+ 0 0 10 -4,-2.0 5,-0.7 -7,-0.3 -2,-0.2 0.968 123.0 33.0 -68.4 -55.1 47.5 75.3 6.6 423 423 A M H <5S+ 0 0 23 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.860 133.5 22.1 -76.0 -36.3 46.9 74.6 2.9 424 424 A V T X5S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.4 5,-0.3 0.913 126.3 36.2 -97.8 -64.0 45.8 71.0 3.1 425 425 A L H >S+ 0 0 6 -4,-3.0 5,-2.2 1,-0.2 4,-1.2 0.881 109.8 49.9 -60.4 -39.4 32.8 70.7 9.2 434 434 A M H <5S+ 0 0 23 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.919 110.5 49.6 -65.0 -40.8 30.8 73.3 7.4 435 435 A A H <5S+ 0 0 89 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.892 116.2 42.1 -63.8 -39.2 29.0 70.6 5.3 436 436 A Q H <5S- 0 0 114 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.690 105.8-132.6 -75.4 -20.2 28.2 68.6 8.4 437 437 A D T <5S+ 0 0 101 -4,-1.2 -3,-0.2 -5,-0.2 -4,-0.1 0.926 72.4 119.0 60.3 49.6 27.3 71.8 10.3 438 438 A T > < + 0 0 26 -5,-2.2 3,-1.5 -6,-0.1 -4,-0.2 0.026 18.6 129.0-129.7 28.5 29.4 70.7 13.3 439 439 A L T 3 S+ 0 0 5 -6,-0.4 18,-0.8 1,-0.3 -5,-0.1 0.814 76.7 47.0 -52.1 -36.1 32.0 73.5 13.4 440 440 A D T 3 S+ 0 0 88 16,-0.1 -1,-0.3 15,-0.1 2,-0.2 0.536 83.9 114.0 -89.3 -8.9 31.4 74.1 17.2 441 441 A Q < - 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0 0 1 -2,-0.3 3,-2.1 -13,-0.3 4,-0.2 -0.830 23.0-134.0 -92.2 135.4 36.4 73.0 19.4 456 456 A P G > S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 -16,-0.1 0.792 105.3 68.5 -59.2 -24.4 37.7 73.8 15.9 457 457 A L G 3 S+ 0 0 20 -18,-0.8 4,-0.2 1,-0.3 -17,-0.1 0.677 95.7 54.9 -68.5 -16.0 36.1 77.2 16.3 458 458 A D G <> S+ 0 0 51 -3,-2.1 4,-2.1 1,-0.2 3,-0.3 0.400 78.8 102.3 -93.9 2.2 38.7 77.9 19.0 459 459 A L H <> S+ 0 0 0 -3,-1.6 4,-3.2 1,-0.2 5,-0.3 0.872 73.6 54.8 -57.0 -45.2 41.7 77.1 16.7 460 460 A P H > S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.923 112.6 44.3 -56.8 -41.3 42.7 80.7 15.9 461 461 A A H > S+ 0 0 6 -3,-0.3 4,-2.1 -4,-0.2 -2,-0.2 0.910 116.1 46.3 -67.9 -42.6 43.1 81.5 19.6 462 462 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.926 113.3 49.1 -65.4 -46.7 44.9 78.3 20.4 463 463 A I H X>S+ 0 0 1 -4,-3.2 4,-3.2 1,-0.2 5,-0.5 0.918 111.6 48.6 -60.9 -44.8 47.2 78.6 17.4 464 464 A E H X5S+ 0 0 27 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.912 113.3 47.4 -63.0 -41.7 48.1 82.2 18.3 465 465 A R H <5S+ 0 0 95 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.914 121.0 36.9 -66.3 -41.1 48.8 81.3 21.9 466 466 A L H <5S+ 0 0 14 -4,-2.6 -268,-0.3 -5,-0.2 -2,-0.2 0.880 136.7 15.1 -77.8 -38.2 50.9 78.3 21.0 467 467 A H H <5S- 0 0 36 