==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 29-SEP-02 1MWH . COMPND 2 MOLECULE: MINOR CORE PROTEIN LAMBDA 3; . SOURCE 2 ORGANISM_SCIENTIFIC: REOVIRUS SP.; . AUTHOR Y.TAO,D.L.FARSETTA,M.L.NIBERT,S.C.HARRISON . 1256 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47512.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 862 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 66 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 158 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 456 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.9 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 4 2 2 4 5 5 4 2 3 7 1 3 4 4 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 3 5 3 2 5 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 . 7 2 3 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 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 2 A S >> 0 0 56 0, 0.0 3,-2.3 0, 0.0 4,-1.2 0.000 360.0 360.0 360.0 92.7 -31.9 109.5 53.5 2 3 A S H 3> + 0 0 83 1,-0.3 4,-4.0 2,-0.2 5,-0.4 0.423 360.0 41.2 6.0 -78.4 -34.6 108.5 56.0 3 4 A M H 3> S+ 0 0 61 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.947 131.5 28.6 -48.3 -55.9 -35.6 105.5 54.0 4 5 A I H <> S+ 0 0 1 -3,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.937 123.9 49.0 -71.0 -48.9 -32.0 104.6 53.3 5 6 A L H X S+ 0 0 83 -4,-1.2 4,-0.9 1,-0.2 -3,-0.2 0.810 111.4 52.8 -60.8 -31.3 -30.5 106.2 56.4 6 7 A T H < S+ 0 0 112 -4,-4.0 -1,-0.2 -5,-0.4 -2,-0.2 0.913 114.7 38.5 -72.8 -44.2 -33.1 104.3 58.5 7 8 A Q H < S+ 0 0 89 -4,-1.6 -2,-0.2 -5,-0.4 -1,-0.2 0.685 130.1 25.5 -83.4 -18.2 -32.4 100.9 57.1 8 9 A F H >X S+ 0 0 2 -4,-2.0 4,-3.2 -5,-0.1 3,-0.7 0.315 80.7 123.4-127.0 8.8 -28.6 101.0 56.8 9 10 A G H 3X S+ 0 0 16 -4,-0.9 4,-1.6 1,-0.3 5,-0.2 0.840 77.7 42.3 -38.1 -64.7 -27.7 103.6 59.4 10 11 A P H 3> S+ 0 0 83 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.848 118.3 46.3 -57.0 -35.5 -25.3 101.5 61.5 11 12 A F H <> S+ 0 0 4 -3,-0.7 4,-1.2 2,-0.2 3,-0.5 0.903 106.9 58.9 -72.6 -41.8 -23.6 100.0 58.5 12 13 A I H < S+ 0 0 5 -4,-3.2 3,-0.2 1,-0.3 -1,-0.2 0.842 108.2 45.8 -56.0 -36.0 -23.3 103.4 56.8 13 14 A E H <>S+ 0 0 92 -4,-1.6 6,-2.3 -5,-0.3 5,-1.8 0.753 106.0 59.3 -81.1 -23.3 -21.2 104.7 59.7 14 15 A S H <5S+ 0 0 4 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.700 110.9 41.0 -77.6 -19.7 -19.0 101.6 59.9 15 16 A I T <5S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.304 108.0 62.3-109.0 6.8 -17.9 102.2 56.3 16 17 A S T 5S- 0 0 8 -3,-0.5 151,-0.3 -5,-0.2 -2,-0.2 0.367 115.6-106.2-108.8 0.9 -17.5 105.9 56.7 17 18 A G T 5S+ 0 0 11 2,-0.3 -3,-0.2 -4,-0.3 -4,-0.1 0.555 98.3 99.7 86.9 9.6 -14.9 105.7 59.4 18 19 A I S - 0 0 47 -2,-0.3 4,-2.9 1,-0.1 3,-0.3 -0.988 38.7-125.4-150.3 141.0 -18.7 94.2 62.6 23 24 A N H > S+ 0 0 5 -2,-0.3 4,-3.7 916,-0.3 5,-0.3 0.834 108.5 62.0 -56.3 -34.5 -20.1 91.2 60.9 24 25 A D H > S+ 0 0 124 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.961 111.7 35.9 -56.8 -53.1 -23.4 91.7 62.8 25 26 A V H > S+ 0 0 33 -3,-0.3 4,-3.3 2,-0.2 5,-0.3 0.943 116.8 54.6 -66.8 -44.7 -24.0 95.0 61.2 26 27 A F H X S+ 0 0 3 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.942 113.7 41.4 -52.7 -51.6 -22.5 93.9 57.9 27 28 A E H X S+ 0 0 17 -4,-3.7 4,-2.6 2,-0.2 -1,-0.2 0.845 112.2 53.7 -68.4 -33.8 -24.9 91.0 57.7 28 29 A D H X S+ 0 0 98 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.946 110.3 48.7 -63.2 -45.4 -27.9 93.0 58.9 29 30 A A H X S+ 0 0 4 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.912 108.9 53.8 -58.5 -42.5 -27.1 95.4 56.1 30 31 A A H X S+ 0 0 1 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.946 107.5 49.3 -58.3 -48.3 -26.9 92.4 53.8 31 32 A K H X S+ 0 0 81 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.903 110.4 53.0 -56.9 -39.4 -30.3 91.2 54.8 32 33 A A H X S+ 0 0 3 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.871 106.9 51.3 -64.8 -38.8 -31.6 94.8 54.3 33 34 A F H >< S+ 0 0 7 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.954 110.5 47.5 -63.2 -50.0 -30.2 94.9 50.7 34 35 A S H 3< S+ 0 0 53 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.705 