==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-JUL-06 2HPM . COMPND 2 MOLECULE: DNA POLYMERASE III ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR S.BAILEY,R.A.WING,T.A.STEITZ . 1143 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54790.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 796 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 7.1 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 72 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 143 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 396 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.8 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 4 2 5 3 4 3 5 5 2 0 2 5 0 1 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 4 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 3 4 0 2 2 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 4 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 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 5 A L 0 0 130 0, 0.0 2,-0.3 0, 0.0 259,-0.0 0.000 360.0 360.0 360.0 144.2 -51.4 26.3 40.9 2 6 A K - 0 0 74 244,-0.1 2,-0.3 243,-0.1 265,-0.2 -0.960 360.0-156.1-159.2 177.0 -50.4 23.0 39.2 3 7 A F - 0 0 6 -2,-0.3 2,-0.3 263,-0.1 260,-0.1 -0.988 3.5-162.8-157.3 153.7 -49.2 21.4 36.0 4 8 A A - 0 0 14 -2,-0.3 266,-0.2 259,-0.2 34,-0.1 -0.894 26.7-119.2-151.1 121.7 -49.2 18.1 34.0 5 9 A H + 0 0 9 -2,-0.3 34,-1.4 32,-0.3 3,-0.1 -0.292 27.0 173.6 -63.6 129.1 -46.8 17.1 31.1 6 10 A L S S+ 0 0 0 195,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.419 74.4 56.0-112.3 -3.2 -48.2 16.3 27.6 7 11 A H + 0 0 0 194,-0.1 198,-1.4 82,-0.0 196,-0.6 -0.879 67.7 137.4-129.0 101.5 -44.9 15.9 25.9 8 12 A Q B -a 205 0A 0 -2,-0.4 33,-2.2 31,-0.4 198,-0.2 -0.957 35.8-151.0-148.2 121.6 -42.8 13.2 27.6 9 13 A H - 0 0 0 196,-3.7 2,-0.2 -2,-0.3 33,-0.1 -0.460 17.9-160.2 -90.0 163.1 -40.7 10.6 25.8 10 14 A T > - 0 0 0 -2,-0.2 3,-3.1 7,-0.1 10,-0.2 -0.765 43.3 -74.3-136.5-179.0 -40.0 7.2 27.4 11 15 A Q T 3 S+ 0 0 21 8,-2.3 532,-0.4 1,-0.3 6,-0.1 0.717 124.1 70.0 -47.6 -20.6 -37.7 4.2 27.3 12 16 A F T 3 + 0 0 10 7,-0.3 2,-0.9 1,-0.2 -1,-0.3 0.442 69.9 81.1 -86.8 -2.3 -39.7 3.5 24.2 13 17 A S S X> S- 0 0 3 -3,-3.1 4,-2.3 1,-0.2 3,-1.2 -0.400 80.1-166.5 -91.7 56.4 -38.2 6.3 22.1 14 18 A L T 34 + 0 0 16 -2,-0.9 -1,-0.2 1,-0.3 529,-0.1 0.432 69.2 46.4 -26.1 -42.2 -35.4 3.7 21.7 15 19 A L T 34 S+ 0 0 57 28,-0.1 -1,-0.3 -3,-0.1 208,-0.1 0.975 133.6 6.5 -72.2 -54.3 -32.7 5.9 20.3 16 20 A D T <4 S+ 0 0 17 -3,-1.2 2,-0.3 -6,-0.1 -2,-0.2 0.553 100.0 105.5-110.1 -8.9 -32.8 8.9 22.5 17 21 A G < + 0 0 0 -4,-2.3 190,-0.2 -7,-0.2 -7,-0.1 -0.553 28.0 164.7 -82.6 135.7 -35.3 8.1 25.3 18 22 A A + 0 0 11 188,-2.9 2,-1.0 -2,-0.3 190,-0.3 0.151 36.4 116.5-134.9 15.1 -34.0 7.3 28.8 19 23 A A - 0 0 0 187,-0.4 -8,-2.3 188,-0.2 -7,-0.3 -0.786 58.2-142.9 -95.5 100.5 -37.1 7.6 31.0 20 24 A K > - 0 0 33 -2,-1.0 4,-1.5 -10,-0.2 5,-0.3 -0.409 17.1-125.6 -61.6 132.8 -37.9 4.2 32.5 21 25 A L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.835 100.3 47.6 -52.1 -43.9 -41.7 3.7 32.6 22 26 A Q H > S+ 0 0 81 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.996 113.2 38.7 -66.0 -72.0 -41.8 2.9 36.4 23 27 A D H > S+ 0 0 62 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.665 117.2 56.1 -61.4 -12.9 -39.7 5.5 38.2 24 28 A L H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.924 105.1 49.8 -75.8 -50.8 -41.2 8.1 35.7 25 29 A L H X S+ 0 0 0 -4,-2.0 4,-1.0 -3,-0.3 -2,-0.2 0.775 114.1 44.8 -62.3 -28.7 -44.8 7.2 36.6 26 30 A K H X S+ 0 0 81 -4,-1.8 4,-3.7 2,-0.2 5,-0.3 0.862 108.2 57.6 -79.4 -35.1 -44.1 7.6 40.3 27 31 A W H X S+ 0 0 69 -4,-1.1 4,-0.9 -5,-0.3 -2,-0.2 0.857 109.1 46.3 -61.9 -35.1 -42.1 10.8 39.8 28 32 A V H X S+ 0 0 9 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.854 115.4 46.5 -72.5 -36.3 -45.2 12.3 38.2 29 33 A K H < S+ 0 0 85 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.896 111.2 50.1 -71.1 -43.4 -47.4 10.9 41.0 30 34 A E H < S+ 0 0 124 -4,-3.7 -1,-0.2 1,-0.2 -2,-0.2 0.735 110.7 52.9 -70.2 -22.7 -45.2 12.1 43.8 31 35 A T H < S+ 0 0 37 -4,-0.9 -2,-0.2 -5,-0.3 -1,-0.2 0.986 121.8 20.6 -72.8 -66.2 -45.1 15.6 42.2 32 36 A T < - 0 0 22 -4,-1.8 -1,-0.3 1,-0.2 -30,-0.0 -0.904 57.9-178.9-112.0 110.0 -48.8 16.2 41.8 33 37 A P + 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.907 63.4 86.6 -67.7 -39.8 -51.2 14.2 44.0 34 38 A E S S- 0 0 125 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.474 117.6 -39.0 -72.6 121.0 -54.4 15.8 42.5 35 39 A D S S- 0 0 