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.458 101.9-116.8-120.9 -9.5 52.7 79.6 17.9 468 468 A G ><< - 0 0 30 -4,-2.0 3,-1.6 -5,-0.5 4,-0.2 0.031 41.8 -67.9 85.5 162.5 52.3 83.4 17.8 469 469 A L G > S+ 0 0 47 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.792 124.5 70.0 -56.7 -31.8 50.5 85.7 15.3 470 470 A D G >> S+ 0 0 38 1,-0.3 3,-2.6 2,-0.2 4,-0.7 0.724 78.2 78.9 -64.1 -21.5 53.1 84.9 12.6 471 471 A A G <4 S+ 0 0 6 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.724 92.3 52.6 -59.0 -20.6 51.8 81.3 12.4 472 472 A F G <4 S+ 0 0 4 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.334 116.5 38.9 -91.5 6.5 48.9 82.8 10.2 473 473 A S T <4 S+ 0 0 29 -3,-2.6 -2,-0.2 54,-0.1 -1,-0.1 0.345 72.5 135.4-143.8 5.2 51.4 84.5 7.9 474 474 A L < + 0 0 11 -4,-0.7 2,-0.3 -3,-0.1 -99,-0.2 -0.290 23.9 159.5 -61.6 146.6 54.5 82.4 7.2 475 475 A H B +Q 374 0I 76 -101,-1.8 -101,-2.8 1,-0.2 -2,-0.0 -0.937 41.8 53.0-155.2 174.1 55.6 82.3 3.5 476 476 A T - 0 0 97 -2,-0.3 -1,-0.2 -103,-0.2 2,-0.0 0.977 68.8-171.7 54.7 60.0 58.8 81.5 1.5 477 477 A Y - 0 0 18 -104,-0.2 -104,-0.2 1,-0.1 -1,-0.1 -0.260 29.7 -81.6 -73.2 170.7 59.4 78.1 3.0 478 478 A T > - 0 0 19 -106,-0.5 4,-2.8 1,-0.1 5,-0.3 -0.295 29.0-118.4 -79.4 159.0 62.6 76.1 2.3 479 479 A P H > S+ 0 0 103 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.912 116.2 54.4 -60.5 -41.7 63.3 74.0 -0.8 480 480 A H H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.921 112.6 43.4 -54.0 -48.7 63.7 71.0 1.4 481 481 A E H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.942 115.6 45.6 -66.2 -50.3 60.3 71.6 3.0 482 482 A L H X S+ 0 0 67 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.895 113.4 50.8 -60.7 -41.7 58.4 72.4 -0.2 483 483 A T H X S+ 0 0 85 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.916 111.2 48.6 -61.3 -44.1 60.0 69.4 -2.1 484 484 A R H X S+ 0 0 40 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.922 113.4 46.0 -64.3 -44.3 59.0 67.1 0.8 485 485 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.945 114.4 47.0 -65.3 -47.2 55.4 68.3 0.9 486 486 A A H X S+ 0 0 42 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.883 111.7 52.4 -64.2 -35.7 54.9 68.2 -2.9 487 487 A S H X S+ 0 0 43 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.902 108.9 49.2 -64.4 -42.7 56.5 64.7 -2.9 488 488 A A H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.909 111.8 48.3 -64.4 -43.3 54.1 63.4 -0.3 489 489 A L H X>S+ 0 0 2 -4,-2.2 5,-3.1 1,-0.2 4,-1.0 0.914 113.0 48.5 -61.3 -43.1 51.0 64.8 -2.1 490 490 A R H <5S+ 0 0 165 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.908 