110.5 52.2 -65.8 -22.0 -31.8 91.6 49.7 35 36 A M H 3< S+ 0 0 130 -4,-1.2 2,-0.5 -5,-0.2 -1,-0.3 0.492 84.6 104.5 -92.9 -5.5 -35.2 92.7 51.1 36 37 A F << - 0 0 24 -3,-1.2 2,-0.2 -4,-0.5 119,-0.0 -0.660 67.8-140.3 -77.7 120.8 -35.2 96.0 49.2 37 38 A T >> - 0 0 72 -2,-0.5 4,-1.2 1,-0.1 3,-0.8 -0.510 20.6-112.7 -81.2 153.7 -37.6 95.8 46.3 38 39 A R H >> S+ 0 0 80 1,-0.3 4,-1.3 2,-0.2 3,-1.1 0.922 116.9 52.7 -49.6 -52.7 -36.6 97.4 43.0 39 40 A S H 3> S+ 0 0 18 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.803 101.2 62.6 -58.1 -28.3 -39.3 100.0 43.2 40 41 A D H <> S+ 0 0 39 -3,-0.8 4,-2.8 2,-0.2 -1,-0.3 0.890 97.6 56.2 -64.9 -36.4 -38.1 101.0 46.7 41 42 A V H < S+ 0 0 1 -4,-2.8 3,-0.8 1,-0.2 4,-0.5 0.924 108.1 52.3 -63.9 -43.1 -35.3 106.2 47.7 45 46 A L H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.870 102.7 60.3 -60.3 -36.0 -34.1 108.2 44.6 46 47 A D H 3< S+ 0 0 55 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.801 95.9 61.9 -60.4 -31.8 -37.4 110.2 44.9 47 48 A E T << S+ 0 0 87 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.636 80.0 101.9 -71.4 -15.0 -36.3 111.4 48.4 48 49 A I S < S- 0 0 11 -3,-1.3 2,-2.0 -4,-0.5 -3,-0.0 -0.611 70.6-140.6 -77.3 122.4 -33.2 113.1 47.1 49 50 A P - 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.485 28.5-155.1 -80.4 69.9 -33.7 116.9 46.8 50 51 A F - 0 0 22 -2,-2.0 2,-0.2 1,-0.1 132,-0.2 -0.020 7.3-125.3 -47.7 149.6 -31.8 117.3 43.5 51 52 A S > - 0 0 34 130,-3.5 3,-1.9 129,-0.1 4,-0.2 -0.608 20.4-113.1 -95.6 157.9 -30.2 120.7 42.7 52 53 A D G > S+ 0 0 137 1,-0.3 3,-1.7 -2,-0.2 -1,-0.1 0.829 115.3 64.2 -61.0 -29.9 -30.8 122.6 39.5 53 54 A D G 3 S+ 0 0 81 1,-0.3 -1,-0.3 128,-0.1 131,-0.2 0.584 94.3 60.7 -71.4 -7.4 -27.2 122.0 38.5 54 55 A A G < S+ 0 0 0 -3,-1.9 2,-0.3 127,-0.3 -1,-0.3 0.401 95.6 84.4 -96.6 2.4 -28.0 118.3 38.3 55 56 A M < + 0 0 64 -3,-1.7 129,-0.1 -4,-0.2 195,-0.0 -0.743 45.8 162.0-109.9 154.0 -30.6 118.9 35.6 56 57 A L - 0 0 17 -2,-0.3 2,-0.1 128,-0.1 -2,-0.0 -0.967 49.7 -71.1-157.9 160.6 -30.5 119.3 31.9 57 58 A P - 0 0 121 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.369 41.6-149.1 -60.7 126.4 -33.0 119.1 29.0 58 59 A I - 0 0 33 -2,-0.1 4,-0.0 199,-0.0 196,-0.0 -0.879 22.8-117.7-103.7 112.2 -34.1 115.5 28.3 59 60 A P > - 0 0 28 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.172 14.3-149.4 -45.8 114.9 -35.0 115.0 24.5 60 61 A P G >> S+ 0 0 99 0, 0.0 3,-1.4 0, 0.0 4,-0.8 0.814 93.7 70.5 -60.4 -27.4 -38.7 114.0 24.3 61 62 A T G 34 S+ 0 0 71 1,-0.3 -3,-0.0 2,-0.2 0, 0.0 0.532 77.7 79.3 -67.9 -5.8 -37.8 112.0 21.3 62 63 A I G <4 S+ 0 0 1 -3,-2.0 -1,-0.3 1,-0.2 162,-0.2 0.862 100.7 38.2 -68.8 -32.2 -36.0 109.5 23.5 63 64 A Y T <4 S+ 0 0 14 -3,-1.4 2,-0.9 -4,-0.3 -2,-0.2 0.765 104.7 65.4 -91.2 -30.9 -39.4 108.0 24.4 64 65 A T < + 0 0 102 -4,-0.8 -1,-0.2 33,-0.1 156,-0.1 -0.818 69.6 166.1-100.3 102.5 -41.4 108.0 21.2 65 66 A K - 0 0 43 -2,-0.9 32,-0.2 156,-0.2 31,-0.2 -0.870 32.2-107.7-121.9 154.3 -39.8 105.7 18.7 66 67 A P - 0 0 64 0, 0.0 31,-2.6 0, 0.0 2,-0.2 -0.016 46.2 -81.2 -65.8 170.7 -40.7 104.0 15.4 67 68 A S > - 0 0 38 29,-0.2 3,-0.8 1,-0.1 4,-0.2 -0.511 32.1-129.7 -74.6 141.0 -41.5 100.4 14.7 68 69 A H G > S+ 0 0 11 29,-0.3 3,-2.6 1,-0.2 4,-0.2 0.804 92.5 87.4 -60.2 -29.6 -38.5 98.1 14.3 69 70 A D G > S+ 0 0 90 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.770 80.1 53.8 -44.6 -42.6 -39.9 96.8 11.1 70 71 A S G < S+ 0 0 54 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.1 0.522 100.2 67.4 -74.1 -0.8 -38.5 99.4 8.7 71 72 A Y G < S+ 0 0 30 -3,-2.6 12,-2.8 -4,-0.2 2,-0.3 0.388 99.8 48.0 -99.1 1.7 -35.0 98.6 10.0 72 73 A Y E < +A 82 0A 16 -3,-1.4 2,-0.3 10,-0.3 10,-0.2 -0.864 54.4 170.7-136.5 170.5 -34.8 95.1 8.7 73 74 A Y E -A 81 0A 87 8,-1.7 8,-3.1 -2,-0.3 2,-0.5 -0.944 36.4-100.6-164.3 176.1 -35.3 93.1 5.5 74 75 A I E -A 80 0A 45 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.957 38.4-146.9-112.0 126.1 -34.7 89.6 4.0 75 76 A D > - 0 0 19 4,-2.0 3,-2.5 -2,-0.5 5,-0.0 -0.219 34.8 -87.1 -86.8-179.3 -31.7 89.3 1.7 76 77 A A T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.755 130.4 