==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 23-NOV-09 3KSO . COMPND 2 MOLECULE: CATION EFFLUX SYSTEM PROTEIN CUSA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.-C.SU . 1014 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 709 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 10.4 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 0.2 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 . 75 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 374 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.6 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 7 5 0 1 1 4 2 2 4 1 1 1 2 0 0 2 0 0 0 0 1 1 0 0 1 1 1 RESIDUES PER ALPHA HELIX . 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 10 5 3 6 0 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 . 5 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 5 A I 0 0 168 0, 0.0 4,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -85.2 3.1 10.8 35.6 2 6 A I + 0 0 55 2,-0.1 4,-0.1 1,-0.1 434,-0.0 0.327 360.0 60.4-104.8 0.4 1.3 14.1 34.9 3 7 A R S > S+ 0 0 223 2,-0.1 3,-1.0 3,-0.1 4,-0.2 0.888 101.5 44.2 -92.6 -49.4 -0.8 12.0 32.4 4 8 A R G >> S+ 0 0 150 1,-0.3 4,-2.2 2,-0.2 3,-0.7 0.770 108.3 60.9 -69.3 -24.3 -2.4 9.4 34.7 5 9 A S G 34 S+ 0 0 45 -4,-0.5 -1,-0.3 1,-0.2 7,-0.2 0.719 106.5 46.8 -73.3 -20.9 -3.2 12.1 37.2 6 10 A V G <4 S+ 0 0 59 -3,-1.0 -1,-0.2 2,-0.2 4,-0.2 0.341 108.3 55.2-100.1 2.3 -5.3 13.8 34.5 7 11 A A T <4 S+ 0 0 63 -3,-0.7 3,-0.4 -4,-0.2 4,-0.2 0.742 105.3 49.6 -98.1 -37.7 -7.0 10.5 33.6 8 12 A N S >X S+ 0 0 69 -4,-2.2 3,-2.9 1,-0.2 4,-0.6 0.735 91.0 118.4 -60.5 -22.9 -8.1 10.0 37.2 9 13 A R H >> + 0 0 104 1,-0.3 3,-1.8 2,-0.2 4,-0.7 0.659 65.1 44.9 -8.3 -80.1 -9.1 13.6 36.2 10 14 A F H >> S+ 0 0 144 -3,-0.4 4,-0.6 1,-0.3 3,-0.6 0.841 108.7 62.7 -54.4 -27.0 -12.8 13.4 36.6 11 15 A L H <> S+ 0 0 71 -3,-2.9 4,-3.2 1,-0.2 3,-0.3 0.748 87.9 68.7 -61.2 -36.0 -12.3 11.5 39.9 12 16 A V H X S+ 0 0 37 -4,-4.5 4,-1.2 2,-0.2 3,-0.9 0.923 109.8 48.4 -72.3 -47.3 -12.0 16.9 46.4 17 21 A L H 3X S+ 0 0 91 -4,-3.1 4,-1.7 1,-0.3 5,-0.4 0.872 103.8 62.0 -62.0 -36.9 -15.5 17.1 47.7 18 22 A F H 3X S+ 0 0 128 -4,-2.6 4,-1.3 1,-0.3 -1,-0.3 0.869 107.8 46.9 -54.6 -31.4 -14.8 14.1 49.8 19 23 A L H X S+ 0 0 124 -4,-1.3 4,-1.4 -5,-0.4 3,-1.2 0.911 110.5 52.4 -62.9 -47.0 -14.7 15.9 55.7 23 27 A G H 3X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.822 102.8 57.8 -62.3 -33.4 -12.4 18.8 56.3 24 28 A T H 3X S+ 0 0 88 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.610 105.6 51.4 -77.5 -11.0 -15.2 21.0 57.8 25 29 A W H <4 S+ 0 0 130 -3,-1.2 -2,-0.2 -4,-0.5 -1,-0.2 0.929 115.4 34.8 -87.6 -56.0 -16.0 18.4 60.5 26 30 A T H >X S+ 0 0 18 -4,-1.4 4,-1.0 1,-0.2 3,-0.7 0.762 111.7 66.0 -72.1 -26.0 -12.5 17.8 62.1 27 31 A I H >< S+ 0 0 54 -4,-1.5 3,-1.1 -5,-0.3 -1,-0.2 0.971 103.2 41.7 -59.4 -57.9 -11.4 21.4 61.5 28 32 A I T 3< S+ 0 0 127 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.480 115.2 60.0 -70.3 2.1 -13.9 23.0 63.9 29 33 A N T <4 S+ 0 0 75 -3,-0.7 -1,-0.2 -4,-0.1 -2,-0.2 0.661 76.3 114.7-105.8 -20.1 -13.0 20.1 66.2 30 34 A T S << S- 0 0 30 -3,-1.1 2,-0.1 -4,-1.0 -3,-0.0 0.071 71.6-104.1 -49.3 165.4 -9.2 20.4 66.8 31 35 A P - 0 0 52 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.478 44.3-169.4 -78.0 156.7 -7.5 21.1 70.1 32 36 A V + 0 0 29 -2,-0.1 262,-0.2 -3,-0.1 353,-0.1 -0.365 29.6 104.7-167.0 85.2 -6.3 24.7 70.0 33 37 A D - 0 0 23 -2,-0.1 2,-0.3 260,-0.1 353,-0.0 0.081 51.7-120.7-114.5-135.9 -4.0 26.6 72.4 34 38 A A S S+ 0 0 8 351,-0.3 351,-0.1 1,-0.3 350,-0.1 -0.883 73.0 68.1-164.4 174.8 -0.5 27.7 72.0 35 39 A L S S- 0 0 30 -2,-0.3 -1,-0.3 428,-0.1 3,-0.1 0.953 84.2-113.5 69.9 92.1 2.6 27.0 74.1 36 40 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 3,-0.2 -0.198 26.2-111.3 -65.8 140.5 3.4 23.3 73.5 37 41 A D S S+ 0 0 47 1,-0.1 2,-0.1 2,-0.1 -2,-0.1 -0.541 75.1 98.2 -68.7 127.6 3.1 20.9 76.4 38 42 A L + 0 0 13 -2,-0.3 4,-0.2 -3,-0.1 -1,-0.1 -0.296 21.8 163.1-162.4 -90.6 6.5 19.7 77.5 39 43 A S S S- 0 0 3 -3,-0.2 614,-0.1 420,-0.1 -2,-0.1 0.856 92.8 -87.2 48.9 30.4 8.6 21.0 80.3 40 44 A D S S- 0 0 40 419,-0.1 2,-0.6 