141 -2,-0.3 -1,-0.2 1,-0.1 26,-0.1 0.779 82.5-158.9 32.5 58.7 -55.7 14.2 39.3 36 40 A P - 0 0 12 0, 0.0 26,-1.6 0, 0.0 2,-0.3 -0.244 11.8-172.1 -69.4 151.7 -52.2 13.5 38.0 37 41 A A E -b 62 0B 7 24,-0.2 2,-0.3 -9,-0.1 -32,-0.3 -0.995 16.0-174.1-145.3 152.3 -51.6 12.9 34.3 38 42 A L E -b 63 0B 1 24,-1.7 26,-2.2 -2,-0.3 2,-0.5 -0.971 13.9-149.0-145.4 132.1 -49.0 11.9 31.7 39 43 A A E -b 64 0B 0 -34,-1.4 2,-0.9 -2,-0.3 -31,-0.4 -0.836 14.1-143.3 -96.7 132.3 -49.0 11.7 28.0 40 44 A M E +b 65 0B 0 24,-3.4 26,-2.2 -2,-0.5 2,-0.4 -0.844 28.5 168.1 -95.9 101.6 -46.8 9.1 26.4 41 45 A T E -b 66 0B 0 -33,-2.2 26,-0.3 -2,-0.9 5,-0.1 -0.592 10.3-179.6-118.2 70.7 -45.4 10.7 23.3 42 46 A D E > -b 67 0B 0 24,-0.6 26,-1.5 -2,-0.4 2,-1.3 -0.276 42.5 -89.9 -68.0 153.3 -42.6 8.4 21.9 43 47 A H E 3 S-b 68 0B 21 1,-0.2 26,-0.2 -33,-0.2 -1,-0.1 -0.493 94.9 -36.8 -66.0 92.8 -40.6 9.2 18.8 44 48 A G T 3 S+ 0 0 0 24,-1.3 2,-0.3 -2,-1.3 -1,-0.2 0.828 117.4 81.5 61.7 38.8 -42.6 7.6 16.0 45 49 A N < - 0 0 6 -3,-0.5 -3,-0.3 1,-0.0 23,-0.2 -0.973 60.6-146.4-159.2 172.5 -43.9 4.4 17.6 46 50 A L + 0 0 0 -2,-0.3 4,-0.4 2,-0.1 -2,-0.0 0.237 59.1 124.0-122.8 6.8 -46.6 3.1 19.9 47 51 A F S S+ 0 0 4 -35,-0.2 4,-0.4 1,-0.2 532,-0.3 0.806 77.8 44.4 -39.2 -46.0 -44.4 0.5 21.5 48 52 A G S >> S+ 0 0 0 1,-0.1 4,-1.1 2,-0.1 3,-0.8 0.999 85.2 91.5 -63.6 -74.8 -45.2 1.9 24.9 49 53 A A H 3> S+ 0 0 0 1,-0.2 4,-3.8 2,-0.2 5,-0.2 0.264 92.3 34.1 14.9 -83.4 -48.9 2.5 24.8 50 54 A V H 3> S+ 0 0 0 -4,-0.4 4,-2.4 1,-0.2 5,-0.3 0.966 121.4 43.5 -59.1 -64.6 -50.4 -0.8 26.2 51 55 A E H <4 S+ 0 0 40 -3,-0.8 4,-0.4 -4,-0.4 -1,-0.2 0.707 120.9 47.4 -58.9 -19.6 -47.7 -1.8 28.8 52 56 A F H >X S+ 0 0 0 -4,-1.1 4,-2.3 -3,-0.2 3,-1.6 0.948 107.8 51.3 -78.3 -64.7 -47.7 1.9 29.8 53 57 A Y H 3X S+ 0 0 13 -4,-3.8 4,-1.9 1,-0.3 -2,-0.2 0.826 112.2 48.7 -38.6 -45.5 -51.5 2.5 30.0 54 58 A K H 3X S+ 0 0 87 -4,-2.4 4,-1.0 -5,-0.2 -1,-0.3 0.752 110.2 50.6 -75.7 -23.3 -51.8 -0.6 32.3 55 59 A K H <4 S+ 0 0 77 -3,-1.6 4,-0.2 -4,-0.4 -2,-0.2 0.895 116.2 39.9 -77.9 -42.0 -48.9 0.5 34.6 56 60 A A H >X>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 4,-1.8 0.829 110.2 60.2 -74.9 -33.0 -50.3 4.0 35.1 57 61 A T H 3<5S+ 0 0 76 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.2 0.866 113.5 35.8 -66.5 -36.0 -53.9 2.8 35.4 58 62 A A T 3<5S+ 0 0 90 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.348 113.7 59.6 -99.1 3.2 -53.1 0.5 38.4 59 63 A M T <45S- 0 0 71 -3,-0.6 -2,-0.2 -4,-0.2 -3,-0.2 0.703 119.7-103.2 -93.7 -29.6 -50.6 3.0 39.9 60 64 A G T <5S+ 0 0 53 -4,-1.8 2,-0.4 1,-0.4 -3,-0.2 0.385 81.7 119.6 120.1 3.4 -53.2 5.8 40.2 61 65 A V < - 0 0 3 -5,-2.1 -1,-0.4 -6,-0.2 -2,-0.2 -0.811 60.9-131.4-102.0 135.7 -52.2 8.0 37.2 62 66 A K E -b 37 0B 82 -26,-1.6 -24,-1.7 -2,-0.4 2,-0.2 -0.785 30.5-152.1 -79.4 121.4 -54.4 8.8 34.2 63 67 A P E -b 38 0B 13 0, 0.0 2,-0.4 0, 0.0 212,-0.3 -0.545 8.4-155.5 -87.9 157.0 -52.4 8.1 31.0 64 68 A I E -b 39 0B 0 -26,-2.2 -24,-3.4 -2,-0.2 2,-0.4 -0.987 16.9-132.5-133.5 131.9 -52.7 9.8 27.6 65 69 A I E +b 40 0B 2 27,-0.4 27,-2.3 -2,-0.4 2,-0.2 -0.678 37.4 161.1 -93.1 128.9 -51.6 8.1 24.5 66 70 A G E -bC 41 91B 0 -26,-2.2 -24,-0.6 -2,-0.4 2,-0.3 -0.828 31.6-147.9-146.1 177.4 -49.5 10.0 22.0 67 71 A Y E -bC 42 90B 0 23,-2.4 2,-1.8 -26,-0.3 23,-0.7 -0.827 11.7-153.9-157.5 96.9 -47.1 10.1 19.1 68 72 A E E -bC 43 89B 0 -26,-1.5 -24,-1.3 -2,-0.3 21,-0.2 -0.641 44.3-158.8 -73.5 90.8 -44.3 12.6 18.3 69 73 A A - 0 0 0 19,-2.3 2,-0.8 -2,-1.8 19,-0.5 -0.405 21.0-127.9 -81.2 144.8 -44.7 11.8 14.6 70 74 A Y E -f 118 0C 12 47,-0.7 49,-3.1 17,-0.2 2,-0.5 -0.835 28.8-168.0 -89.6 113.9 -42.3 12.2 11.9 71 75 A V E -fG 119 86C 0 15,-2.5 15,-4.0 -2,-0.8 49,-0.2 -0.908 15.9-131.1-104.2 130.0 -44.1 14.2 9.1 72 76 A A E - G 0 85C 1 47,-1.8 13,-0.2 -2,-0.5 49,-0.2 -0.473 18.9-117.1 -78.5 149.1 -42.4 14.4 5.7 73 77 A A S S- 0 0 12 11,-1.3 -1,-0.1 -2,-0.2 12,-0.1 0.954 97.8 -12.6 -42.9 -60.0 -42.0 17.6 3.9 74 78 A E S S+ 0 0 116 1,-0.3 47,-0.5 10,-0.3 2,-0.3 0.344 121.0 1.4-114.0-119.2 -44.2 16.2 1.2 75 79 A S > - 0 0 39 45,-0.1 3,-2.9 1,-0.1 -1,-0.3 -0.578 55.1-130.7 -83.0 138.1 -45.4 12.6 0.5 76 80 A R T 3 S+ 0 0 19 1,-0.3 42,-0.2 -2,-0.3 -1,-0.1 0.709 111.1 63.8 -53.2 -22.5 -44.6 9.7 2.7 77 81 A F T 3 S+ 0 0 110 35,-0.1 -1,-0.3 2,-0.0 36,-0.0 0.666 80.6 107.9 -77.5 -19.8 -43.6 8.0 -0.5 78 82 A D < - 0 0 44 -3,-2.9 -6,-0.0 1,-0.1 0, 0.0 -0.001 46.8-170.8 -54.9 163.6 -40.8 10.6 -1.2 79 83 A R + 0 0 109 35,-0.0 2,-0.6 2,-0.0 -1,-0.1 -0.369 16.7 178.8-152.6 58.8 -37.2 9.5 -0.9 80 84 A K 0 0 137 3,-0.3 -2,-0.0 4,-0.1 34,-0.0 -0.620 360.0 360.0 -89.6 119.8 -35.3 12.7 -1.1 81 85 A R 0 0 249 -2,-0.6 -1,-0.1 3,-0.0 3,-0.1 -0.791 360.0 360.0-100.0 360.0 -31.5 12.6 -0.8 82 ! 