50.8 -56.2 -26.6 -31.1 87.1 -1.4 77 78 A L T 3 S- 0 0 116 2,-0.1 -1,-0.3 595,-0.0 3,-0.1 0.161 119.2-111.5 -97.6 17.1 -29.8 84.3 0.9 78 79 A N < + 0 0 96 -3,-2.5 2,-0.4 1,-0.2 -2,-0.1 0.706 68.9 147.3 61.5 22.4 -33.0 84.6 3.1 79 80 A R - 0 0 27 591,-0.1 -4,-2.0 1,-0.0 2,-0.4 -0.754 56.7-116.1 -89.7 130.8 -30.9 85.9 6.0 80 81 A V E -A 74 0A 2 -2,-0.4 2,-0.3 588,-0.2 -6,-0.2 -0.528 47.4-172.8 -64.5 120.1 -32.7 88.5 8.2 81 82 A R E -A 73 0A 53 -8,-3.1 -8,-1.7 -2,-0.4 2,-0.5 -0.762 28.7-109.2-118.6 164.9 -30.6 91.6 7.7 82 83 A R E -A 72 0A 6 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.3 -0.799 33.5-130.7 -92.0 125.9 -30.4 95.0 9.1 83 84 A K - 0 0 79 -12,-2.8 2,-0.2 -2,-0.5 -1,-0.0 -0.677 25.2-132.9 -80.2 122.1 -31.6 97.7 6.7 84 85 A T + 0 0 60 -2,-0.5 7,-0.1 1,-0.1 -1,-0.0 -0.541 42.2 148.7 -81.8 139.0 -29.1 100.5 6.5 85 86 A Y S S+ 0 0 104 2,-0.3 -1,-0.1 -2,-0.2 6,-0.1 0.567 76.8 40.6-132.5 -39.8 -29.9 104.3 6.6 86 87 A Q S S- 0 0 93 1,-0.3 3,-0.1 4,-0.1 5,-0.1 0.465 119.1 -81.8 -96.1 -1.8 -27.0 106.1 8.2 87 88 A G > - 0 0 19 3,-0.2 3,-1.4 1,-0.1 -1,-0.3 -0.752 65.4 -36.2 134.2 179.3 -24.3 104.1 6.3 88 89 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.696 132.7 48.5 -50.0 -24.8 -22.2 100.9 6.1 89 90 A D T 3 S+ 0 0 37 1,-0.1 2,-3.5 -3,-0.1 3,-0.5 0.725 79.5 100.0 -90.3 -25.4 -22.0 100.9 9.9 90 91 A D < + 0 0 0 -3,-1.4 -5,-0.2 1,-0.2 -3,-0.2 -0.258 50.9 106.0 -65.8 66.8 -25.7 101.4 10.7 91 92 A V + 0 0 15 -2,-3.5 288,-0.4 -7,-0.1 -1,-0.2 0.402 50.0 97.2-125.3 -3.7 -26.2 97.8 11.4 92 93 A Y S S- 0 0 3 -3,-0.5 286,-0.2 1,-0.2 46,-0.0 0.138 91.2 -50.8 -75.8-166.0 -26.6 97.6 15.2 93 94 A V - 0 0 0 284,-0.8 173,-0.4 45,-0.1 174,-0.3 -0.585 62.0-133.9 -72.9 126.2 -29.8 97.6 17.3 94 95 A P - 0 0 0 0, 0.0 2,-1.2 0, 0.0 170,-0.3 -0.447 18.0-109.3 -80.8 153.2 -32.1 100.4 16.2 95 96 A N + 0 0 0 168,-2.4 2,-0.3 -2,-0.1 169,-0.1 -0.687 65.2 139.9 -84.6 96.2 -33.9 102.7 18.7 96 97 A C - 0 0 0 -2,-1.2 127,-1.8 -31,-0.2 128,-0.2 -0.804 56.6 -82.6-134.6 172.6 -37.5 101.5 18.3 97 98 A S + 0 0 23 -31,-2.6 -29,-0.3 -2,-0.3 125,-0.1 -0.247 37.0 176.1 -68.1 164.2 -40.7 100.7 20.2 98 99 A I > + 0 0 2 123,-0.5 3,-1.9 120,-0.2 4,-0.2 0.513 57.0 82.6-144.5 -28.6 -40.8 97.3 21.8 99 100 A V G > S+ 0 0 35 122,-0.3 3,-1.9 119,-0.3 123,-0.1 0.852 83.6 65.4 -55.2 -38.3 -44.1 97.0 23.8 100 101 A E G 3 S+ 0 0 89 1,-0.3 -1,-0.3 119,-0.1 117,-0.0 0.657 100.6 53.3 -61.4 -13.0 -46.2 96.1 20.8 101 102 A L G < S+ 0 0 14 -3,-1.9 14,-2.6 11,-0.1 -1,-0.3 0.406 95.5 88.4-102.7 3.0 -44.2 92.8 20.4 102 103 A L E < -B 114 0B 19 -3,-1.9 12,-0.2 12,-0.3 112,-0.0 -0.716 58.4-147.8-111.4 156.0 -44.6 91.5 24.0 103 104 A E E -B 113 0B 84 10,-2.4 10,-1.8 -2,-0.3 3,-0.1 -0.967 41.8-103.2-113.7 127.8 -47.0 89.3 26.0 104 105 A P E -B 112 0B 80 0, 0.0 8,-0.3 0, 0.0 5,-0.2 -0.113 38.6-108.3 -50.0 145.6 -47.4 90.2 29.7 105 106 A H - 0 0 56 6,-3.2 6,-0.1 3,-0.7 109,-0.0 -0.476 26.0-118.7 -74.4 150.2 -45.5 87.9 32.1 106 107 A E S S+ 0 0 174 1,-0.1 3,-0.3 -2,-0.1 -1,-0.1 0.968 106.4 17.8 -53.8 -63.6 -47.7 85.6 34.2 107 108 A T S S+ 0 0 111 1,-0.2 2,-1.5 2,-0.1 -1,-0.1 0.902 124.1 55.2 -78.5 -44.4 -46.8 87.0 37.6 108 109 A L > + 0 0 69 1,-0.2 3,-3.3 2,-0.1 -3,-0.7 -0.488 69.5 178.4 -90.2 66.4 -45.2 90.3 36.7 109 110 A T T 3 S+ 0 0 101 -2,-1.5 -1,-0.2 -3,-0.3 -2,-0.1 0.641 74.3 58.4 -42.7 -25.0 -48.2 91.6 34.8 110 111 A S T 3 S+ 0 0 20 -3,-0.1 107,-3.9 -6,-0.1 -1,-0.3 0.579 101.2 64.1 -86.9 -8.1 -46.5 94.9 34.1 111 112 A Y E < - C 0 216B 5 -3,-3.3 -6,-3.2 105,-0.3 2,-0.3 -0.789 66.3-166.0-112.7 157.3 -43.6 93.3 32.3 112 113 A G E -BC 104 215B 0 103,-1.7 103,-1.9 -8,-0.3 2,-0.2 -0.985 11.5-150.9-146.0 156.4 -43.5 91.4 29.1 113 114 A R E -B 103 0B 96 -10,-1.8 -10,-2.4 -2,-0.3 2,-0.1 -0.683 51.9 -64.9-116.4 169.1 -41.4 89.1 26.9 114 115 A L E -B 102 0B 26 -12,-0.2 -12,-0.3 -2,-0.2 -1,-0.1 -0.370 70.0 -95.3 -57.5 126.3 -41.3 88.5 23.2 115 116 A S > - 0 0 14 -14,-2.6 4,-2.2 1,-0.2 3,-0.2 -0.190 22.3-141.9 -50.6 121.8 -44.7 87.0 22.2 116 117 A E H > S+ 0 0 129 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.810 103.6 57.5 -54.0 -31.4 -44.5 83.2 22.0 117 118 A A H > S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.957 105.3 47.3 -65.7 -51.1 -46.8 83.5 19.0 118 119 A I H > S+ 0 0 20 -3,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.897 114.4 48.1 -58.0 -42.2 -44.4 85.8 17.1 119 120 A E H X S+ 0 0 47 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.912 114.0 44.3 -66.3 -45.0 -41.5 83.5 17.8 120 121 A N H X S+ 0 0 61 -4,-2.3 4,-1.7 2,-0.3 -1,-0.2 0.865 112.6 52.6 -67.3 -35.8 -43.3 80.3 16.8 121 122 A R H <>S+ 0 0 113 -4,-2.7 5,-2.0 2,-0.2 -1,-0.2 0.830 110.9 49.0 -67.0 -29.3 -44.6 82.0 13.8 122 123 A A H ><5S+ 0 0 4 -4,-1.3 3,-1.5 7,-0.2 -2,-0.3 0.862 105.7 54.8 -76.3 -36.3 -40.9 82.9 13.2 123 124 A K H 3<5S+ 0 0 122 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.842 101.9 62.4 -66.7 -28.6 -39.8 79.3 13.7 124 125 A D T 3<5S- 0 0 136 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.092 124.4-103.4 -86.7 28.1 -42.4 78.5 11.0 125 126 A G T < 5 + 0 0 50 -3,-1.5 -3,-0.2 1,-0.2 2,-0.2 0.505 64.3 158.0 66.9 5.9 -40.5 80.5 8.5 126 127 A D >< - 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0 0 47 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.092 55.9-108.6 -50.7 149.3 -0.7 118.6 13.4 325 326 A S - 0 0 82 1,-0.1 4,-0.2 -3,-0.1 -42,-0.1 -0.549 25.9-170.7 -80.1 147.0 -3.8 120.4 14.5 326 327 A N > + 0 0 23 -2,-0.2 4,-3.1 -44,-0.1 5,-0.2 0.293 53.9 110.1-122.1 9.4 -7.1 118.5 14.7 327 328 A D H > S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.874 78.1 50.3 -49.1 -49.6 -9.4 121.4 15.3 328 329 A K H > S+ 0 0 147 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.970 115.8 39.2 -58.8 -58.1 -11.0 121.2 11.9 329 330 A K H > S+ 0 0 149 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.936 114.7 55.2 -58.0 -47.7 -11.8 117.4 11.9 330 331 A A H X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.896 111.9 42.5 -52.9 -47.2 -12.8 117.6 15.6 331 332 A R H X S+ 0 0 96 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.806 110.7 56.9 -72.3 -28.5 -15.4 120.3 14.9 332 333 A E H X S+ 0 0 99 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.944 105.8 50.3 -67.3 -45.7 -16.6 118.6 11.8 333 334 A L H X S+ 0 0 38 -4,-2.8 4,-1.3 1,-0.2 6,-0.2 0.925 112.6 47.2 -56.6 -47.0 -17.4 115.4 13.8 334 335 A G H <>S+ 0 0 0 -4,-1.7 5,-3.1 -5,-0.2 6,-0.8 0.928 111.6 49.3 -60.3 -48.5 -19.3 117.4 16.3 335 336 A E H ><5S+ 0 0 133 -4,-2.4 3,-1.0 4,-0.2 -1,-0.2 0.894 110.6 52.1 -56.8 -44.0 -21.3 119.4 13.7 336 337 A K H 3<5S+ 0 0 158 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.748 114.9 40.0 -66.7 -28.4 -22.2 116.2 11.9 337 338 A Y T 3<5S- 0 0 32 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 -0.016 114.0-106.1-113.4 31.5 -23.5 114.4 15.0 338 339 A G T < 5S+ 0 0 46 -3,-1.0 -3,-0.2 1,-0.1 -4,-0.1 0.774 95.0 105.1 52.9 32.2 -25.4 117.3 16.6 339 340 A L >>< + 0 0 0 -5,-3.1 4,-2.1 -6,-0.2 3,-1.1 0.155 27.8 120.2-126.7 19.1 -22.7 117.6 19.3 340 341 A S H 3> S+ 0 0 48 -6,-0.8 4,-2.8 1,-0.3 5,-0.2 0.792 73.2 60.7 -55.7 -30.5 -20.7 120.8 18.3 341 342 A S H 3> S+ 0 0 75 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.866 107.9 44.9 -65.1 -36.0 -21.6 122.5 21.6 342 343 A V H <> S+ 0 0 0 -3,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.890 112.9 50.3 -74.0 -42.6 -19.8 119.7 23.4 343 344 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.975 114.5 43.5 -59.7 -53.3 -16.8 119.8 21.1 344 345 A G H X S+ 0 0 21 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.848 112.0 52.3 -62.7 -37.2 -16.4 123.5 21.4 345 346 A E H X S+ 0 0 78 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.920 112.2 47.2 -64.5 -42.9 -16.9 123.6 25.1 346 347 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.875 111.6 50.5 -65.5 -37.8 -14.2 120.9 25.5 347 348 A R H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.930 110.2 50.1 -66.2 -44.8 -11.9 122.8 23.1 348 349 A K H X S+ 0 0 141 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.918 112.9 45.1 -59.9 -47.6 -12.3 126.0 25.1 349 350 A R H >< S+ 0 0 42 -4,-2.3 3,-1.1 1,-0.2 4,-0.3 0.932 109.9 56.1 -65.3 -41.8 -11.6 124.3 28.4 350 351 A T H >< S+ 0 0 2 -4,-2.4 3,-1.7 1,-0.3 -65,-0.4 0.879 100.2 57.4 -56.8 -41.7 -8.6 122.5 27.0 351 352 A K H 3< S+ 0 0 91 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.739 94.3 68.9 -64.4 -21.9 -6.8 125.6 25.8 352 353 A T T << S+ 0 0 96 -3,-1.1 2,-1.1 -4,-0.7 -1,-0.3 0.616 78.1 88.0 -73.4 -11.3 -6.8 127.0 29.3 353 354 A Y < + 0 0 58 -3,-1.7 -68,-0.6 -4,-0.3 -66,-0.3 -0.768 43.3 156.5 -91.9 100.3 -4.3 124.4 30.5 354 355 A V + 0 0 43 -2,-1.1 -65,-3.0 -69,-0.1 -64,-0.7 0.364 59.2 61.8-103.5 0.4 -1.0 126.1 29.8 355 356 A K E S-g 290 0E 100 -66,-0.2 2,-0.7 -67,-0.2 -64,-0.2 -0.978 77.7-132.7-128.2 140.9 0.9 124.0 32.3 356 357 A H E +g 291 0E 1 -66,-2.0 -64,-0.7 -2,-0.4 2,-0.3 -0.860 56.8 117.9 -92.7 114.4 1.4 120.3 32.4 357 358 A D S >> S- 0 0 56 -2,-0.7 4,-2.2 -66,-0.2 3,-0.5 -0.945 79.2 -69.8-161.1 179.8 0.6 119.1 36.0 358 359 A F H 3> S+ 0 0 34 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.926 127.0 54.9 -45.0 -55.2 -1.6 117.0 38.2 359 360 A A H 3> S+ 0 0 58 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.873 110.4 45.4 -47.2 -46.8 -4.6 119.3 37.6 360 361 A S H <> S+ 0 0 0 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.903 113.2 45.6 -70.4 -42.7 -4.3 119.0 33.8 361 362 A V H X S+ 0 0 1 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.892 112.0 53.5 -69.0 -34.9 -3.9 115.2 33.5 362 363 A R H X S+ 0 0 28 -4,-2.6 4,-3.3 -5,-0.3 -1,-0.2 0.886 105.9 54.8 -62.9 -37.5 -6.7 114.8 35.9 363 364 A Y H X S+ 0 0 8 -4,-1.5 4,-2.5 -5,-0.3 -2,-0.2 0.936 110.8 44.5 -59.3 -48.4 -8.8 117.0 33.6 364 365 A I H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.944 114.0 49.8 -60.7 -50.9 -8.0 114.7 30.7 365 366 A R H X S+ 0 0 0 -4,-3.1 4,-0.8 1,-0.2 429,-0.3 0.944 111.3 48.9 -55.3 -50.8 -8.7 111.6 32.8 366 367 A D H >< S+ 0 0 7 -4,-3.3 3,-1.3 1,-0.2 4,-0.5 0.938 112.1 48.1 -54.9 -51.0 -12.0 113.0 34.0 367 368 A A H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.3 4,-0.3 0.924 110.7 51.5 -56.5 -46.7 -13.1 113.9 30.5 368 369 A M H 3< S+ 0 0 1 -4,-3.1 427,-0.8 1,-0.3 3,-0.3 0.572 100.3 64.3 -70.4 -7.5 -12.1 110.5 29.2 369 370 A A T << S+ 0 0 2 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.607 90.7 67.5 -88.3 -11.1 -14.1 108.9 31.9 370 371 A C S < S+ 0 0 2 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.654 71.3 109.9 -84.9 -15.8 -17.3 110.3 30.5 371 372 A T S S- 0 0 14 -4,-0.3 -98,-0.1 -3,-0.3 -119,-0.1 -0.299 85.2 -90.5 -61.7 139.6 -17.4 108.3 27.2 372 373 A S - 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0 0 158 -4,-0.3 -1,-0.2 286,-0.0 3,-0.1 -0.836 62.5-144.8-112.6 140.7 -13.5 92.6 1.6 391 392 A S - 0 0 79 -2,-0.4 200,-0.1 1,-0.1 2,-0.1 -0.397 37.1 -87.9 -89.4 168.2 -9.9 91.6 0.8 392 393 A P - 0 0 25 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.479 37.0-118.4 -78.3 152.4 -7.0 94.1 0.9 393 394 A E - 0 0 138 -2,-0.1 2,-1.1 374,-0.1 374,-0.6 -0.809 22.6-158.2 -93.7 105.0 -6.1 96.1 -2.2 394 395 A I - 0 0 28 -2,-0.9 371,-0.2 372,-0.2 372,-0.2 -0.719 9.1-174.4 -82.0 99.5 -2.6 95.1 -3.2 395 396 A K S S+ 0 0 114 369,-2.0 370,-0.2 -2,-1.1 -1,-0.2 0.805 80.7 33.9 -67.5 -29.4 -1.6 98.1 -5.3 396 397 A V S S- 0 0 69 369,-2.0 -1,-0.3 368,-0.2 369,-0.0 -0.698 87.6-164.2-125.7 78.5 1.7 96.6 -6.4 397 398 A P - 0 0 83 0, 0.0 199,-0.1 0, 0.0 369,-0.0 -0.018 31.9 -94.8 -57.1 163.0 1.0 92.8 -6.8 398 399 A I - 0 0 16 197,-0.4 5,-0.1 1,-0.1 -4,-0.0 -0.727 51.2-106.6 -82.2 123.6 3.8 90.2 -6.9 399 400 A P > - 0 0 42 0, 0.0 3,-1.3 0, 0.0 4,-0.1 -0.203 18.3-132.4 -50.8 139.2 4.4 89.6 -10.7 400 401 A Q G > S+ 0 0 184 1,-0.3 3,-1.5 2,-0.2 -2,-0.0 0.869 106.0 59.8 -61.5 -38.4 3.1 86.2 -11.8 401 402 A K G 3 S+ 0 0 144 1,-0.3 -1,-0.3 13,-0.0 16,-0.0 0.565 89.2 73.7 -69.0 -8.2 6.5 85.5 -13.6 402 403 A D G < S+ 0 0 4 -3,-1.3 12,-2.9 11,-0.1 2,-0.4 0.446 82.1 84.0 -86.8 1.4 8.3 85.9 -10.3 403 404 A W E < S-K 413 0I 42 -3,-1.5 10,-0.2 10,-0.2 2,-0.0 -0.827 72.2-137.4-104.1 143.0 7.1 82.5 -9.0 404 405 A T E - 0 0 26 8,-2.2 226,-0.1 -2,-0.4 227,-0.1 -0.147 42.8 -73.2 -82.1-174.8 8.7 79.2 -9.9 405 406 A G E S- 0 0 19 225,-1.4 7,-0.6 224,-0.3 -1,-0.2 -0.303 71.4 -76.6 -71.4 168.4 6.8 76.0 -10.8 406 407 A P E -K 411 0I 29 0, 0.0 223,-3.1 0, 0.0 2,-0.5 -0.315 27.6-159.9 -72.8 