418,-0.1 54,-0.1 -0.260 71.9 -40.9 59.1-152.8 9.7 17.5 79.1 41 45 A V S S+ 0 0 14 52,-0.1 52,-0.7 2,-0.0 2,-0.3 -0.943 75.0 164.3-108.8 122.0 8.1 14.3 80.5 42 46 A Q E -A 92 0A 25 -2,-0.6 2,-0.4 50,-0.2 50,-0.2 -0.966 34.2-158.6-141.8 152.3 7.5 14.4 84.2 43 47 A V E -A 91 0A 6 48,-2.1 48,-1.6 -2,-0.3 2,-0.2 -0.932 20.7-150.3-131.6 111.1 5.8 12.8 87.1 44 48 A I E -A 90 0A 2 -2,-0.4 82,-1.0 46,-0.2 2,-0.3 -0.534 9.8-169.7 -78.3 142.9 5.3 14.9 90.2 45 49 A I E -A 89 0A 1 44,-0.8 44,-0.6 80,-0.3 80,-0.2 -0.748 10.3-171.3-138.9 87.9 5.3 13.0 93.6 46 50 A K - 0 0 13 -2,-0.3 78,-1.1 78,-0.2 2,-0.3 -0.398 13.8-163.0 -83.2 153.9 4.2 15.2 96.5 47 51 A T B -D 123 0B 0 76,-0.2 40,-0.9 -2,-0.1 2,-0.3 -0.807 10.0-153.2-135.6 98.4 4.3 14.4 100.2 48 52 A S B +E 86 0C 54 74,-0.5 38,-0.2 -2,-0.3 3,-0.1 -0.546 18.6 176.3 -59.2 123.3 2.2 16.7 102.4 49 53 A Y - 0 0 21 36,-2.5 -1,-0.1 1,-0.4 36,-0.1 -0.552 25.9-141.9-132.4 72.1 3.9 16.5 105.7 50 54 A P S S- 0 0 93 0, 0.0 2,-0.4 0, 0.0 -1,-0.4 0.361 74.0 -6.4 -1.2-102.7 2.0 19.0 107.9 51 55 A G S S+ 0 0 44 -3,-0.1 2,-0.2 2,-0.0 680,-0.0 -0.908 87.2 107.8-112.0 135.7 4.8 20.5 109.9 52 56 A Q - 0 0 51 -2,-0.4 32,-0.1 34,-0.0 3,-0.0 -0.578 55.6 -87.9-159.3-133.3 8.5 19.5 110.0 53 57 A A >>> - 0 0 29 30,-0.2 4,-4.9 -2,-0.2 3,-0.7 -0.855 24.8-118.1-169.9 132.6 11.9 20.7 108.8 54 58 A P T 345S+ 0 0 3 0, 0.0 4,-0.2 0, 0.0 735,-0.1 0.603 116.8 49.8 -52.9 -27.3 14.1 20.4 105.5 55 59 A Q T 3>5S+ 0 0 130 733,-0.2 4,-1.4 3,-0.1 734,-0.0 0.945 129.9 26.4 -65.7 -47.8 17.0 18.5 107.2 56 60 A I H <>5S+ 0 0 48 -3,-0.7 4,-1.8 2,-0.3 5,-0.5 0.789 113.3 60.2 -88.8 -33.0 14.2 16.3 108.6 57 61 A V H <>S+ 0 0 0 -4,-4.9 5,-1.6 1,-0.2 4,-0.2 0.750 114.0 47.9 -62.2 -17.6 11.4 16.6 106.0 58 62 A E H 4XS+ 0 0 8 -5,-0.6 5,-1.9 3,-0.2 -2,-0.3 0.905 112.3 45.9 -83.4 -45.2 14.2 15.2 103.9 59 63 A N H <5S+ 0 0 95 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.913 120.2 27.4 -69.1 -53.3 15.3 12.4 106.3 60 64 A Q T <5S+ 0 0 83 -4,-1.8 -1,-0.2 3,-0.1 -3,-0.1 0.540 135.7 20.0 -97.2 -7.3 12.2 10.6 107.4 61 65 A V T 5S+ 0 0 0 -5,-0.5 4,-0.2 -4,-0.2 -3,-0.2 0.662 124.6 40.0-125.1 -53.7 9.9 11.2 104.4 62 66 A T T >> S+ 0 0 3 -3,-2.3 4,-1.2 -4,-0.2 -2,-0.2 0.691 114.6 43.8-109.4 -42.0 10.9 8.4 97.9 66 70 A T H < S+ 0 0 2 -4,-3.1 4,-0.2 2,-0.1 -3,-0.2 0.953 122.5 43.1 -59.5 -46.6 14.2 9.7 96.5 67 71 A T T >< S+ 0 0 64 -4,-1.3 3,-1.3 -5,-0.4 4,-0.5 0.892 109.8 48.9 -75.5 -47.4 15.7 6.4 97.3 68 72 A T G >4 S+ 0 0 17 1,-0.2 3,-1.8 -5,-0.2 -1,-0.2 0.915 104.9 63.2 -57.2 -40.9 13.2 3.8 96.2 69 73 A M G >< S+ 0 0 4 -4,-1.2 3,-0.8 1,-0.3 -1,-0.2 0.473 83.5 73.4 -72.3 -4.4 12.8 5.5 92.8 70 74 A L G < S+ 0 0 68 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.894 95.2 57.9 -65.2 -34.7 16.4 4.9 91.8 71 75 A S G < S+ 0 0 79 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.2 0.160 86.7 93.2 -89.4 16.6 15.2 1.3 91.3 72 76 A V S < S- 0 0 5 -3,-0.8 34,-0.1 1,-0.1 33,-0.0 -0.889 81.9-100.2-110.4 140.6 12.4 1.8 88.8 73 77 A P S S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.010 108.7 54.1 -42.9 163.4 12.6 1.6 85.0 74 78 A G S S- 0 0 32 1,-0.1 2,-3.0 2,-0.1 3,-0.3 0.865 77.5-178.7 64.9 38.4 12.8 4.9 83.2 75 79 A A + 0 0 73 1,-0.2 -1,-0.1 -4,-0.1 3,-0.1 0.015 30.8 130.2 -68.6 37.4 15.7 5.3 85.6 76 80 A K S S- 0 0 117 -2,-3.0 2,-0.3 1,-0.2 -1,-0.2 0.973 72.3 -28.3 -60.2 -80.5 16.4 8.8 84.3 77 81 A T E -B 92 0A 14 15,-0.8 15,-0.7 -3,-0.3 2,-0.6 -0.999 36.4-156.2-140.5 146.2 16.7 11.1 87.3 78 82 A V E +B 91 0A 2 -2,-0.3 717,-1.6 13,-0.1 718,-0.6 -0.706 34.9 177.5-111.2 75.5 15.2 11.1 90.8 79 83 A R E -BC 90 794A 14 11,-1.4 11,-1.8 -2,-0.6 2,-0.5 -0.735 11.5-150.2-101.5 122.3 15.6 14.8 91.3 80 84 A G E -B 89 0A 2 713,-2.7 2,-0.9 -2,-0.5 9,-0.2 -0.791 31.6-175.6-115.6 120.9 14.4 16.3 94.5 81 85 A F E +B 88 0A 46 7,-1.3 7,-1.8 -2,-0.5 2,-0.6 -0.898 28.3 173.3 -88.5 102.0 13.0 19.6 95.9 82 86 A S E +B 87 0A 0 709,-2.1 5,-0.2 -2,-0.9 -24,-0.1 -0.863 13.0 151.9-117.1 98.8 12.8 18.5 99.5 83 87 A Q - 0 0 11 3,-0.6 2,-0.6 -2,-0.6 -30,-0.2 0.021 49.1 -50.0-107.0-154.1 11.8 21.5 101.6 84 88 A F S S- 0 0 121 705,-0.4 -1,-0.1 1,-0.2 3,-0.1 -0.780 118.7 -5.5 -90.8 120.2 10.0 22.3 104.9 85 89 A G S S+ 0 0 3 -2,-0.6 -36,-2.5 1,-0.1 2,-0.3 0.246 128.8 62.0 83.8 -15.1 6.6 20.7 105.4 86 90 A D B -E 48 0C 23 -38,-0.2 -3,-0.6 510,-0.1 2,-0.3 -0.958 59.4-157.9-135.6 155.4 6.6 19.2 101.9 87 91 A S E - B 0 82A 0 -40,-0.9 2,-0.4 -2,-0.3 -5,-0.2 -0.782 16.2-175.2-133.8 99.0 8.7 16.8 99.9 88 92 A Y E + B 0 81A 0 -7,-1.8 -7,-1.3 -2,-0.3 2,-0.4 -0.741 3.1 179.1 -90.4 133.7 8.4 17.2 96.1 89 93 A V E -AB 45 80A 1 -44,-0.6 -44,-0.8 -2,-0.4 2,-0.5 -0.959 7.7-165.1-137.8 119.5 10.2 14.7 93.9 90 94 A Y E -AB 44 79A 1 -11,-1.8 -11,-1.4 -2,-0.4 2,-0.5 -0.894 2.0-165.9-108.0 127.0 10.0 14.9 90.1 91 95 A V E +AB 43 78A 5 -48,-1.6 -48,-2.1 -2,-0.5 2,-0.4 -0.955 12.4 177.9-106.7 132.8 11.1 12.0 87.9 92 96 A I E -AB 42 77A 8 -15,-0.7 -15,-0.8 -2,-0.5 -50,-0.2 -0.991 6.4-179.7-133.3 140.6 11.6 12.8 84.2 93 97 A F - 0 0 17 -52,-0.7 2,-0.3 -2,-0.4 -1,-0.1 0.466 50.4 -39.5-104.8-115.1 12.7 10.5 81.4 94 98 A E - 0 0 136 1,-0.2 -1,-0.3 -54,-0.1 3,-0.1 -0.851 69.8 -85.7-117.2 156.5 13.2 11.4 77.8 95 99 A D S S+ 0 0 43 -2,-0.3 -1,-0.2 1,-0.2 -57,-0.0 -0.011 101.8 21.7 -57.7 163.6 11.0 13.6 75.6 96 100 A G S S+ 0 0 75 1,-0.1 2,-0.4 366,-0.0 -1,-0.2 0.883 77.3 150.0 41.2 69.2 7.9 12.3 73.9 97 101 A T - 0 0 45 -3,-0.1 -1,-0.1 4,-0.0 4,-0.1 -0.971 59.7-103.5-132.0 124.0 7.1 9.1 75.8 98 102 A D >> - 0 0 112 -2,-0.4 3,-2.2 1,-0.2 4,-1.4 -0.113 39.6-160.2 -39.7 91.6 3.5 7.7 76.2 99 103 A P H 3> S+ 0 0 67 0, 0.0 4,-5.6 0, 0.0 -1,-0.2 0.778 81.8 68.8 -58.5 -38.8 3.1 8.9 79.8 100 104 A Y H 34 S+ 0 0 128 2,-0.2 4,-0.5 1,-0.2 -2,-0.1 0.578 110.0 42.3 -67.8 -3.8 0.3 6.6 80.9 101 105 A W H <> S+ 0 0 133 -3,-2.2 4,-2.0 2,-0.1 -1,-0.2 0.766 113.5 50.0 -77.6 -70.6 3.1 4.2 80.6 102 106 A A H X S+ 0 0 2 -4,-1.4 4,-1.4 1,-0.2 -2,-0.2 0.727 111.8 52.4 -42.5 -35.6 5.5 6.6 82.2 103 107 A R H >X S+ 0 0 56 -4,-5.6 4,-1.5 2,-0.2 3,-0.8 0.968 111.0 40.2 -56.1 -86.6 2.9 7.0 85.0 104 108 A S H 3> S+ 0 0 53 -4,-0.5 4,-1.4 1,-0.3 -2,-0.2 0.752 110.4 59.7 -39.2 -45.5 2.3 3.4 85.9 105 109 A R H >< S+ 0 0 71 -4,-2.0 3,-1.3 1,-0.2 4,-0.4 0.958 107.0 46.0 -50.9 -59.6 5.9 2.4 85.7 106 110 A V H XX S+ 0 0 2 -4,-1.4 3,-2.0 -3,-0.8 4,-0.6 0.934 104.7 65.6 -40.1 -55.3 6.9 5.0 88.3 107 111 A L H >X S+ 0 0 73 -4,-1.5 4,-1.8 1,-0.3 3,-1.4 0.758 81.0 78.3 -44.3 -39.2 4.0 3.7 90.4 108 112 A E H S+ 0 0 48 -3,-2.0 4,-0.6 -4,-0.4 -1,-0.3 0.539 107.3 66.8-103.1 -5.5 7.9 1.6 93.5 110 114 A L H X< S+ 0 0 20 -3,-1.4 3,-0.6 -4,-0.6 -2,-0.2 0.905 99.7 51.3 -75.2 -43.4 5.7 4.2 95.1 111 115 A N H 3< S+ 0 0 100 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.979 102.1 60.4 -54.5 -58.4 3.2 1.6 96.5 112 116 A Q H 3< S+ 0 0 117 -4,-0.8 2,-0.8 1,-0.2 3,-0.3 0.735 100.7 62.4 -39.0 -37.8 6.0 -0.5 98.1 113 117 A V << + 0 0 1 -3,-0.6 -1,-0.2 -4,-0.6 -45,-0.0 -0.828 56.0 102.2-107.1 99.6 7.0 2.4 100.3 114 118 A Q S S+ 0 0 70 -2,-0.8 -1,-0.2 3,-0.1 -2,-0.1 0.094 83.0 60.5-143.8 4.5 4.4 3.7 102.7 115 119 A G S S+ 0 0 72 -3,-0.3 -2,-0.1 -51,-0.1 -3,-0.1 0.626 96.7 57.2-102.9 -23.4 6.1 2.0 105.6 116 120 A K S S+ 0 0 139 -52,-0.1 -51,-0.1 -55,-0.1 -1,-0.1 0.463 104.6 62.8 -88.9 -4.3 9.4 3.8 105.3 117 121 A L S S- 0 0 10 1,-0.2 -56,-0.2 -53,-0.1 3,-0.1 -0.733 94.1-103.8-112.0 173.0 7.6 7.1 105.7 118 122 A P - 0 0 42 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.653 51.2 -48.5 -81.3-134.1 5.7 8.0 108.8 119 123 A A S S- 0 0 83 3,-0.0 -4,-0.0 2,-0.0 0, 0.0 -0.758 107.0 -18.8 -99.8 151.2 2.0 8.1 109.9 120 124 A G S S+ 0 0 56 -2,-0.3 3,-0.1 1,-0.2 -3,-0.0 -0.224 93.4 109.1 42.2-140.4 -0.5 9.9 107.7 121 125 A V - 0 0 21 1,-0.1 -1,-0.2 -4,-0.0 2,-0.0 0.861 57.8-175.1 49.0 37.2 1.6 12.1 105.4 122 126 A S - 0 0 80 1,-0.1 2,-0.7 -75,-0.1 -74,-0.5 -0.344 28.1-102.6 -69.1 148.6 0.7 9.7 102.6 123 127 A A B -D 47 0B 14 -76,-0.2 -76,-0.2 -13,-0.1 2,-0.1 -0.631 28.2-147.3 -88.1 114.1 2.4 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2,-0.1 -2,-0.2 0.549 110.4 45.3-114.8 -25.3 -3.8 30.4 25.9 415 419 A E H << S+ 0 0 130 -4,-1.5 3,-0.5 -3,-0.7 -2,-0.2 0.717 107.4 57.7 -88.0 -24.5 -2.7 33.5 24.1 416 420 A E S >< S+ 0 0 78 -4,-1.7 3,-0.6 1,-0.2 4,-0.4 0.796 108.7 46.4 -75.2 -28.3 -0.8 31.6 21.4 417 421 A W T 3 S+ 0 0 126 1,-0.2 -1,-0.2 -5,-0.2 -2,-0.2 0.356 104.8 61.8 -93.2 4.0 -3.9 29.7 20.4 418 422 A Q T 3 S+ 0 0 140 -3,-0.5 -1,-0.2 1,-0.1 -2,-0.2 0.231 100.5 54.7-105.8 6.6 -5.9 33.0 20.5 419 423 A H < 0 0 144 -3,-0.6 -2,-0.2 1,-0.0 -3,-0.1 0.570 360.0 360.0-106.5 -23.7 -3.6 34.2 17.7 420 424 A Q 0 0 176 -4,-0.4 -3,-0.1 0, 0.0 -4,-0.0 -0.025 360.0 360.0 -43.2 360.0 -4.4 31.2 15.5 421 ! 