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 83 91 A G 0 0 74 0, 0.0 -3,-0.3 0, 0.0 -9,-0.1 0.000 360.0 360.0 360.0-163.7 -36.9 17.9 1.8 84 92 A G - 0 0 44 -12,-0.1 -11,-1.3 1,-0.1 2,-0.3 0.574 360.0 -86.5 -85.8-132.6 -36.5 16.2 5.2 85 93 A Y E -G 72 0C 75 -13,-0.2 -13,-0.3 -12,-0.1 2,-0.2 -0.961 36.4-154.3-147.5 142.2 -39.0 15.1 7.9 86 94 A F E -G 71 0C 32 -15,-4.0 -15,-2.5 -2,-0.3 54,-0.2 -0.638 17.3-107.2-114.7 170.2 -40.3 17.2 10.7 87 95 A H B -h 140 0D 37 52,-0.9 54,-0.8 -17,-0.2 2,-0.2 -0.563 28.9-179.1 -92.1 163.3 -41.7 16.6 14.2 88 96 A L - 0 0 0 -19,-0.5 -19,-2.3 -2,-0.2 2,-0.5 -0.755 22.6-135.7-166.2 119.0 -45.3 16.8 15.4 89 97 A T E -CD 68 134B 0 45,-1.1 45,-1.8 -21,-0.2 2,-0.4 -0.616 28.8-177.6 -81.7 120.4 -46.9 16.3 18.8 90 98 A L E -CD 67 133B 0 -23,-0.7 -23,-2.4 -2,-0.5 2,-0.4 -0.976 10.1-175.3-125.2 132.5 -50.1 14.2 18.6 91 99 A L E -CD 66 132B 1 41,-3.0 41,-2.9 -2,-0.4 2,-0.6 -0.972 22.1-134.0-123.4 138.9 -52.5 13.1 21.4 92 100 A A E - D 0 131B 0 -27,-2.3 -27,-0.4 -2,-0.4 39,-0.2 -0.822 19.7-176.2 -93.3 117.3 -55.6 10.9 21.1 93 101 A K + 0 0 72 37,-1.7 2,-0.2 -2,-0.6 -1,-0.2 0.909 67.2 16.2 -85.9 -43.7 -58.6 12.4 22.9 94 102 A D S >> S- 0 0 67 36,-0.6 4,-1.3 179,-0.1 3,-0.6 -0.755 93.2 -91.9-120.3 175.0 -61.2 9.6 22.5 95 103 A F H 3> S+ 0 0 58 179,-0.4 4,-2.3 1,-0.3 5,-0.1 0.842 123.6 58.2 -57.5 -40.4 -60.9 6.0 21.6 96 104 A T H 3> S+ 0 0 44 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.927 104.8 55.6 -54.0 -42.2 -61.4 6.5 17.8 97 105 A G H <> S+ 0 0 0 -3,-0.6 4,-2.0 1,-0.2 -1,-0.3 0.911 103.1 53.3 -53.4 -46.4 -58.4 8.8 18.2 98 106 A Y H X S+ 0 0 2 -4,-1.3 4,-2.8 2,-0.2 -1,-0.2 0.927 108.7 49.5 -56.4 -47.0 -56.4 5.9 19.6 99 107 A Q H X S+ 0 0 43 -4,-2.3 4,-3.2 1,-0.2 -2,-0.2 0.973 110.0 50.3 -53.8 -55.2 -57.3 3.8 16.6 100 108 A N H X S+ 0 0 4 -4,-2.7 4,-2.2 29,-0.3 -1,-0.2 0.776 110.0 51.7 -59.5 -26.3 -56.2 6.6 14.2 101 109 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 5,-0.3 0.948 109.7 48.2 -70.2 -48.4 -53.0 6.8 16.2 102 110 A V H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 464,-0.4 0.909 113.3 50.0 -54.6 -42.8 -52.5 3.0 15.8 103 111 A R H X S+ 0 0 52 -4,-3.2 4,-3.3 2,-0.2 -1,-0.2 0.950 110.2 48.2 -62.5 -51.2 -53.2 3.4 12.1 104 112 A L H X S+ 0 0 0 -4,-2.2 4,-3.5 1,-0.2 5,-0.2 0.934 113.2 45.0 -56.1 -55.3 -50.8 6.3 11.6 105 113 A A H X S+ 0 0 0 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.813 114.6 52.4 -61.1 -31.6 -47.8 4.7 13.3 106 114 A S H >X S+ 0 0 1 -4,-1.8 4,-2.0 -5,-0.3 3,-1.1 0.982 114.5 40.4 -62.0 -55.8 -48.7 1.5 11.4 107 115 A R H 3X>S+ 0 0 52 -4,-3.3 4,-1.9 1,-0.3 5,-1.6 0.816 105.9 64.3 -63.4 -35.5 -48.7 3.4 8.1 108 116 A A H 3<5S+ 0 0 0 -4,-3.5 10,-0.8 1,-0.2 -1,-0.3 0.781 111.8 38.7 -59.4 -27.9 -45.6 5.5 9.0 109 117 A Y H <<5S+ 0 0 42 -3,-1.1 4,-0.3 -4,-0.7 -2,-0.2 0.856 124.0 35.3 -89.7 -43.5 -43.8 2.2 9.0 110 118 A L H <5S+ 0 0 65 -4,-2.0 3,-0.3 2,-0.1 -3,-0.2 0.977 131.7 22.9 -78.8 -54.9 -45.4 0.3 6.1 111 119 A E T <5S+ 0 0 59 -4,-1.9 -3,-0.2 1,-0.2 -4,-0.1 0.818 130.3 33.1 -86.3 -34.2 -46.0 3.2 3.6 112 120 A G < + 0 0 0 -5,-1.6 6,-3.4 6,-0.1 2,-0.8 -0.267 68.3 139.6-127.4 49.8 -43.6 5.9 4.6 113 121 A F B +I 117 0E 98 -3,-0.3 -4,-0.1 -4,-0.3 -5,-0.0 -0.828 11.3 138.4 -95.8 110.2 -40.3 4.5 6.0 114 122 A Y S S- 0 0 58 2,-1.8 -1,-0.1 -2,-0.8 -35,-0.0 0.703 88.5 -35.0-103.0 -82.8 -37.2 6.4 4.8 115 123 A E S S+ 0 0 135 1,-0.5 -2,-0.1 0, 0.0 0, 0.0 0.730 141.3 18.4-105.5 -47.1 -34.7 6.9 7.6 116 124 A K S S- 0 0 54 -4,-0.1 -2,-1.8 -8,-0.0 2,-0.6 -0.711 104.3 -90.4-109.0 165.2 -37.3 7.3 10.3 117 125 A P B -I 113 0E 7 0, 0.0 -47,-0.7 0, 0.0 2,-0.3 -0.750 54.9-166.2 -86.2 121.6 -40.9 6.2 9.9 118 126 A R E -f 70 0C 6 -6,-3.4 2,-0.3 -10,-0.8 -47,-0.2 -0.827 17.0-151.9-119.1 142.6 -42.8 9.1 8.4 119 127 A I E -f 71 0C 0 -49,-3.1 -47,-1.8 -2,-0.3 2,-0.1 -0.809 20.7-123.8-106.4 150.5 -46.5 10.1 7.9 120 128 A D > - 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0 0 96 66,-0.1 5,-0.1 4,-0.1 66,-0.0 -0.462 360.0-175.7 -83.6 77.7 -58.0 -48.4 26.8 357 379 A T > - 0 0 69 -2,-1.5 4,-1.6 1,-0.1 5,-0.1 0.076 41.7 -97.9 -68.7 173.6 -61.2 -49.9 25.2 358 380 A A H > S+ 0 0 14 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.811 125.6 43.6 -60.9 -36.6 -63.3 -48.7 22.3 359 381 A E H > S+ 0 0 116 