147.9 5.0 74.4 -7.9 407 408 A I E > S-KL 410 628I 0 3,-3.2 3,-1.3 221,-0.2 2,-0.8 -0.869 76.4 -59.2-116.8 74.3 6.6 72.2 -5.2 408 409 A G T 3 S- 0 0 28 219,-1.9 220,-0.0 -2,-0.5 240,-0.0 -0.612 122.8 -12.7 85.2-107.6 3.5 70.5 -4.1 409 410 A E T 3 S+ 0 0 46 -2,-0.8 -1,-0.3 -3,-0.1 2,-0.2 0.618 126.2 69.4-101.4 -17.7 1.2 73.3 -3.0 410 411 A I E < -K 407 0I 1 -3,-1.3 -3,-3.2 192,-0.1 2,-0.4 -0.634 60.1-150.1-108.0 164.5 3.8 76.1 -2.9 411 412 A R E -K 406 0I 116 188,-0.3 2,-0.3 -5,-0.2 192,-0.1 -0.979 23.2-123.3-128.2 138.2 5.8 78.2 -5.3 412 413 A I E - 0 0 28 -7,-0.6 -8,-2.2 -2,-0.4 2,-0.7 -0.608 21.9-123.2 -83.9 142.4 9.2 79.7 -4.6 413 414 A L E -K 403 0I 9 -2,-0.3 -10,-0.2 -10,-0.2 -11,-0.1 -0.776 34.0-122.1 -86.2 113.0 9.7 83.4 -5.0 414 415 A K > - 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0 0 37 29,-0.2 29,-0.1 1,-0.1 -1,-0.1 -0.260 31.4-174.0 -67.2 153.3 -13.9 74.9 21.6 460 461 A G - 0 0 1 -4,-0.0 72,-0.2 68,-0.0 -1,-0.1 -0.046 61.7 -85.2-139.4 34.0 -12.0 73.9 18.5 461 462 A S > + 0 0 8 26,-0.1 4,-1.9 70,-0.1 5,-0.2 0.904 64.7 171.1 62.0 44.4 -14.8 73.5 16.0 462 463 A G H > + 0 0 23 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.874 68.0 55.3 -51.1 -48.0 -15.5 69.9 17.1 463 464 A A H > S+ 0 0 58 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.929 110.2 44.6 -53.6 -51.6 -18.7 69.5 15.1 464 465 A A H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.852 110.4 54.2 -64.7 -36.9 -17.1 70.3 11.8 465 466 A L H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.887 108.0 50.5 -65.4 -37.6 -14.0 68.2 12.4 466 467 A R H X S+ 0 0 100 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.799 112.4 48.0 -69.5 -28.0 -16.2 65.2 13.1 467 468 A E H X S+ 0 0 95 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.866 108.2 51.5 -80.6 -38.8 -18.1 65.9 9.8 468 469 A S H < S+ 0 0 23 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.895 116.0 43.4 -64.6 -37.2 -15.0 66.3 7.7 469 470 A L H ><>S+ 0 0 0 -4,-1.7 5,-1.8 -5,-0.2 3,-1.8 0.855 107.7 58.8 -75.9 -35.4 -13.7 63.0 9.0 470 471 A Y H ><5S+ 0 0 161 -4,-1.4 3,-2.1 1,-0.3 -2,-0.2 0.889 95.0 65.9 -59.8 -37.5 -17.1 61.3 8.7 471 472 A A T 3<5S+ 0 0 82 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.525 106.9 41.1 -62.6 -7.0 -17.1 62.1 5.0 472 473 A I T < 5S- 0 0 68 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.154 118.9-104.3-127.7 18.2 -14.1 59.7 4.6 473 474 A N T < 5S+ 0 0 151 -3,-2.1 2,-0.7 1,-0.2 -3,-0.2 0.848 75.9 135.7 62.3 38.8 -15.3 56.9 6.9 474 475 A V < - 0 0 21 -5,-1.8 2,-0.4 -8,-0.1 -1,-0.2 -0.888 35.2-169.6-115.8 94.3 -13.0 57.8 9.8 475 476 A S - 0 0 89 -2,-0.7 3,-0.1 -3,-0.1 -9,-0.0 -0.745 9.7-144.2 -92.2 133.2 -15.1 57.6 12.9 476 477 A L - 0 0 8 -2,-0.4 20,-0.1 1,-0.1 19,-0.1 -0.668 32.4 -89.2 -93.7 148.1 -13.7 58.8 16.2 477 478 A P - 0 0 65 0, 0.0 -1,-0.1 0, 0.0 18,-0.0 -0.213 29.5-153.9 -54.0 141.4 -14.4 57.2 19.6 478 479 A D - 0 0 96 -3,-0.1 3,-0.2 2,-0.0 17,-0.1 0.681 13.2-146.7 -92.8 -20.3 -17.5 58.7 21.2 479 480 A F > - 0 0 15 1,-0.2 3,-1.7 2,-0.1 483,-0.0 0.903 25.3-153.8 52.6 42.0 -16.6 58.0 24.8 480 481 A K T 3 S+ 0 0 187 1,-0.2 -1,-0.2 0, 0.0 478,-0.1 -0.222 70.3 24.1 -51.3 122.7 -20.3 57.4 25.4 481 482 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.471 81.4 136.5 102.3 1.1 -21.1 58.1 29.1 482 483 A L < - 0 0 23 -3,-1.7 2,-2.8 1,-0.1 -1,-0.3 -0.752 54.4-135.0 -90.3 123.2 -18.2 60.5 30.1 483 484 A P + 0 0 78 0, 0.0 2,-0.3 0, 0.0 533,-0.2 -0.114 68.5 112.8 -65.5 43.9 -19.2 63.6 32.2 484 485 A V S S- 0 0 15 -2,-2.8 2,-0.8 531,-0.1 529,-0.3 -0.909 79.6-102.7-122.6 149.7 -17.1 65.9 30.1 485 486 A K - 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0 0 68 0, 0.0 3,-1.4 0, 0.0 4,-0.9 -0.310 29.2-109.6 -68.4 158.9 -2.2 58.4 12.1 501 502 A F H >> S+ 0 0 19 119,-0.4 4,-1.4 1,-0.3 3,-0.7 0.876 116.3 62.8 -53.2 -41.6 -1.7 61.9 10.6 502 503 A S H 34 S+ 0 0 82 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.723 99.4 52.8 -58.7 -26.7 -2.9 60.6 7.2 503 504 A H H <4 S+ 0 0 85 -3,-1.4 -1,-0.2 1,-0.2 3,-0.2 0.779 115.4 37.9 -82.4 -27.9 -6.4 59.7 8.5 504 505 A T H X< S+ 0 0 8 -4,-0.9 3,-2.7 -3,-0.7 4,-0.5 0.545 84.9 