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 0.0 422 433 A K >> 0 0 164 0, 0.0 3,-0.8 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0-176.6 -13.2 20.5 23.8 423 434 A T H 3> + 0 0 85 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.584 360.0 75.0 -86.0 -11.0 -9.7 20.7 22.5 424 435 A R H 3> S+ 0 0 159 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.807 102.8 49.4 -61.1 -25.8 -8.8 24.3 23.6 425 436 A W H X> S+ 0 0 99 -3,-0.8 4,-1.6 2,-0.2 3,-0.5 0.896 104.0 53.5 -83.2 -42.5 -8.6 22.4 26.9 426 437 A Q H 3X S+ 0 0 143 -4,-0.8 4,-0.9 1,-0.2 -1,-0.2 0.783 108.9 52.0 -64.4 -26.7 -6.3 19.5 25.9 427 438 A V H 3X S+ 0 0 31 -4,-1.4 4,-0.9 2,-0.2 -1,-0.2 0.745 105.6 54.5 -81.1 -23.6 -3.8 22.0 24.5 428 439 A I H X S+ 0 0 71 -4,-0.9 3,-1.7 1,-0.2 4,-1.0 0.850 97.6 60.3 -65.7 -34.4 0.0 20.2 27.5 431 442 A A H >X S+ 0 0 0 -4,-0.9 4,-1.2 1,-0.3 3,-0.8 0.920 99.0 56.1 -56.8 -46.3 1.5 23.6 28.2 432 443 A S H 3< S+ 0 0 18 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.198 101.7 62.7 -74.4 18.2 1.8 22.7 31.8 433 444 A V H <4 S+ 0 0 77 -3,-1.7 -1,-0.2 3,-0.2 -2,-0.2 0.690 95.8 51.9-111.3 -35.1 3.8 19.7 30.6 434 445 A E H << S+ 0 0 84 -4,-1.0 -2,-0.2 -3,-0.8 -3,-0.1 0.912 133.7 16.5 -65.6 -41.4 6.8 21.4 29.0 435 446 A V S >< S+ 0 0 14 -4,-1.2 3,-1.6 2,-0.1 -3,-0.2 0.821 101.3 113.4 -97.1 -41.4 7.3 23.4 32.2 436 447 A G G > + 0 0 13 -5,-0.4 3,-1.6 1,-0.2 -3,-0.2 0.418 64.6 46.3 10.1-114.7 5.2 21.3 34.6 437 448 A P G 3>>S+ 0 0 39 0, 0.0 4,-2.1 0, 0.0 5,-0.8 0.511 90.2 83.7 -27.8 -32.2 7.2 19.5 37.4 438 449 A A G <45S+ 0 0 10 -3,-1.6 -2,-0.1 3,-0.2 483,-0.1 0.609 101.5 39.6 -53.6 -10.8 9.2 22.7 38.2 439 450 A L T <>5S+ 0 0 12 -3,-1.6 4,-2.1 -4,-0.1 -1,-0.2 0.825 121.8 37.0 -98.4 -64.5 6.1 23.5 40.3 440 451 A F H >5S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 3,-0.5 0.977 124.4 42.8 -47.1 -65.5 5.2 20.2 41.8 441 452 A I H X5S+ 0 0 24 -4,-2.1 4,-2.5 1,-0.2 3,-0.3 0.941 110.1 55.2 -47.5 -61.4 8.8 19.1 42.3 442 453 A S H >X S+ 0 0 62 -4,-1.8 4,-1.9 -3,-0.3 3,-0.6 0.919 110.2 53.9 -47.3 -49.6 8.7 18.9 47.4 445 456 A I H 3X S+ 0 0 27 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.938 107.0 48.9 -53.3 -52.8 12.2 20.3 47.4 446 457 A I H 3< S+ 0 0 18 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.739 110.7 53.5 -61.3 -25.0 11.3 23.2 49.7 447 458 A T H XX S+ 0 0 9 -4,-1.4 4,-1.3 -3,-0.6 3,-1.2 0.940 110.9 38.7 -81.5 -49.9 9.6 20.9 52.2 448 459 A L H 3< S+ 0 0 90 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.784 110.5 62.6 -71.9 -25.5 12.2 18.3 52.9 449 460 A S T 3< S+ 0 0 20 -4,-1.7 -1,-0.3 -5,-0.4 -2,-0.2 0.622 108.0 46.6 -65.3 -12.2 14.7 21.1 52.8 450 461 A F T X4 S+ 0 0 7 -3,-1.2 3,-0.6 -5,-0.1 4,-0.4 0.755 100.6 63.3-102.1 -33.6 12.6 22.3 55.8 451 462 A I G >X S+ 0 0 43 -4,-1.3 4,-1.3 1,-0.2 3,-1.1 0.816 89.9 65.1 -64.9 -34.8 12.3 19.2 57.9 452 463 A P G 34 S+ 0 0 8 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.790 103.2 46.7 -67.6 -28.7 16.0 18.6 58.7 453 464 A I G <4 S+ 0 0 30 -3,-0.6 3,-0.2 -4,-0.2 -2,-0.2 0.619 111.1 57.2 -81.1 -13.3 16.3 21.8 60.8 454 465 A F T <4 S+ 0 0 18 -3,-1.1 14,-0.2 -4,-0.4 -1,-0.2 0.792 83.8 73.2 -91.5 -30.3 13.0 20.9 62.6 455 466 A T < + 0 0 63 -4,-1.3 -1,-0.2 13,-0.1 -2,-0.1 0.704 65.0 135.6 -63.2 -20.7 13.6 17.4 64.1 456 467 A L - 0 0 41 -3,-0.2 9,-0.2 -4,-0.2 8,-0.2 0.225 40.2-156.2 -36.9 150.7 15.9 18.7 66.8 457 468 A E + 0 0 111 385,-0.1 8,-0.2 5,-0.1 5,-0.1 0.955 46.9 91.1 -99.7 -70.7 15.2 17.4 70.3 458 469 A G S > S- 0 0 7 3,-0.3 4,-1.6 384,-0.2 5,-0.2 0.689 99.0 -62.3 -17.2-159.6 16.2 19.2 73.4 459 470 A Q H > S+ 0 0 88 2,-0.2 4,-0.9 1,-0.2 3,-0.2 0.967 143.5 39.6 -61.1 -47.3 14.2 21.7 75.4 460 471 A E H > S+ 0 0 50 1,-0.2 4,-1.1 2,-0.2 5,-0.2 