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.942 105.8 60.9 -70.6 -52.9 -65.8 -46.9 24.7 360 382 A A H > S+ 0 0 30 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.832 106.8 48.7 -43.8 -40.0 -63.1 -45.5 26.8 361 383 A I H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 -1,-0.3 0.956 109.6 49.7 -69.4 -52.4 -61.9 -43.7 23.8 362 384 A L H X S+ 0 0 15 -4,-1.5 4,-3.3 2,-0.2 5,-0.3 0.956 111.9 49.8 -46.3 -60.5 -65.4 -42.4 22.8 363 385 A H H X S+ 0 0 99 -4,-2.7 4,-3.4 1,-0.2 5,-0.3 0.941 112.6 43.9 -44.4 -71.8 -65.9 -41.1 26.3 364 386 A R H X S+ 0 0 27 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.872 117.2 49.8 -42.1 -44.7 -62.6 -39.2 26.6 365 387 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.953 113.9 42.4 -59.3 -52.8 -63.3 -37.9 23.1 366 388 A L H X S+ 0 0 26 -4,-3.3 4,-2.1 2,-0.2 -2,-0.2 0.851 115.0 51.8 -64.5 -39.8 -66.8 -36.7 23.8 367 389 A Y H X S+ 0 0 72 -4,-3.4 4,-2.4 -5,-0.3 3,-0.4 0.975 107.0 51.2 -59.9 -58.3 -65.8 -35.3 27.1 368 390 A E H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.3 -2,-0.2 0.906 112.8 47.8 -45.1 -47.5 -63.0 -33.3 25.6 369 391 A L H X S+ 0 0 0 -4,-2.1 4,-3.5 1,-0.2 -1,-0.3 0.846 107.9 55.0 -64.4 -37.5 -65.5 -31.9 23.0 370 392 A S H X S+ 0 0 25 -4,-2.1 4,-2.3 -3,-0.4 -1,-0.2 0.888 111.9 43.4 -60.3 -44.0 -68.0 -31.1 25.8 371 393 A V H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.806 114.7 51.2 -73.1 -32.9 -65.4 -29.0 27.6 372 394 A I H X>S+ 0 0 0 -4,-2.1 5,-1.5 -5,-0.3 4,-1.2 0.986 112.8 43.9 -67.3 -56.1 -64.3 -27.5 24.3 373 395 A E H ><5S+ 0 0 59 -4,-3.5 3,-1.0 1,-0.2 -2,-0.2 0.929 112.3 51.6 -54.2 -53.0 -67.8 -26.5 23.2 374 396 A R H 3<5S+ 0 0 159 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.839 108.6 52.3 -54.3 -36.5 -68.8 -25.2 26.6 375 397 A M H 3<5S- 0 0 31 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.733 112.4-113.0 -76.6 -24.1 -65.7 -22.9 26.8 376 398 A G T <<5S+ 0 0 45 -4,-1.2 4,-0.3 -3,-1.0 -3,-0.2 0.577 82.4 115.4 98.9 17.8 -66.2 -21.2 23.4 377 399 A F >< + 0 0 5 -5,-1.5 4,-1.1 -6,-0.2 -4,-0.2 -0.103 31.0 101.0-112.8 34.2 -63.1 -22.7 21.8 378 400 A P H > S+ 0 0 12 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.955 85.4 51.6 -79.4 -44.2 -64.3 -25.0 18.9 379 401 A G H >> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 3,-0.7 0.935 106.0 56.5 -44.5 -59.5 -63.4 -22.3 16.3 380 402 A Y H 3> S+ 0 0 0 -4,-0.3 4,-2.2 1,-0.3 -1,-0.2 0.891 105.3 50.2 -38.1 -58.0 -59.9 -22.0 17.7 381 403 A F H 3X S+ 0 0 1 -4,-1.1 4,-3.2 2,-0.2 -1,-0.3 0.862 111.3 50.0 -57.1 -38.2 -59.2 -25.7 17.3 382 404 A L H S+ 0 0 0 -4,-2.1 5,-1.9 1,-0.2 -2,-0.2 0.777 105.2 58.2 -50.5 -31.4 -48.7 -28.1 5.9 392 414 A R H ><5S+ 0 0 73 -4,-1.5 3,-1.3 1,-0.2 4,-0.3 0.985 109.1 41.0 -60.8 -60.5 -48.7 -31.9 5.9 393 415 A G H 3<5S+ 0 0 67 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.562 113.4 58.4 -65.2 -8.9 -50.1 -32.2 2.4 394 416 A H T 3<5S- 0 0 94 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.119 119.8 -95.4-114.3 23.1 -47.8 -29.4 1.2 395 417 A G T < 5S+ 0 0 49 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.914 82.0 128.7 67.9 47.8 -44.3 -30.7 2.1 396 418 A V < - 0 0 4 -5,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 -0.863 56.3-131.3-134.5 97.6 -43.9 -29.0 5.5 397 419 A S - 0 0 29 -2,-0.4 50,-1.9 49,-0.1 2,-0.5 -0.135 19.1-156.1 -50.7 136.6 -42.9 -31.3 8.3 398 420 A V B -M 446 0I 19 48,-0.2 48,-0.2 201,-0.1 -1,-0.1 -0.981 12.1-130.8-120.9 123.6 -45.0 -31.0 11.5 399 421 A G - 0 0 0 46,-0.5 46,-0.3 -2,-0.5 3,-0.1 -0.314 32.2-102.3 -66.9 152.0 -43.7 -32.0 14.9 400 422 A P S S- 0 0 6 0, 0.0 18,-3.6 0, 0.0 2,-0.2 0.588 76.3 -96.3 -50.4 -17.5 -45.8 -34.2 17.3 401 423 A G - 0 0 2 16,-0.2 2,-0.3 17,-0.1 43,-0.2 -0.618 37.0-105.2 128.4 178.4 -46.6 -31.0 19.1 402 424 A R > - 0 0 68 41,-0.8 3,-0.6 -2,-0.2 41,-0.5 -0.999 60.4 -10.8-147.0 150.5 -45.4 -29.1 22.2 403 425 A G G > S- 0 0 20 -2,-0.3 3,-1.4 1,-0.2 4,-0.2 -0.174 114.9 -20.1 68.1-159.7 -46.3 -28.3 25.7 404 426 A S G > S+ 0 0 27 1,-0.3 3,-2.0 2,-0.1 4,-0.3 0.777 119.8 81.4 -51.0 -36.0 -49.7 -29.0 27.3 405 427 A A G X S+ 0 0 2 -3,-0.6 3,-1.9 36,-0.4 -1,-0.3 0.777 78.0 68.9 -36.7 -47.6 -51.4 -29.3 23.9 406 428 A A G < S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.3 13,-0.2 0.726 89.7 63.3 -46.4 -36.7 -50.2 -32.9 23.4 407 429 A G G < S+ 0 0 0 -3,-2.0 2,-0.4 20,-0.3 -1,-0.3 0.505 77.1 95.9 -78.9 -12.1 -52.5 -34.3 26.1 408 430 A S <> - 0 0 0 -3,-1.9 4,-1.3 -4,-0.3 9,-0.2 -0.710 61.8-153.6 -79.9 131.8 -55.8 -33.4 24.5 409 431 A L H > S+ 0 0 