102.7 -99.8 -9.4 -7.1 63.1 10.0 505 506 A S G >< S+ 0 0 19 -4,-1.4 3,-2.1 1,-0.3 4,-0.3 0.834 75.4 60.1 -40.3 -47.2 -5.4 65.2 7.2 506 507 A V G > S+ 0 0 54 -4,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.747 90.1 70.2 -58.3 -24.9 -8.8 66.1 5.6 507 508 A A G X S+ 0 0 0 -3,-2.7 3,-1.7 1,-0.3 -1,-0.3 0.752 81.4 75.2 -65.3 -21.5 -9.8 67.8 8.9 508 509 A I G < S+ 0 0 1 -3,-2.1 -1,-0.3 -4,-0.5 -2,-0.2 0.766 100.4 43.0 -61.7 -23.0 -7.3 70.5 8.1 509 510 A L G < S+ 0 0 40 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.351 89.9 121.8-104.5 5.0 -9.7 71.7 5.5 510 511 A A S < S- 0 0 11 -3,-1.7 149,-0.2 -4,-0.2 21,-0.1 -0.255 72.0 -83.8 -68.2 155.4 -12.9 71.4 7.6 511 512 A D - 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T 0 770M 4 148,-1.7 3,-0.5 -2,-0.3 2,-0.3 -0.983 24.4-148.6-116.9 122.2 -2.6 98.5 10.9 586 587 A S E S+ T 0 769M 45 183,-2.2 183,-0.6 -2,-0.5 -2,-0.0 -0.694 76.5 15.0 -92.8 147.7 -6.4 98.3 10.5 587 588 A A S S+ 0 0 54 -2,-0.3 4,-0.5 181,-0.1 -1,-0.2 0.934 77.7 167.1 57.2 48.1 -8.3 95.2 9.3 588 589 A C >> + 0 0 6 -3,-0.5 3,-1.7 1,-0.2 4,-0.9 0.941 67.1 49.8 -59.5 -54.3 -5.1 93.2 9.9 589 590 A D G >4 S+ 0 0 48 1,-0.3 90,-2.4 2,-0.2 3,-0.7 0.887 112.2 49.1 -53.7 -41.9 -6.7 89.7 9.7 590 591 A A G 34 S+ 0 0 15 88,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.571 110.2 54.0 -75.4 -7.3 -8.3 90.6 6.4 591 592 A S G <4 S+ 0 0 6 -3,-1.7 2,-1.1 -4,-0.5 6,-0.3 0.529 88.7 78.0-103.3 -9.9 -5.0 92.0 5.1 592 593 A I S << S+ 0 0 0 -4,-0.9 87,-0.2 -3,-0.7 2,-0.2 -0.766 71.0 144.2-100.3 85.9 -2.9 88.9 5.8 593 594 A T > - 0 0 7 -2,-1.1 5,-2.3 85,-0.1 3,-0.5 -0.612 63.2-101.6-118.5 178.8 -3.9 86.9 2.8 594 595 A W T >S+ 0 0 50 60,-0.3 5,-1.4 4,-0.2 6,-0.2 0.869 106.2 72.3 -69.0 -38.5 -2.4 84.4 0.3 595 596 A D T 5S- 0 0 117 3,-0.1 -197,-0.4 4,-0.1 -1,-0.2 0.790 123.3 -4.3 -48.6 -37.7 -2.0 86.9 -2.6 596 597 A F T >5S+ 0 0 3 -3,-0.5 4,-1.0 170,-0.1 5,-0.2 0.653 137.0 27.4-122.0 -68.9 0.9 88.6 -0.9 597 598 A F H >5S+ 0 0 1 -6,-0.3 4,-3.1 -4,-0.3 3,-0.4 0.988 118.7 42.3 -65.5 -67.4 1.8 87.6 2.6 598 599 A L H >< S+ 0 0 43 -4,-2.1 3,-1.0 2,-0.2 4,-0.4 0.884 113.9 54.1 -90.4 -42.5 12.5 76.2 2.1 608 609 A G H 3< S+ 0 0 3 -4,-3.1 4,-0.3 -5,-0.3 -2,-0.2 0.746 111.0 50.0 -63.5 -21.1 14.4 77.8 5.0 609 610 A V T 3X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.3 0.634 84.9 96.9 -91.5 -16.5 13.5 74.7 7.1 610 611 A A H <> S+ 0 0 31 -3,-1.0 4,-0.7 -4,-0.2 -1,-0.1 0.836 84.9 36.9 -41.7 -61.2 14.6 72.1 4.5 611 612 A S H 4 S+ 0 0 94 -4,-0.4 3,-0.4 1,-0.2 -1,-0.2 0.892 115.8 50.2 -68.0 -41.3 18.2 71.2 5.7 612 613 A S H 4 S+ 0 0 31 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.845 120.6 35.6 -67.6 -35.2 17.7 71.3 9.4 613 614 A S H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 29,-0.3 0.430 82.5 139.3 -98.3 -0.3 14.5 69.1 9.3 614 615 A I T 3< S+ 0 0 118 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.1 0.531 75.1 9.1 -10.4 -68.5 15.8 66.9 6.4 615 616 A G T 3 S+ 0 0 58 -3,-0.2 -1,-0.2 -4,-0.2 26,-0.1 -0.347 104.9 91.8-128.3 60.4 14.8 63.4 7.4 616 617 A K < - 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0 0 2 -4,-1.5 92,-3.6 -5,-0.8 -3,-0.1 0.101 23.8 -69.4 98.6 147.9 8.4 104.4 43.4 1089 1097 A P B -G 1179 0V 24 0, 0.0 2,-0.9 0, 0.0 90,-0.3 -0.336 48.1-105.8 -72.4 154.3 6.9 103.2 40.1 1090 1098 A M - 0 0 17 88,-2.3 4,-0.1 1,-0.1 90,-0.1 -0.702 36.9-171.4 -76.7 108.6 7.7 99.8 38.6 1091 1099 A L + 0 0 33 -2,-0.9 -784,-2.3 -784,-0.1 2,-0.3 0.206 55.6 69.2 -94.1 19.9 10.1 100.8 35.8 1092 1100 A Q B S-I 306 0G 33 -786,-0.2 -786,-0.2 -524,-0.0 -787,-0.1 -0.981 93.3 -92.4-136.0 148.8 10.4 97.4 34.1 1093 1101 A S > - 0 0 7 -788,-1.4 4,-1.9 -789,-0.4 3,-0.1 -0.369 33.1-141.3 -54.8 126.4 8.1 95.2 32.1 1094 1102 A T H > S+ 0 0 17 -531,-0.5 4,-2.2 1,-0.2 5,-0.2 0.743 99.8 58.2 -65.0 -22.8 6.6 92.8 34.7 1095 1103 A R H > S+ 0 0 134 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.923 109.1 43.1 -72.8 -43.4 6.8 89.9 32.2 1096 1104 A K H 4 S+ 0 0 64 2,-0.2 4,-0.2 1,-0.2 -2,-0.2 0.825 114.8 51.7 -71.1 -32.0 10.6 90.4 31.9 1097 1105 A Y H >< S+ 0 0 21 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.985 