0.865 112.7 55.1 -69.5 -38.1 14.1 24.0 72.4 461 472 A G H > S+ 0 0 6 1,-0.3 4,-1.4 2,-0.2 -3,-0.3 0.719 105.3 52.6 -71.3 -23.0 13.7 21.1 70.0 462 473 A R H < S+ 0 0 81 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.793 107.2 57.0 -72.4 -29.1 10.6 20.0 71.9 463 474 A L H < S+ 0 0 39 -4,-0.9 4,-0.3 1,-0.2 -2,-0.2 0.723 113.9 34.1 -79.3 -22.7 9.6 23.6 71.4 464 475 A F H X S+ 0 0 17 -4,-1.1 4,-2.0 -8,-0.2 -1,-0.2 0.691 90.8 94.5-100.1 -23.9 9.7 23.6 67.6 465 476 A G H X S+ 0 0 20 -4,-1.4 4,-1.8 1,-0.2 5,-0.2 0.777 86.9 50.6 -32.4 -46.8 8.6 19.9 67.2 466 477 A P H > S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.982 113.7 41.2 -58.2 -62.7 5.0 21.2 66.8 467 478 A L H > S+ 0 0 4 -4,-0.3 4,-2.1 2,-0.2 5,-0.3 0.963 109.8 61.2 -49.0 -65.5 5.8 23.8 64.1 468 479 A A H >X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 3,-0.6 0.830 110.0 39.2 -16.5 -77.1 8.2 21.4 62.4 469 480 A F H 3X S+ 0 0 44 -4,-1.8 4,-1.5 1,-0.2 5,-0.3 0.932 108.9 62.7 -47.7 -54.4 5.4 18.9 61.7 470 481 A T H 3X S+ 0 0 16 -4,-2.4 4,-2.0 1,-0.3 -1,-0.2 0.817 104.3 46.7 -48.9 -40.8 2.8 21.5 60.9 471 482 A K H X S+ 0 0 20 -4,-0.9 4,-1.4 -6,-0.4 3,-1.1 0.926 94.2 52.7 -75.7 -51.5 -1.9 20.3 45.6 482 493 A A H >< S+ 0 0 3 -4,-3.9 3,-1.4 1,-0.3 -2,-0.2 0.955 110.6 49.3 -42.8 -56.3 0.4 21.7 42.9 483 494 A I T 3< S+ 0 0 39 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.736 123.8 31.3 -56.2 -26.7 -0.2 18.4 41.2 484 495 A V T <> S+ 0 0 48 -3,-1.1 4,-0.7 -4,-0.5 -1,-0.3 0.199 94.7 85.5-120.9 14.8 -3.9 18.8 41.7 485 496 A V T << S+ 0 0 11 -3,-1.4 4,-0.2 -4,-1.4 -3,-0.1 0.167 88.8 64.2 -90.1 13.5 -4.1 22.6 41.6 486 497 A I T 4 S+ 0 0 46 -5,-0.3 4,-0.5 -3,-0.1 3,-0.4 0.839 98.8 43.1 -98.0 -51.0 -4.3 21.7 37.9 487 498 A P T > S+ 0 0 27 0, 0.0 4,-0.5 0, 0.0 3,-0.5 0.820 108.7 60.8 -64.1 -36.5 -7.6 19.7 37.6 488 499 A I T < S+ 0 0 51 -4,-0.7 3,-0.5 1,-0.2 -3,-0.1 0.766 88.4 68.5 -62.3 -36.7 -9.6 22.1 39.9 489 500 A L T 4 S+ 0 0 48 -3,-0.4 -1,-0.2 1,-0.2 -3,-0.1 0.847 90.0 63.1 -56.9 -40.1 -9.2 25.4 37.8 490 501 A M T 4 0 0 73 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.2 0.894 360.0 360.0 -53.8 -47.0 -11.4 24.1 35.0 491 502 A G < 0 0 96 -4,-0.5 -3,-0.1 -3,-0.5 -2,-0.1 0.628 360.0 360.0 -94.6 360.0 -14.4 23.9 37.3 492 ! 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 0.0 493 515 A N >> 0 0 128 0, 0.0 3,-0.6 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 -63.9 -0.3 46.2 30.4 494 516 A P H 3> + 0 0 75 0, 0.0 4,-0.8 0, 0.0 3,-0.4 0.694 360.0 54.7 -69.1 -32.5 1.9 49.3 30.6 495 517 A L H 3> S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.839 96.5 65.6 -71.4 -34.9 4.4 48.4 33.4 496 518 A N H <> S+ 0 0 33 -3,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.828 98.2 56.4 -57.7 -31.1 5.6 45.2 31.7 497 519 A R H X S+ 0 0 153 -4,-0.6 4,-2.0 -3,-0.4 -1,-0.2 0.920 109.0 43.2 -66.8 -45.7 7.0 47.3 28.8 498 520 A F H X S+ 0 0 127 -4,-0.8 4,-1.7 -3,-0.3 -2,-0.2 0.807 114.2 51.1 -72.7 -31.1 9.2 49.4 31.1 499 521 A L H < S+ 0 0 48 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.880 110.5 49.9 -69.4 -39.1 10.4 46.4 33.1 500 522 A I H X S+ 0 0 34 -4,-2.0 4,-1.3 -5,-0.2 3,-0.3 0.877 112.4 45.8 -69.1 -39.0 11.3 44.6 29.9 501 523 A R H < S+ 0 0 159 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.845 110.9 52.8 -70.5 -36.1 13.3 47.5 28.5 502 524 A V T < S+ 0 0 70 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.657 111.6 51.4 -70.3 -12.3 15.0 47.9 31.9 503 525 A Y T > S+ 0 0 15 -4,-0.5 4,-1.3 -3,-0.3 3,-0.2 0.725 93.2 65.3-101.5 -26.4 15.8 44.2 31.5 504 526 A H H X S+ 0 0 63 -4,-1.3 4,-1.2 1,-0.2 -2,-0.1 0.713 98.6 56.6 -72.5 -20.6 17.4 43.9 28.1 505 527 A P H 4 S+ 0 0 35 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.822 106.3 49.1 -76.8 -29.8 20.4 46.0 29.1 506 528 A L H > S+ 0 0 54 -4,-0.3 4,-2.9 -3,-0.2 5,-0.3 0.761 109.5 51.1 -80.7 -26.2 21.3 43.7 32.1 507 529 A L H X S+ 0 0 7 -4,-1.3 4,-0.6 2,-0.2 -1,-0.2 0.868 112.4 46.8 -72.4 -36.0 21.1 40.6 29.9 508 530 A L H < S+ 0 0 70 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.403 120.3 43.0 -81.1 5.0 23.4 42.5 27.5 509 531 A K H > S+ 0 0 79 -3,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.615 106.3 53.1-122.6 -24.1 25.4 43.2 30.7 510 532 A V H < S+ 0 0 17 -4,-2.9 -3,-0.2 2,-0.2 7,-0.2 0.621 121.5 41.2 -76.0 -15.4 25.4 40.0 32.6 511 533 A L T < S+ 0 0 70 -4,-0.6 -2,-0.2 -5,-0.3 -3,-0.2 0.843 104.3 62.1 -89.2 -50.0 26.7 38.9 29.2 512 534 A H T 4 S+ 0 0 110 1,-0.2 -2,-0.2 -4,-0.2 -3,-0.1 0.751 120.8 28.6 -46.0 -25.9 28.9 42.0 28.8 513 535 A W < + 0 0 122 -4,-0.6 -1,-0.2 1,-0.1 4,-0.1 -0.941 58.4 169.9-146.1 120.9 30.6 40.5 31.9 514 536 A P S >> S+ 0 0 59 0, 0.0 3,-2.1 0, 0.0 4,-0.5 0.924 85.9 44.7 -85.4 -68.2 30.8 36.9 33.0 515 537 A K H >> S+ 0 0 107 1,-0.3 4,-1.3 2,-0.2 3,-1.0 0.792 97.7 78.4 -45.3 -36.1 33.3 37.1 35.9 516 538 A T H 3> S+ 0 0 39 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.720 85.4 59.1 -56.1 -26.1 31.5 40.2 37.2 517 539 A T H <> S+ 0 0 37 -3,-2.1 4,-0.9 1,-0.2 -1,-0.3 0.936 106.2 47.9 -68.7 -42.9 28.7 38.1 38.7 518 540 A L H X S+ 0 0 105 -4,-1.0 4,-2.4 2,-0.1 3,-0.9 0.973 112.4 34.8 -76.8 -61.2 30.7 41.4 47.5 524 546 A S H 3X S+ 0 0 26 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.801 117.6 52.5 -69.7 -30.6 27.1 40.8 48.5 525 547 A V H 3< S+ 0 0 55 -4,-2.3 -1,-0.2 1,-0.2 -3,-0.1 0.534 117.2 39.7 -87.1 -2.7 27.7 37.3 50.0 526 548 A L H X4 S+ 0 0 115 -3,-0.9 3,-1.0 -5,-0.2 -2,-0.2 0.618 106.7 61.2-109.4 -23.9 30.4 38.8 52.2 527 549 A T H >< S+ 0 0 64 -4,-2.4 3,-2.3 1,-0.2 5,-0.2 0.898 95.2 66.6 -62.0 -36.6 28.7 42.0 53.0 528 550 A V T 3X S+ 0 0 8 -4,-1.3 4,-1.1 1,-0.3 -1,-0.2 0.730 83.4 75.5 -53.3 -24.5 26.1 39.7 54.6 529 551 A L T <4 S+ 0 0 86 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.540 81.2 68.8 -73.1 -5.5 28.7 38.8 57.1 530 552 A W T <> S+ 0 0 115 -3,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.831 112.0 28.7 -84.5 -34.8 28.3 42.1 58.9 531 553 A P H > S+ 0 0 4 0, 0.0 4,-0.5 0, 0.0 -2,-0.2 0.520 113.9 69.0 -91.7 -6.6 24.8 41.3 60.2 532 554 A L H < S+ 0 0 72 -4,-1.1 -2,-0.2 -5,-0.2 -3,-0.2 0.354 115.0 24.6 -87.2 4.8 25.9 37.6 60.2 533 555 A N H 4 S+ 0 0 123 -3,-0.2 -3,-0.1 -5,-0.1 -1,-0.1 0.518 127.7 42.2-134.4 -31.7 28.3 38.4 63.0 534 556 A K H < S+ 0 0 81 -4,-1.1 -2,-0.1 -5,-0.1 -4,-0.1 0.819 74.3 178.1 -84.3 -37.0 26.8 41.4 64.8 535 557 A V < - 0 0 55 -4,-0.5 2,-2.4 -5,-0.2 -3,-0.1 0.569 53.2-100.8 49.8 14.8 23.3 40.0 64.5 536 558 A G S S- 0 0 32 363,-0.0 363,-0.2 359,-0.0 2,-0.2 -0.434 73.1 -66.0 74.5 -72.2 21.9 43.0 66.4 537 559 A G S S+ 0 0 29 -2,-2.4 -2,-0.1 361,-0.6 -3,-0.0 -0.676 88.0 28.1 156.6 150.3 21.6 41.3 69.8 538 560 A E - 0 0 124 -2,-0.2 -1,-0.4 2,-0.1 0, 0.0 0.280 55.4-134.1 62.4 165.9 19.8 38.5 71.7 539 561 A F + 0 0 108 1,-0.1 363,-0.1 363,-0.0 360,-0.1 0.554 66.6 1.6-118.6-100.4 18.3 35.3 70.3 540 562 A L S S+ 0 0 75 361,-0.1 2,-0.2 359,-0.1 361,-0.1 -0.788 81.8 124.3-108.3 88.5 14.9 33.6 71.0 541 563 A P + 0 0 35 0, 0.0 2,-0.2 0, 0.0 358,-0.0 -0.729 32.5 43.2-126.3-178.1 12.8 35.7 73.5 542 564 A Q + 0 0 126 -2,-0.2 2,-0.1 1,-0.1 -2,-0.0 -0.526 31.0 157.3 96.3-146.1 9.3 37.4 73.8 543 565 A I - 0 0 60 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 -0.114 43.5 -95.8 90.8 164.4 5.6 36.6 73.1 544 566 A N - 0 0 37 -2,-0.1 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-1,-0.2 0.913 105.6 64.9 -59.5 -41.4 41.0 20.4 88.7 823 845 A A T 3< S+ 0 0 78 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.569 97.0 56.1 -63.0 -10.4 42.6 17.0 88.1 824 846 A E T < S+ 0 0 141 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.633 126.1 2.2-101.8 -15.7 46.1 18.3 88.8 825 847 A K S < S+ 0 0 183 -3,-1.5 2,-0.3 -4,-0.5 -2,-0.2 -0.151 90.8 106.2-170.7 69.2 45.6 19.8 92.3 826 848 A V - 0 0 67 -4,-0.2 2,-0.5 -3,-0.1 -148,-0.0 -0.992 54.8-120.5-149.4 152.1 42.3 19.5 94.1 827 849 A Q - 0 0 143 -2,-0.3 2,-0.6 -150,-0.1 -150,-0.0 -0.764 15.2-167.8-105.4 121.9 41.0 17.5 97.1 828 850 A L - 0 0 113 -2,-0.5 3,-0.2 4,-0.0 4,-0.1 -0.906 20.8-142.3-105.0 115.6 38.0 15.0 97.1 829 851 A K - 0 0 119 -2,-0.6 2,-0.2 1,-0.2 -1,-0.0 0.048 50.7 -39.8 -72.9-177.8 36.9 14.0 100.6 830 852 A P S S- 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -160,-0.1 -0.180 119.8 -16.2 -58.2 108.9 35.7 10.4 101.7 831 853 A G S S+ 0 0 57 -2,-0.2 