0 -2,-0.4 4,-2.8 2,-0.2 5,-0.2 0.899 96.8 52.4 -69.9 -43.3 -57.3 -36.3 22.5 410 432 A V H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 6,-0.2 0.969 107.1 54.5 -55.9 -50.3 -59.3 -34.1 20.2 411 433 A A H 4>S+ 0 0 0 1,-0.3 5,-2.6 2,-0.2 6,-1.7 0.861 115.4 39.1 -47.0 -42.5 -56.0 -32.2 19.5 412 434 A Y H ><5S+ 0 0 23 -4,-1.3 3,-0.8 4,-0.2 -1,-0.3 0.740 110.8 59.2 -83.7 -24.9 -54.5 -35.6 18.6 413 435 A A H 3<5S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.871 109.5 43.5 -70.3 -34.2 -57.6 -36.8 16.8 414 436 A V T 3<5S- 0 0 3 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.183 118.2-106.5-101.7 16.7 -57.5 -33.9 14.4 415 437 A G T < 5S+ 0 0 2 -3,-0.8 -3,-0.2 2,-0.2 3,-0.1 0.806 90.9 111.8 64.7 32.9 -53.8 -33.9 13.7 416 438 A I S > - 0 0 23 -2,-0.3 4,-1.5 1,-0.2 3,-0.9 -0.476 34.2-162.3 -66.9 105.2 -51.2 -41.0 21.3 421 443 A P T 34>S+ 0 0 0 0, 0.0 5,-0.8 0, 0.0 -1,-0.2 0.661 86.2 43.1 -70.6 -14.4 -52.1 -39.1 24.4 422 444 A L T 345S+ 0 0 9 3,-0.1 -66,-0.1 1,-0.1 -2,-0.1 0.535 101.5 63.3-111.4 -9.4 -53.6 -42.1 26.1 423 445 A R T <45S+ 0 0 122 -3,-0.9 2,-0.2 2,-0.0 -1,-0.1 0.743 115.7 40.4 -77.5 -26.6 -51.0 -44.6 25.2 424 446 A F T <5S- 0 0 11 -4,-1.5 366,-0.0 -5,-0.0 -5,-0.0 -0.602 109.6 -96.2-107.4 178.7 -48.8 -42.3 27.3 425 447 A G T 5 + 0 0 20 -2,-0.2 365,-0.1 2,-0.0 -3,-0.1 0.081 68.5 148.3 -86.5 27.1 -49.9 -40.6 30.5 426 448 A L < - 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0 0 56 -3,-0.6 4,-1.9 1,-0.1 5,-0.2 0.034 69.4-122.0 -45.4 142.3 -25.2 -32.7 25.8 647 673 A G H > S+ 0 0 76 2,-0.2 4,-0.9 1,-0.1 3,-0.1 0.977 115.7 27.0 -40.7 -66.6 -21.7 -33.1 26.9 648 674 A G H >> S+ 0 0 34 1,-0.2 4,-1.7 2,-0.2 3,-0.6 0.936 113.5 61.7 -66.4 -54.2 -23.1 -34.5 30.2 649 675 A M H 3> S+ 0 0 9 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.820 99.9 58.9 -46.9 -39.4 -26.5 -35.9 29.2 650 676 A T H 3X S+ 0 0 25 -4,-1.9 4,-1.9 1,-0.2 -1,-0.3 0.965 103.1 51.4 -52.2 -56.0 -24.7 -38.4 26.9 651 677 A A H << S+ 0 0 54 -4,-0.9 4,-0.5 -3,-0.6 -2,-0.2 0.904 106.9 55.2 -49.0 -49.9 -22.8 -39.8 29.8 652 678 A T H >X S+ 0 0 27 -4,-1.7 3,-2.4 1,-0.2 4,-1.9 0.945 105.8 50.1 -49.0 -58.2 -26.1 -40.3 31.8 653 679 A V H 3X S+ 0 0 1 -4,-2.0 4,-3.6 1,-0.3 3,-0.2 0.891 101.7 61.4 -49.8 -50.4 -27.7 -42.3 29.0 654 680 A R H 3< S+ 0 0 133 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.606 113.2 39.7 -51.1 -14.7 -24.7 -44.7 28.7 655 681 A G H <4 S+ 0 0 30 -3,-2.4 -1,-0.3 -4,-0.5 -2,-0.2 0.687 115.7 48.5-106.2 -31.3 -25.5 -45.6 32.3 656 682 A L H < S- 0 0 1 -4,-1.9 -2,-0.2 -3,-0.2 -3,-0.2 0.870 80.6-165.3 -76.6 -37.8 -29.2 -45.6 32.1 657 683 A K < - 0 0 86 -4,-3.6 -23,-0.1 -24,-0.2 -3,-0.1 0.953 20.8-145.0 49.4 63.4 -29.3 -47.8 29.0 658 684 A P - 0 0 1 0, 0.0 -24,-0.2 0, 0.0 -1,-0.1 -0.304 22.8-172.1 -70.4 137.4 -33.0 -47.0 28.4 659 685 A R + 0 0 138 1,-0.2 2,-0.3 -3,-0.1 -29,-0.2 0.716 65.6 29.5-101.3 -27.2 -35.1 -49.8 26.9 660 686 A R S >> S- 0 0 92 1,-0.1 3,-2.9 -30,-0.1 4,-0.8 -0.954 85.1-103.9-136.3 156.0 -38.4 -48.1 26.1 661 687 A L H >> S+ 0 0 1 -37,-0.8 4,-2.6 -2,-0.3 3,-1.0 0.861 114.3 69.0 -43.6 -49.9 -39.5 -44.6 25.1 662 688 A E H 3> S+ 0 0 18 1,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.512 98.7 54.3 -50.5 -9.5 -40.8 -43.8 28.6 663 689 A D H <> S+ 0 0 0 -3,-2.9 4,-2.5 2,-0.2 -1,-0.3 0.833 106.6 46.8 -90.5 -47.2 -37.2 -43.9 29.6 664 690 A I H X S+ 0 0 4 -4,-2.5 4,-2.0 2,-0.2 3,-1.0 0.987 111.0 44.0 -67.6 -69.9 -34.4 -39.1 31.2 668 694 A V H 3< S+ 0 0 8 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.784 114.9 52.2 -34.3 -46.7 -35.0 -35.9 29.3 669 695 A S H 3< S+ 0 0 3 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.872 113.7 39.4 -68.1 -42.7 -37.4 -34.7 32.1 670 696 A L H << S+ 0 0 9 -4,-1.7 2,-1.4 -3,-1.0 6,-0.4 0.740 90.3 96.3 -81.8 -23.5 -35.1 -35.3 35.1 671 697 A Y < + 0 0 53 -4,-2.0 -1,-0.1 4,-0.1 -22,-0.0 -0.577 62.0 86.0 -78.4 93.1 -31.9 -34.1 33.5 672 698 A R S > S- 0 0 102 -2,-1.4 4,-2.4 0, 0.0 -3,-0.0 -0.803 93.5 -65.9-177.3 150.2 -31.7 -30.4 34.7 673 699 A P T 4 S+ 0 0 106 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.142 117.7 17.6 -51.0 133.0 -30.2 -28.9 37.9 674 700 A G T >4 S+ 0 0 35 1,-0.1 3,-1.1 0, 0.0 4,-0.3 -0.794 125.1 47.7 107.6 -90.4 -32.3 -29.9 40.9 675 701 A P G >4 S+ 0 0 7 0, 0.0 3,-4.2 0, 0.0 4,-0.3 0.926 90.4 90.2 -46.8 -48.3 -34.3 -33.0 39.8 676 702 A M G >< S+ 0 0 78 -4,-2.4 3,-2.7 -6,-0.4 -6,-0.1 0.671 76.9 62.3 -8.6 -63.4 -30.9 -34.3 38.4 677 703 A E G <> S+ 0 0 139 -3,-1.1 4,-0.6 1,-0.3 -1,-0.3 0.759 89.9 65.9 -48.1 -33.2 -30.2 -36.0 41.7 678 704 A H H <> S+ 0 0 52 -3,-4.2 4,-1.8 -4,-0.3 -1,-0.3 0.496 86.0 82.0 -69.8 2.1 -33.3 -38.3 41.4 679 705 A I H <> S+ 0 0 12 -3,-2.7 4,-2.5 -4,-0.3 -1,-0.2 0.917 81.8 52.5 -78.0 -47.5 -31.4 -39.8 38.4 680 706 A P H > S+ 0 0 59 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.942 110.7 50.8 -53.2 -46.1 -29.1 -42.2 40.1 681 707 A T H X S+ 0 0 31 -4,-0.6 4,-2.4 1,-0.2 5,-0.3 0.955 107.1 53.6 -56.3 -51.0 -32.1 -43.7 41.9 682 708 A Y H X S+ 0 0 5 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.911 112.3 46.6 -45.7 -48.2 -33.9 -44.0 38.5 683 709 A I H X S+ 0 0 33 -4,-2.5 4,-3.7 2,-0.2 5,-0.2 0.918 111.5 45.4 -66.1 -52.0 -30.9 -46.0 37.3 684 710 A R H <>S+ 0 0 111 -4,-2.6 5,-2.0 1,-0.2 6,-0.6 0.801 118.4 46.9 -64.4 -27.9 -30.3 -48.4 40.2 685 711 A R H ><5S+ 0 0 57 -4,-2.4 3,-0.7 -5,-0.3 -2,-0.2 0.885 114.8 46.8 -76.8 -39.7 -34.0 -49.0 40.1 686 712 A H H 3<5S+ 0 0 4 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.916 106.1 54.9 -69.0 -47.5 -34.0 -49.4 36.4 687 713 A H T 3<5S- 0 0 90 -4,-3.7 -1,-0.3 -5,-0.1 -3,-0.1 0.549 119.0-117.3 -60.7 -5.0 -31.0 -51.7 36.2 688 714 A G T < 5S+ 0 0 58 -3,-0.7 -3,-0.2 -5,-0.2 -2,-0.1 0.997 82.2 116.1 61.0 68.3 -33.2 -53.7 38.6 689 715 A Q < + 0 0 162 -5,-2.0 -4,-0.2 1,-0.3 -5,-0.1 0.288 65.8 52.7-139.6 3.3 -31.0 -53.7 41.7 690 716 A E S S- 0 0 65 -6,-0.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.984 83.4-115.1-144.0 127.1 -33.1 -51.7 44.2 691 717 A P - 0 0 106 0, 0.0 2,-0.7 0, 0.0 -2,-0.0 -0.174 18.7-131.6 -57.6 155.5 -36.7 -52.3 45.2 692 718 A V - 0 0 32 -7,-0.1 2,-0.3 2,-0.0 21,-0.1 -0.880 41.2-174.0-107.2 93.3 -39.4 -49.7 44.3 693 719 A S - 0 0 80 -2,-0.7 3,-0.1 1,-0.1 0, 0.0 -0.680 34.7-174.7-108.0 150.4 -41.1 -49.4 47.7 694 720 A Y > + 0 0 23 -2,-0.3 3,-1.6 1,-0.1 7,-0.2 -0.060 43.0 127.9-126.7 30.7 -44.1 -47.6 49.0 695 721 A A T 3 + 0 0 83 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.590 65.5 69.0 -66.6 -11.6 -43.9 -48.4 52.8 696 722 A E T 3 S+ 0 0 121 1,-0.3 -1,-0.3 -3,-0.1 78,-0.1 0.687 113.5 25.8 -80.9 -21.0 -44.2 -44.7 53.6 697 723 A F S X> S+ 0 0 11 -3,-1.6 4,-1.2 1,-0.1 3,-0.6 -0.472 70.6 166.2-138.9 66.2 -47.8 -44.6 52.4 698 724 A P T 34 S+ 0 0 74 0, 0.0 4,-0.5 0, 0.0 3,-0.4 0.844 81.7 44.6 -53.2 -41.3 -49.2 -48.1 52.9 699 725 A H T 34 S+ 0 0 89 1,-0.2 3,-0.3 2,-0.1 68,-0.1 0.806 113.5 50.8 -73.4 -29.5 -52.8 -47.1 52.5 700 726 A A T X> S+ 0 0 0 -3,-0.6 4,-2.2 1,-0.2 3,-1.8 0.572 86.9 86.2 -84.3 -10.5 -52.0 -44.8 49.5 701 727 A E H 3X S+ 0 0 70 -4,-1.2 4,-1.5 -3,-0.4 -1,-0.2 0.908 78.6 63.3 -55.4 -47.3 -50.1 -47.6 47.6 702 728 A K H 34 S+ 0 0 125 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 0.493 115.6 35.3 -60.0 0.5 -53.3 -49.0 46.0 703 729 A Y H <> S+ 0 0 45 -3,-1.8 4,-0.7 3,-0.0 -2,-0.2 0.647 118.0 48.3-118.3 -37.1 -53.4 -45.5 44.4 704 730 A L H >X S+ 0 0 3 -4,-2.2 4,-1.9 -7,-0.2 3,-1.1 0.980 94.0 69.1 -72.1 -59.8 -49.7 -44.7 43.8 705 731 A R H 3X S+ 0 0 97 -4,-1.5 4,-3.1 1,-0.3 5,-0.3 0.783 100.6 48.6 -30.7 -60.4 -48.3 -47.9 42.1 706 732 A P H 3> S+ 0 0 94 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.914 117.5 41.6 -50.0 -48.1 -50.2 -47.4 38.9 707 733 A I H << S+ 0 0 12 -3,-1.1 -2,-0.2 -4,-0.7 -3,-0.1 0.865 127.3 28.7 -66.9 -41.1 -49.2 -43.7 38.6 708 734 A L H ><>S+ 0 0 4 -4,-1.9 5,-2.5 1,-0.1 3,-1.4 0.536 98.4 79.9-105.0 -13.0 -45.5 -44.1 39.6 709 735 A D H ><5S+ 0 0 73 -4,-3.1 3,-1.8 -5,-0.4 -1,-0.1 0.920 88.2 60.1 -61.5 -42.4 -44.5 -47.6 38.6 710 736 A E T 3<5S+ 0 0 50 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.1 0.593 110.6 44.7 -60.3 -4.0 -44.0 -46.6 35.0 711 737 A T T X 5S- 0 0 0 -3,-1.4 3,-1.9 -45,-0.0 -1,-0.3 -0.027 118.4-106.6-133.6 32.4 -41.4 -44.2 36.5 712 738 A Y T < 5S- 0 0 33 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.582 82.7 -52.7 43.4 19.1 -39.6 -46.6 38.9 713 739 A G T 3 S-t 787 0L 0 -3,-0.3 4,-1.1 69,-0.3 71,-0.2 -0.633 72.7-138.5 -92.1 140.1 -44.2 -35.7 35.7 718 744 A Q H > S+ 0 0 27 69,-4.4 4,-2.6 -2,-0.3 3,-0.5 0.863 107.2 59.4 -57.3 -41.8 -46.7 -33.1 36.8 719 745 A E H > S+ 0 0 0 68,-0.5 4,-3.0 1,-0.3 -1,-0.2 0.921 99.3 57.8 -54.8 -43.3 -49.5 -35.2 35.4 720 746 A Q H > S+ 0 0 4 -3,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.872 109.2 46.9 -52.9 -40.1 -48.3 -37.9 37.8 721 747 A I H X S+ 0 0 2 -4,-1.1 4,-1.9 -3,-0.5 5,-0.3 0.991 109.6 50.0 -64.1 -62.8 -48.9 -35.3 40.6 722 748 A M H X S+ 0 0 0 -4,-2.6 4,-3.7 1,-0.3 5,-0.2 0.904 111.0 51.2 -42.3 -54.6 -52.4 -34.2 39.4 723 749 A Q H X S+ 0 0 53 -4,-3.0 4,-3.2 