111.1 50.4 -64.5 -42.1 52.2 63.3 -5.4 491 491 A K H <5S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.866 114.4 43.3 -64.1 -39.7 52.8 59.9 -3.7 492 492 A L H <5S- 0 0 0 -4,-2.0 -459,-1.9 -5,-0.1 -1,-0.2 0.583 112.1-117.5 -82.6 -12.5 49.4 59.9 -2.1 493 493 A G T <5 + 0 0 1 -4,-1.0 -461,-1.8 -3,-0.4 -3,-0.2 0.854 63.1 153.0 72.3 34.9 47.6 61.1 -5.3 494 494 A A < - 0 0 10 -5,-3.1 -1,-0.2 -463,-0.3 -463,-0.2 -0.582 54.7 -88.9 -90.4 157.1 46.5 64.2 -3.4 495 495 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.407 51.0-107.7 -63.8 145.7 45.8 67.6 -5.1 496 496 A P >> - 0 0 48 0, 0.0 3,-1.4 0, 0.0 4,-1.3 -0.261 33.4 -97.9 -72.6 164.1 48.9 69.7 -5.4 497 497 A L H 3> S+ 0 0 29 1,-0.3 4,-1.9 2,-0.2 3,-0.3 0.838 122.0 59.7 -53.0 -40.6 49.3 72.8 -3.2 498 498 A R H 3> S+ 0 0 198 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.853 104.4 50.8 -58.6 -33.4 48.2 75.2 -5.9 499 499 A A H <> S+ 0 0 31 -3,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.833 105.7 55.5 -76.3 -30.0 44.8 73.3 -6.1 500 500 A W H X S+ 0 0 1 -4,-1.3 4,-2.7 -3,-0.3 -2,-0.2 0.896 103.1 55.6 -65.9 -38.0 44.4 73.6 -2.3 501 501 A K H X S+ 0 0 76 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.901 106.0 51.7 -61.1 -40.6 44.8 77.4 -2.6 502 502 A S H X S+ 0 0 72 -4,-1.3 4,-0.8 1,-0.2 3,-0.3 0.926 112.8 45.0 -59.3 -46.1 41.9 77.4 -5.1 503 503 A R H >X S+ 0 0 96 -4,-1.8 4,-1.9 1,-0.2 3,-0.5 0.877 106.8 59.8 -64.9 -39.1 39.7 75.4 -2.7 504 504 A A H 3X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.799 93.7 64.0 -66.4 -29.3 40.6 77.5 0.3 505 505 A R H 3X S+ 0 0 127 -4,-1.3 4,-2.4 -3,-0.3 -1,-0.2 0.930 108.3 41.8 -58.1 -42.8 39.3 80.8 -1.2 506 506 A A H < S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 4,-0.3 0.925 111.6 49.3 -62.7 -45.1 33.4 80.8 7.0 512 512 A I H >< S+ 0 0 37 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.872 102.4 61.5 -63.6 -36.1 33.3 84.6 6.8 513 513 A S H 3< S+ 0 0 100 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.728 98.6 59.0 -64.9 -19.9 29.7 84.6 5.6 514 514 A R T << S- 0 0 114 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.574 94.2-157.5 -83.7 -11.0 28.7 82.9 8.9 515 515 A G X> + 0 0 31 -3,-1.8 4,-1.4 -4,-0.3 3,-0.8 -0.042 52.0 61.3 59.1-168.9 30.1 85.7 11.1 516 516 A G H 3> S- 0 0 64 1,-0.2 4,-1.3 2,-0.2 3,-0.2 -0.148 120.2 -17.6 58.4-144.9 31.1 85.1 14.7 517 517 A R H 3> S+ 0 0 112 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.809 136.4 60.0 -66.2 -31.3 33.9 82.6 15.5 518 518 A A H <> S+ 0 0 7 -3,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.912 104.1 