2,-0.3 -3,-0.2 -2,-0.1 0.900 93.2 130.5 63.6 102.7 33.5 9.0 98.9 832 854 A T - 0 0 29 -4,-0.1 2,-0.3 -166,-0.1 -167,-0.2 -0.946 31.3-163.2-175.2 156.8 32.3 11.7 96.4 833 855 A S E -X 664 0N 59 -169,-1.6 -169,-2.6 -2,-0.3 2,-0.4 -0.986 12.1-137.8-149.7 156.5 32.0 12.6 92.8 834 856 A V E -X 663 0N 56 -2,-0.3 2,-0.3 -171,-0.2 -171,-0.2 -0.950 17.9-178.5-119.4 137.8 31.5 15.6 90.5 835 857 A A E -X 662 0N 55 -173,-2.0 -173,-2.7 -2,-0.4 2,-0.3 -0.946 14.7-140.7-130.8 154.8 29.3 15.8 87.3 836 858 A F E +X 661 0N 102 -2,-0.3 2,-0.3 -175,-0.2 -175,-0.2 -0.867 29.6 143.1-118.5 150.8 28.6 18.6 84.9 837 859 A S + 0 0 26 -177,-1.3 2,-0.3 -2,-0.3 -2,-0.0 -0.977 0.3 126.7-174.7 161.8 25.4 19.7 83.1 838 860 A G S S- 0 0 15 -2,-0.3 4,-0.4 -179,-0.1 -179,-0.2 -0.967 75.2 -55.0 172.3-158.7 23.2 22.6 81.8 839 861 A Q S > S+ 0 0 61 -182,-0.9 4,-1.1 -2,-0.3 -180,-0.1 0.336 121.0 77.3 -86.2 5.9 21.4 23.8 78.7 840 862 A F H > S+ 0 0 25 -182,-1.3 4,-2.2 2,-0.2 3,-0.4 0.936 85.3 52.7 -77.2 -51.7 24.8 23.5 77.1 841 863 A E H > S+ 0 0 106 -183,-0.3 4,-1.4 1,-0.3 -1,-0.2 0.809 111.4 52.5 -54.5 -27.7 24.9 19.7 76.6 842 864 A L H > S+ 0 0 25 -4,-0.4 4,-1.2 2,-0.2 -1,-0.3 0.873 109.7 45.5 -75.7 -39.4 21.5 20.3 74.9 843 865 A L H X S+ 0 0 68 -4,-1.1 4,-1.3 -3,-0.4 -2,-0.2 0.719 114.2 49.7 -75.5 -22.3 22.9 22.9 72.5 844 866 A E H X S+ 0 0 71 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.777 107.7 52.0 -87.8 -29.7 25.9 20.8 71.7 845 867 A R H X S+ 0 0 117 -4,-1.4 4,-1.1 -5,-0.3 -2,-0.2 0.849 112.2 46.9 -71.9 -35.1 24.0 17.6 71.0 846 868 A A H X S+ 0 0 23 -4,-1.2 4,-2.6 2,-0.2 3,-0.3 0.910 108.6 53.2 -73.7 -45.2 21.8 19.5 68.5 847 869 A N H X S+ 0 0 87 -4,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.871 110.0 51.1 -52.8 -38.2 24.7 21.3 66.8 848 870 A H H < S+ 0 0 118 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.804 116.4 38.5 -72.4 -31.3 26.1 17.8 66.3 849 871 A K H >< S+ 0 0 130 -4,-1.1 3,-0.7 -3,-0.3 4,-0.5 0.661 110.5 59.8 -93.0 -18.1 22.9 16.4 64.8 850 872 A L H 3X S+ 0 0 33 -4,-2.6 4,-1.8 1,-0.2 3,-0.4 0.801 100.0 56.3 -77.2 -32.2 22.1 19.6 62.8 851 873 A K T 3< S+ 0 0 117 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.1 0.090 111.9 46.2 -82.5 22.7 25.4 19.2 60.9 852 874 A L T <4 S+ 0 0 98 -3,-0.7 -2,-0.2 -400,-0.1 -1,-0.2 0.384 113.4 44.5-140.6 -15.3 24.1 15.8 60.0 853 875 A M T > S+ 0 0 81 -4,-0.5 4,-0.6 -3,-0.4 -2,-0.2 0.598 113.5 49.6-106.3 -20.9 20.6 16.7 59.0 854 876 A V H X S+ 0 0 46 -4,-1.8 4,-0.7 2,-0.2 -3,-0.2 0.831 115.6 43.5 -83.3 -38.0 21.5 19.7 56.9 855 877 A P H > S+ 0 0 54 0, 0.0 4,-1.8 0, 0.0 3,-0.3 0.876 116.5 48.7 -65.6 -37.6 24.2 17.7 55.1 856 878 A M H > S+ 0 0 93 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.724 107.7 54.8 -73.2 -21.8 21.6 14.9 54.8 857 879 A T H < S+ 0 0 12 -4,-0.6 4,-0.4 2,-0.2 -1,-0.2 0.685 111.5 45.2 -81.7 -18.2 19.0 17.4 53.6 858 880 A L H X S+ 0 0 90 -4,-0.7 4,-2.8 -3,-0.3 5,-0.2 0.736 106.2 57.7 -93.8 -28.1 21.5 18.4 50.9 859 881 A M H X S+ 0 0 130 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.909 115.6 37.9 -64.5 -41.9 22.4 14.8 49.9 860 882 A I H < S+ 0 0 73 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.751 114.5 57.3 -78.2 -24.9 18.7 14.2 49.2 861 883 A I H >4 S+ 0 0 18 -4,-0.4 3,-0.5 1,-0.2 4,-0.3 0.906 112.2 39.5 -71.4 -40.2 18.5 17.7 47.8 862 884 A F H 3X S+ 0 0 69 -4,-2.8 4,-1.0 2,-0.3 -2,-0.2 0.833 104.8 62.8 -81.5 -32.7 21.2 17.1 45.2 863 885 A V T 3< S+ 0 0 91 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 0.024 122.2 30.0 -72.1 30.2 20.0 13.5 44.5 864 886 A L T <4 S+ 0 0 49 -3,-0.5 4,-0.4 -6,-0.2 -2,-0.3 0.266 104.0 73.7-159.9 -12.2 17.1 15.8 43.5 865 887 A L T 4 S+ 0 0 21 -4,-0.3 -3,-0.2 -7,-0.2 -2,-0.1 0.619 108.7 37.3 -79.2 -13.1 18.8 19.0 42.4 866 888 A Y S X S+ 0 0 117 -4,-1.0 4,-2.6 -5,-0.1 3,-0.4 0.577 93.7 91.4-114.0 -15.5 19.9 17.2 39.2 867 889 A L T 4 S+ 0 0 97 1,-0.2 3,-0.4 2,-0.2 -2,-0.1 0.935 86.6 38.0 -51.8 -73.7 16.9 15.0 38.4 868 890 A A T 4 S+ 0 0 51 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.698 130.6 28.3 -58.4 -20.5 14.6 16.9 36.1 869 891 A F T 4 S- 0 0 41 -3,-0.4 2,-1.5 1,-0.1 -1,-0.2 0.518 85.0-145.4-128.5 -7.6 17.5 18.5 34.1 870 892 A R < + 0 0 200 -4,-2.6 2,-0.2 -3,-0.4 -1,-0.1 -0.471 59.4 93.8 91.7 -71.2 20.6 16.3 34.1 871 893 A R >> - 0 0 143 -2,-1.5 3,-0.9 1,-0.1 4,-0.7 -0.410 62.1-140.3 -81.9 139.1 23.8 18.5 34.1 872 894 A V H >> S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.819 92.1 72.4 -63.4 -38.4 25.7 19.5 37.3 873 895 A G H 3> S+ 0 0 6 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.823 97.0 52.7 -48.8 -37.0 26.5 23.1 36.3 874 896 A E H <> S+ 0 0 12 -3,-0.9 4,-1.9 2,-0.2 -1,-0.3 0.923 107.4 51.1 -63.9 -46.3 22.9 24.0 36.8 875 897 A A H X S+ 0 0 0 -4,-0.9 4,-1.0 -5,-0.2 3,-0.5 0.837 96.7 53.2 -80.6 -37.5 22.2 31.5 43.9 882 904 A V H >X S+ 0 0 23 -4,-1.3 4,-2.4 1,-0.2 3,-0.8 0.955 95.0 65.6 -66.5 -50.6 20.5 30.9 47.3 883 905 A P H 3> S+ 0 0 40 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.730 102.2 52.5 -44.9 -27.5 23.3 32.5 49.5 884 906 A F H <> S+ 0 0 35 -3,-0.5 4,-2.8 -4,-0.4 5,-0.3 0.900 106.4 51.0 -74.0 -44.6 22.4 35.8 47.8 885 907 A A H X S+ 0 0 0 -4,-2.9 3,-1.7 107,-0.5 4,-0.6 0.991 108.7 45.9 -58.3 -81.3 17.1 38.4 53.7 890 912 A I H >X S+ 0 0 3 -4,-2.5 3,-1.0 1,-0.3 4,-1.0 0.725 109.1 60.4 -35.0 -34.4 19.4 38.4 56.7 891 913 A W H 3X S+ 0 0 61 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.3 0.933 89.3 66.6 -66.2 -46.2 20.1 42.1 55.9 892 914 A L H S+ 0 0 10 -3,-1.0 5,-1.5 -4,-0.6 4,-1.5 0.948 98.5 51.0 -81.5 -53.6 17.4 42.0 59.9 894 916 A W H <5S+ 0 0 102 -4,-1.0 -2,-0.2 2,-0.3 -1,-0.1 0.880 103.0 63.5 -53.8 -40.3 20.2 44.4 60.7 895 917 A W H <5S+ 0 0 199 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.962 114.2 32.3 -43.1 -58.9 18.0 47.2 59.5 896 918 A M H <5S- 0 0 76 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.3 0.610 110.1-131.2 -75.0 -12.3 15.7 46.3 62.4 897 919 A G T <5 + 0 0 28 -4,-1.5 -3,-0.2 -5,-0.0 -2,-0.1 0.905 46.1 176.2 62.0 44.6 18.8 45.2 64.4 898 920 A F < - 0 0 36 -5,-1.5 -361,-0.6 -362,-0.2 -5,-0.0 0.760 35.5-126.0 -62.1-132.7 17.1 42.0 65.3 899 921 A H - 0 0 31 -363,-0.2 -359,-0.1 90,-0.1 -1,-0.1 0.432 29.7-140.4-159.7 -34.5 18.2 38.9 67.1 900 922 A L + 0 0 67 -361,-0.0 2,-0.2 89,-0.0 90,-0.1 0.196 31.1 155.9 67.6 163.9 17.7 35.7 65.1 901 923 A S - 0 0 20 88,-0.1 -361,-0.1 -361,-0.1 -363,-0.0 -0.611 68.2 -57.5-176.1-132.9 16.5 32.5 66.6 902 924 A V S S+ 0 0 34 -2,-0.2 -362,-0.0 2,-0.1 -2,-0.0 0.111 133.4 65.5-119.6 3.3 14.7 29.4 65.3 903 925 A A S >> S+ 0 0 6 2,-0.2 4,-1.5 3,-0.1 3,-1.1 0.896 112.1 29.6 -82.7 -55.7 12.1 31.9 64.2 904 926 A T H 3> S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.945 111.4 71.8 -60.5 -46.9 14.5 33.5 61.8 905 927 A G H 34 S+ 0 0 20 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.527 104.6 39.9 -48.9 -6.4 16.0 30.1 61.5 906 928 A T H X> S+ 0 0 9 -3,-1.1 3,-2.0 83,-0.2 4,-1.8 0.740 106.0 57.4-110.9 -44.8 12.8 29.1 59.6 907 929 A G H 3X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.3 3,-0.4 0.961 105.8 57.8 -46.4 -51.2 12.1 32.2 57.4 908 930 A F H 3X S+ 0 0 50 -4,-2.5 4,-1.9 1,-0.2 -1,-0.3 0.758 106.6 50.6 -42.0 -31.9 15.6 31.4 56.2 909 931 A I H <> S+ 0 0 32 -3,-2.0 4,-0.7 -5,-0.3 -2,-0.2 0.827 109.3 41.8 -93.9 -35.1 14.3 27.9 55.2 910 932 A A H X S+ 0 0 9 -4,-1.8 4,-2.5 -3,-0.4 5,-0.2 0.805 115.7 59.3 -74.2 -27.8 11.2 28.5 53.2 911 933 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.4 5,-0.4 0.983 103.6 44.4 -56.9 -64.4 13.3 31.3 51.7 912 934 A A H X S+ 0 0 28 -4,-1.9 4,-0.6 1,-0.3 -1,-0.2 0.722 115.4 53.0 -60.0 -20.9 16.1 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S+ 0 0 55 -3,-0.5 4,-1.6 -4,-0.4 -1,-0.2 0.583 107.6 61.1-117.8 -14.0 21.7 36.8 36.6 1008 1030 A I H X>S+ 0 0 20 -4,-1.2 4,-3.1 2,-0.2 5,-0.8 0.896 102.3 53.5 -79.2 -43.4 22.7 33.4 38.0 1009 1031 A I H <5S+ 0 0 0 -4,-0.8 -1,-0.1 -5,-0.2 -2,-0.1 0.855 120.5 33.1 -61.4 -38.4 21.0 31.5 35.2 1010 1032 A P H >5S+ 0 0 21 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.874 125.2 44.4 -79.4 -35.9 22.9 33.6 32.6 1011 1033 A A H X5S+ 0 0 2 -4,-1.6 4,-0.6 2,-0.2 -2,-0.2 0.627 115.5 37.6 -97.8 -18.5 26.0 34.0 34.6 1012 1034 A A H X5S+ 0 0 29 -4,-3.1 4,-1.7 2,-0.1 -1,-0.2 0.626 116.3 59.4 -95.1 -15.8 27.0 30.7 36.2 1013 1035 A Y H 4