2,-0.2 5,-0.3 0.916 104.4 56.3 -50.8 -52.1 -53.4 -37.8 39.2 724 750 A I H X S+ 0 0 0 -4,-1.8 4,-3.7 1,-0.2 5,-0.5 0.925 115.7 37.8 -46.0 -55.9 -52.2 -38.6 42.8 725 751 A A H X>S+ 0 0 1 -4,-1.9 4,-1.7 1,-0.2 6,-1.2 0.934 114.0 55.6 -62.3 -49.3 -54.4 -35.8 44.1 726 752 A S H <5S+ 0 0 21 -4,-3.7 -1,-0.2 -5,-0.3 4,-0.2 0.858 121.3 30.4 -49.5 -38.4 -57.2 -36.6 41.7 727 753 A Q H <5S+ 0 0 68 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.929 126.4 37.2 -91.7 -52.0 -57.2 -40.2 43.0 728 754 A V H <5S+ 0 0 3 -4,-3.7 -3,-0.2 -5,-0.3 37,-0.2 0.927 126.7 35.9 -68.8 -46.3 -56.2 -40.0 46.6 729 755 A A T <5S- 0 0 8 -4,-1.7 -3,-0.2 -5,-0.5 -1,-0.2 0.782 106.1-117.5 -80.0 -30.1 -57.9 -36.8 47.5 730 756 A G < + 0 0 36 -5,-1.1 -4,-0.2 1,-0.3 -3,-0.1 0.581 57.8 161.3 96.0 13.7 -61.0 -37.2 45.4 731 757 A Y - 0 0 13 -6,-1.2 2,-0.4 -9,-0.1 -1,-0.3 -0.378 48.3-114.0 -61.4 140.1 -60.1 -34.2 43.4 732 758 A S > - 0 0 49 1,-0.1 4,-2.6 -3,-0.1 3,-0.4 -0.697 35.0-115.5 -68.5 129.5 -61.7 -33.7 40.0 733 759 A L H > S+ 0 0 35 -2,-0.4 4,-2.0 1,-0.3 -1,-0.1 0.837 119.2 55.8 -40.6 -42.8 -58.7 -34.0 37.7 734 760 A G H >> S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 3,-0.5 0.979 108.1 45.3 -48.2 -62.1 -59.4 -30.3 36.8 735 761 A E H 3> S+ 0 0 41 -3,-0.4 4,-1.9 1,-0.3 -2,-0.2 0.899 106.1 62.9 -51.8 -40.4 -59.2 -29.3 40.5 736 762 A A H >X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 3,-0.6 0.924 99.8 52.4 -51.8 -50.4 -56.1 -31.4 40.7 737 763 A D H X S+ 0 0 106 -4,-3.3 4,-1.5 -5,-0.2 3,-1.0 0.970 111.3 44.9 -58.4 -53.4 -50.8 -24.7 39.9 742 768 A A H 3<>S+ 0 0 9 -4,-3.9 5,-0.9 1,-0.3 4,-0.3 0.693 108.5 55.6 -70.6 -22.5 -51.3 -23.3 43.5 743 769 A M H 3<5S+ 0 0 6 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.684 105.2 55.4 -79.5 -20.4 -48.2 -25.2 44.9 744 770 A G H <<5S+ 0 0 47 -4,-1.0 -2,-0.2 -3,-1.0 -1,-0.2 0.882 105.5 50.6 -72.2 -41.9 -46.2 -23.5 42.1 745 771 A K T <5S- 0 0 153 -4,-1.5 3,-0.2 -5,-0.1 -2,-0.2 0.569 95.6-150.0 -73.1 -10.5 -47.4 -20.1 43.3 746 772 A K T 5 - 0 0 136 -4,-0.3 2,-2.1 1,-0.2 -3,-0.2 0.807 14.5-169.0 44.0 44.2 -46.3 -21.0 46.9 747 773 A R >>< - 0 0 159 -5,-0.9 3,-2.4 1,-0.2 4,-1.0 -0.415 20.3-136.1 -70.6 82.9 -49.0 -18.8 48.4 748 774 A V T 34 S+ 0 0 129 -2,-2.1 4,-0.3 1,-0.3 3,-0.2 0.458 88.8 11.6 -1.1 -74.1 -47.8 -19.0 52.0 749 775 A E T 34 S+ 0 0 149 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.436 111.4 75.9-106.4 -3.0 -51.1 -19.6 53.9 750 776 A E T X> S+ 0 0 46 -3,-2.4 4,-0.7 1,-0.2 3,-0.5 0.610 89.0 68.4 -77.1 -13.1 -53.5 -20.3 51.1 751 777 A M H >X S+ 0 0 22 -4,-1.0 4,-2.5 -3,-0.2 3,-1.0 0.900 86.8 61.1 -70.9 -44.4 -51.8 -23.7 51.1 752 778 A Q H 3> S+ 0 0 140 1,-0.3 4,-0.9 -4,-0.3 -1,-0.2 0.566 98.5 61.2 -62.9 -9.1 -53.2 -24.8 54.5 753 779 A K H <> S+ 0 0 147 -3,-0.5 4,-1.8 2,-0.2 -1,-0.3 0.843 107.8 41.5 -80.8 -39.8 -56.6 -24.5 52.9 754 780 A H H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 3,-1.5 0.999 112.4 36.6 -63.0 -75.9 -56.8 -32.9 50.8 759 785 A V H 3X S+ 0 0 17 -4,-2.2 4,-2.9 1,-0.3 5,-0.2 0.883 111.3 62.3 -43.7 -52.3 -56.9 -35.0 54.0 760 786 A R H 3X S+ 0 0 155 -4,-2.8 4,-0.9 1,-0.3 -1,-0.3 0.807 114.8 33.6 -48.2 -37.9 -60.7 -34.5 54.4 761 787 A G H S+ 0 0 92 -2,-0.5 4,-3.5 1,-0.2 5,-0.3 -0.177 113.0 80.1 73.5 -45.3 -54.1 -38.5 57.7 770 796 A E H > S+ 0 0 123 -2,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.916 107.7 34.0 -55.4 -42.6 -50.7 -39.3 59.2 771 797 A E H > S+ 0 0 15 2,-0.2 4,-2.6 3,-0.1 5,-0.2 0.923 116.8 57.7 -71.5 -48.5 -49.9 -40.7 55.7 772 798 A A H > S+ 0 0 0 2,-0.2 4,-3.3 1,-0.2 3,-0.4 0.933 106.3 46.3 -48.8 -61.5 -52.1 -38.0 54.1 773 799 A N H X S+ 0 0 52 -4,-3.5 4,-3.3 1,-0.3 -1,-0.2 0.907 117.6 41.5 -48.0 -57.4 -50.1 -35.0 55.6 774 800 A R H X S+ 0 0 94 -4,-1.1 4,-2.1 -5,-0.3 -1,-0.3 0.782 114.4 54.9 -63.3 -28.8 -46.7 -36.4 54.8 775 801 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 -3,-0.4 -2,-0.2 0.907 109.4 45.3 -69.8 -45.1 -48.1 -37.5 51.4 776 802 A F H X S+ 0 0 1 -4,-3.3 4,-2.8 2,-0.2 5,-0.3 0.912 111.4 53.6 -62.5 -43.5 -49.3 -33.9 50.7 777 803 A D H X S+ 0 0 66 -4,-3.3 4,-1.3 -5,-0.3 -2,-0.3 0.913 106.5 52.7 -50.5 -44.5 -45.8 -33.0 52.0 778 804 A M H X S+ 0 0 32 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.877 110.2 48.7 -63.4 -36.2 -44.5 -35.4 49.3 779 805 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 3,-0.4 0.988 111.0 45.7 -67.4 -57.4 -46.6 -33.6 46.7 780 806 A E H < S+ 0 0 73 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.713 113.8 55.0 -59.6 -17.0 -45.5 -30.1 47.5 