49.7 -61.5 -42.9 33.6 81.0 12.1 519 519 A A H X S+ 0 0 3 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.831 106.6 55.7 -67.6 -32.6 34.4 84.3 10.4 520 520 A V H X S+ 0 0 40 -4,-1.3 4,-2.8 2,-0.2 5,-0.4 0.937 107.9 49.5 -60.9 -46.8 37.4 84.7 12.7 521 521 A C H X>S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 5,-0.6 0.908 111.2 49.6 -55.6 -45.1 38.6 81.3 11.5 522 522 A G H X5S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.940 115.6 41.6 -61.8 -45.7 38.1 82.4 7.9 523 523 A R H <5S+ 0 0 107 -4,-2.4 11,-0.2 2,-0.1 -2,-0.2 0.898 125.9 31.8 -71.1 -43.1 40.0 85.6 8.3 524 524 A Y H ><5S+ 0 0 21 -4,-2.8 3,-0.7 -5,-0.2 4,-0.2 0.930 122.2 42.4 -82.7 -50.6 42.9 84.2 10.4 525 525 A L H 3<5S+ 0 0 2 -4,-1.9 3,-0.2 -5,-0.4 -3,-0.2 0.780 124.6 34.9 -71.4 -25.9 43.4 80.6 9.3 526 526 A F T ><> - 0 0 13 1,-0.1 3,-0.9 -79,-0.1 4,-0.8 -0.727 4.0-143.4 -87.1 129.6 43.0 87.9 19.6 540 540 A P H 3> S+ 0 0 82 0, 0.0 4,-0.8 0, 0.0 3,-0.4 0.837 100.3 58.6 -56.9 -36.0 41.6 88.7 23.0 541 541 A E H 34 S+ 0 0 84 1,-0.2 4,-0.3 2,-0.2 3,-0.2 0.797 94.1 66.4 -67.4 -28.2 40.7 85.1 23.6 542 542 A A H X4 S+ 0 0 4 -3,-0.9 3,-1.3 1,-0.2 -1,-0.2 0.892 99.6 48.1 -62.9 -42.5 44.3 83.9 23.1 543 543 A R H 3< S+ 0 0 199 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.790 104.9 61.9 -69.4 -25.6 45.5 85.6 26.3 544 544 A L T 3< S+ 0 0 125 -4,-0.8 2,-0.3 -3,-0.2 -1,-0.2 0.497 83.1 108.0 -76.9 -4.0 42.6 84.1 28.2 545 545 A L < - 0 0 36 -3,-1.3 2,-1.2 -4,-0.3 3,-0.2 -0.613 65.3-143.2 -82.5 133.3 43.8 80.5 27.4 546 546 A D + 0 0 132 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.681 55.4 127.1 -90.5 82.6 45.4 78.4 30.1 547 547 A L > + 0 0 6 -2,-1.2 3,-1.9 1,-0.1 4,-0.4 0.394 25.6 108.9-121.1 1.0 48.1 76.6 28.1 548 548 A S T 3 S+ 0 0 88 1,-0.3 3,-0.2 -3,-0.2 4,-0.2 0.827 100.1 20.4 -54.3 -37.0 51.4 77.2 29.9 549 549 A S T 3> S+ 0 0 54 1,-0.1 4,-2.1 2,-0.1 -1,-0.3 0.014 85.9 125.4-119.1 28.1 51.7 73.5 31.0 550 550 A W T <4 S+ 0 0 13 -3,-1.9 4,-0.2 1,-0.2 -2,-0.1 0.820 82.1 37.9 -59.5 -33.9 49.3 72.1 28.4 551 551 A F T >4>S+ 0 0 5 -4,-0.4 3,-1.7 -357,-0.3 5,-0.5 0.908 110.1 58.9 -85.2 -44.2 52.0 69.6 27.2 552 552 A T G >45S+ 0 0 18 -358,-0.4 3,-2.0 1,-0.3 -2,-0.2 0.861 98.6 60.7 -46.7 -43.4 53.5 68.8 30.6 553 553 A V G 3<5S+ 0 0 24 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.627 90.3 68.7 -70.5 -13.4 50.1 67.5 32.0 554 554 A G G X 5S- 0 0 1 -3,-1.7 3,-2.1 -361,-0.2 -1,-0.3 0.602 95.6-142.2 -77.0 -12.4 50.0 64.8 29.3 555 555 A A T < 5 - 0 0 1 -3,-2.0 -266,-0.3 -4,-0.3 -267,-0.1 0.704 62.0 -61.0 59.8 23.5 52.9 63.1 31.1 556 556 A G T 3