781 807 A A H < S+ 0 0 61 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.904 117.5 30.4 -79.4 -44.9 -42.0 -31.5 47.7 782 808 A F H >X S+ 0 0 46 -4,-1.9 4,-2.5 -3,-0.4 3,-1.1 0.717 106.3 73.7 -86.1 -25.1 -41.9 -33.0 44.2 783 809 A A T 3< S+ 0 0 12 -4,-2.9 -1,-0.2 1,-0.3 -3,-0.1 0.717 86.3 62.5 -67.3 -26.0 -44.3 -30.5 42.5 784 810 A N T 34 S+ 0 0 68 -4,-0.4 -1,-0.3 -5,-0.2 -2,-0.1 0.727 119.6 24.5 -71.1 -23.2 -41.8 -27.6 42.3 785 811 A Y T <4 S+ 0 0 147 -3,-1.1 -2,-0.2 -4,-0.2 -1,-0.2 0.676 94.2 115.2-113.2 -30.3 -39.5 -29.6 40.0 786 812 A G < - 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0 0 38 -2,-0.5 -2,-0.1 -3,-0.2 -1,-0.1 0.299 55.5 -14.8 -63.5-169.0 -25.8 -41.6 -20.7 888 914 A P S S- 0 0 93 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.142 77.1-102.2 -25.7 132.0 -22.6 -41.6 -18.7 889 915 A F - 0 0 6 1,-0.1 3,-0.1 -42,-0.1 6,-0.1 -0.452 32.9-171.0 -66.6 133.8 -19.8 -39.3 -19.8 890 916 A K - 0 0 174 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.726 62.8 -6.5-102.6 -28.8 -17.0 -41.1 -21.7 891 917 A S S > S- 0 0 19 1,-0.1 4,-1.0 0, 0.0 -1,-0.3 -0.969 70.2-101.9-158.5 163.3 -14.3 -38.5 -22.0 892 918 A L H > S+ 0 0 4 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.791 125.9 54.4 -59.2 -28.9 -13.7 -34.8 -21.4 893 919 A G H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 3,-0.5 0.998 104.3 50.7 -60.0 -68.3 -14.2 -34.4 -25.1 894 920 A D H 4 S+ 0 0 24 1,-0.3 4,-0.4 2,-0.2 -2,-0.2 0.625 112.7 52.8 -43.9 -19.3 -17.6 -36.2 -25.0 895 921 A F H >X S+ 0 0 0 -4,-1.0 4,-2.5 2,-0.1 3,-0.7 0.932 106.8 46.7 -81.5 -56.0 -18.3 -33.7 -22.2 896 922 A L H 3< S+ 0 0 1 -4,-2.3 -2,-0.2 -3,-0.5 -3,-0.1 0.657 112.7 48.9 -69.6 -19.0 -17.4 -30.5 -24.0 897 923 A K T 3< S+ 0 0 55 -4,-1.7 -1,-0.3 1,-0.1 -3,-0.1 0.698 116.1 43.3 -88.0 -24.3 -19.4 -31.3 -27.2 898 924 A R T <4 S+ 0 0 46 -3,-0.7 -2,-0.2 -5,-0.4 -3,-0.1 0.740 123.2 39.1 -89.1 -29.6 -22.5 -32.3 -25.1 899 925 A L S < S- 0 0 6 -4,-2.5 -1,-0.3 5,-0.0 -20,-0.0 -0.890 86.5-159.8-122.0 95.3 -22.1 -29.3 -22.8 900 926 A P >> - 0 0 28 0, 0.0 4,-2.0 0, 0.0 3,-1.5 -0.162 36.0-102.4 -68.3 169.6 -21.0 -26.3 -24.9 901 927 A E T 34 S+ 0 0 112 1,-0.3 8,-0.1 2,-0.2 -4,-0.0 0.808 118.4 75.7 -59.5 -30.7 -19.3 -23.3 -23.3 902 928 A Q T 34 S+ 0 0 181 1,-0.2 -1,-0.3 3,-0.1 3,-0.2 0.789 110.2 24.8 -43.8 -35.1 -22.8 -21.7 -23.7 903 929 A V T <4 S+ 0 0 56 -3,-1.5 2,-0.6 1,-0.3 -2,-0.2 0.831 131.4 33.5-105.9 -49.7 -23.9 -23.7 -20.7 904 930 A V S < S- 0 0 0 -4,-2.0 -1,-0.3 -8,-0.1 -2,-0.1 -0.927 83.3-150.0-112.5 100.8 -20.8 -24.5 -18.6 905 931 A N > - 0 0 72 -2,-0.6 4,-2.6 -3,-0.2 5,-0.2 -0.140 29.8-101.3 -64.3 164.8 -18.4 -21.6 -19.0 906 932 A K H > S+ 0 0 88 2,-0.2 4,-3.0 1,-0.2 5,-0.1 0.948 124.7 53.3 -53.2 -51.7 -14.6 -22.1 -18.8 907 933 A R H > S+ 0 0 150 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.922 108.8 50.5 -46.7 -51.7 -14.5 -20.9 -15.1 908 934 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.953 110.6 49.0 -51.5 -53.9 -17.2 -23.4 -14.3 909 935 A L H X S+ 0 0 1 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.909 107.7 55.6 -52.6 -47.3 -15.1 -26.1 -16.0 910 936 A E H >X S+ 0 0 55 -4,-3.0 4,-3.0 1,-0.2 3,-0.7 0.940 112.1 40.4 -53.5 -56.0 -12.0 -25.1 -14.0 911 937 A S H 3X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.914 108.7 61.4 -60.9 -43.0 -13.7 -25.5 -10.7 912 938 A L H 3X>S+ 0 0 0 -4,-2.6 5,-1.7 -5,-0.3 6,-0.9 0.792 113.0 37.6 -56.9 -32.3 -15.5 -28.6 -11.7 913 939 A V H X<5S+ 0 0 1 -4,-1.7 3,-1.1 -3,-0.7 -1,-0.2 0.892 112.1 57.5 -79.9 -48.9 -12.0 -30.2 -12.3 914 940 A K H 3<5S+ 0 0 23 -4,-3.0 -2,-0.2 1,-0.3 65,-0.2 0.789 106.6 52.9 -48.5 -31.6 -10.5 -28.5 -9.3 915 941 A A H 3<5S- 0 0 0 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.798 115.9-116.3 -75.2 -33.5 -13.3 -30.2 -7.3 916 942 A G T X<5S+ 0 0 1 -3,-1.1 3,-0.6 -4,-0.5 4,-0.2 0.574 80.0 123.5 100.9 16.4 -12.5 -33.7 -8.6 917 943 A A G > S+ 0 0 0 -6,-0.9 3,-1.6 1,-0.2 4,-0.3 0.226 81.2 108.1 -97.0 13.2 -13.8 -34.8 -13.6 919 945 A D G X + 0 0 53 -3,-0.6 3,-1.6 1,-0.3 -1,-0.2 0.836 60.5 80.1 -53.9 -33.3 -11.3 -36.9 -11.7 920 946 A A G < S+ 0 0 57 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.462 90.2 54.8 -53.7 -2.0 -12.9 -39.9 -13.6 921 947 A F G < S- 0 0 46 -3,-1.6 2,-0.3 1,-0.2 -1,-0.3 0.610 111.8 -93.5-114.1 -18.3 -10.8 -38.9 -16.6 922 948 A G S < S+ 0 0 43 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.2 -0.999 77.9 14.1 146.4-142.8 -7.2 -38.8 -15.4 923 949 A D > - 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