114.7 39.1 -67.5 -58.5 11.0 90.8 35.6 1098 1106 A F H >< S+ 0 0 42 -4,-2.2 3,-1.9 1,-0.3 -2,-0.2 0.710 102.1 71.1 -66.0 -20.7 9.1 87.7 36.6 1099 1107 A A T 3< S+ 0 0 52 -4,-1.5 3,-0.5 1,-0.3 -1,-0.3 0.654 94.4 59.9 -69.3 -10.6 10.5 85.7 33.8 1100 1108 A Q T < S+ 0 0 146 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.359 91.6 67.8 -96.2 4.4 13.7 85.9 35.9 1101 1109 A T S < S+ 0 0 0 -3,-1.9 2,-0.4 61,-0.1 -1,-0.2 0.136 90.5 71.5-109.2 20.1 12.1 84.2 38.9 1102 1110 A L - 0 0 37 -3,-0.5 3,-0.2 1,-0.1 12,-0.1 -0.990 64.8-147.0-136.5 143.8 11.8 80.7 37.3 1103 1111 A F S S+ 0 0 31 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.854 97.2 32.9 -75.2 -31.3 14.3 78.1 36.4 1104 1112 A M - 0 0 37 9,-0.2 -1,-0.3 1,-0.1 13,-0.1 -0.983 66.1-158.3-130.7 121.9 12.1 77.1 33.4 1105 1113 A A S S+ 0 0 86 -2,-0.4 2,-0.3 -3,-0.2 8,-0.1 0.908 74.3 11.3 -61.7 -49.3 9.9 79.5 31.4 1106 1114 A K + 0 0 83 7,-0.1 2,-0.3 6,-0.1 -1,-0.1 -0.850 57.1 168.1-133.5 169.1 7.5 77.0 30.0 1107 1115 A T - 0 0 15 -2,-0.3 6,-0.1 4,-0.2 3,-0.1 -0.880 53.5 -38.4-157.6-172.9 6.2 73.4 30.2 1108 1116 A V > - 0 0 0 -2,-0.3 3,-2.1 32,-0.3 2,-0.4 -0.327 67.1-105.6 -59.9 137.8 3.4 71.2 29.0 1109 1117 A S T 3 S+ 0 0 44 -660,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.540 111.8 48.8 -64.6 122.0 0.1 73.0 29.0 1110 1118 A G T 3 S+ 0 0 30 1,-0.6 2,-0.3 -2,-0.4 -1,-0.3 0.135 97.1 79.0 129.8 -19.4 -1.6 71.4 32.0 1111 1119 A L S < S- 0 0 25 -3,-2.1 -1,-0.6 -112,-0.1 2,-0.6 -0.838 78.5-120.3-115.7 157.7 1.3 71.8 34.5 1112 1120 A D >> - 0 0 87 -2,-0.3 4,-2.5 1,-0.2 3,-0.7 -0.879 6.9-155.1-104.5 118.2 2.2 75.0 36.4 1113 1121 A V H 3> S+ 0 0 24 -2,-0.6 4,-2.5 1,-0.3 -9,-0.2 0.870 101.0 52.4 -54.8 -37.8 5.7 76.4 35.8 1114 1122 A N H 3> S+ 0 0 65 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.796 107.9 52.1 -69.5 -28.0 5.4 78.0 39.3 1115 1123 A A H <> S+ 0 0 39 -3,-0.7 4,-2.6 2,-0.2 -2,-0.2 0.921 110.6 45.9 -73.1 -44.1 4.5 74.7 40.8 1116 1124 A I H X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.922 112.4 51.1 -63.4 -42.6 7.5 73.0 39.3 1117 1125 A D H X S+ 0 0 4 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.860 111.8 49.1 -63.4 -32.6 9.7 75.8 40.4 1118 1126 A S H X S+ 0 0 6 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.894 108.5 51.4 -73.2 -40.8 8.1 75.4 43.9 1119 1127 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.922 111.8 47.4 -62.3 -44.4 8.7 71.6 44.0 1120 1128 A L H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.924 114.4 45.5 -62.8 -47.3 12.4 72.0 43.0 1121 1129 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.870 112.1 52.1 -67.3 -34.7 13.0 74.7 45.6 1122 1130 A R H X S+ 0 0 8 -4,-2.5 4,-3.5 2,-0.2 6,-0.2 0.927 107.2 51.5 -68.5 -41.9 11.2 72.9 48.3 1123 1131 A L H <>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 -1,-0.2 0.923 112.2 48.4 -58.9 -42.7 13.2 69.7 47.7 1124 1132 A R H ><5S+ 0 0 52 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.929 114.1 44.7 -62.6 -46.4 16.3 71.8 48.0 1125 1133 A T H 3<5S+ 0 0 15 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.905 108.0 58.3 -64.2 -41.9 15.1 73.5 51.2 1126 1134 A L T 3<5S- 0 0 19 -4,-3.5 -1,-0.3 -5,-0.2 -2,-0.2 0.332 121.1-108.0 -72.9 10.9 13.9 70.2 52.7 1127 1135 A G T < 5 + 0 0 64 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.506 63.1 159.1 77.8 4.8 17.5 68.9 52.4 1128 1136 A A < - 0 0 9 -5,-2.4 -1,-0.2 -6,-0.2 2,-0.1 -0.159 43.5-101.9 -59.0 157.7 16.8 66.5 49.5 1129 1137 A D >> - 0 0 77 -139,-0.4 3,-2.5 1,-0.1 4,-1.0 -0.452 26.2-108.2 -82.8 155.1 19.8 65.5 47.4 1130 1138 A K H >> S+ 0 0 71 1,-0.3 4,-2.2 2,-0.2 3,-0.9 0.896 118.9 60.2 -44.3 -49.9 20.7 66.9 43.9 1131 1139 A K H 3> S+ 0 0 90 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.729 98.2 60.6 -56.0 -22.1 19.6 63.6 42.3 1132 1140 A A H <> S+ 0 0 0 -3,-2.5 4,-2.2 2,-0.2 -1,-0.3 0.915 105.2 45.1 -72.3 -43.5 16.1 64.2 43.7 1133 1141 A L H S+ 0 0 0 -4,-2.3 5,-1.9 1,-0.2 3,-0.2 0.759 109.1 53.1 -70.6 -26.4 13.1 67.4 36.2 1138 1146 A L H ><5S+ 0 0 2 -4,-1.4 3,-1.7 1,-0.2 -155,-0.2 0.869 102.9 58.3 -75.4 -36.9 13.0 64.0 34.4 1139 1147 A M T 3<5S+ 0 0 11 -4,-2.0 -138,-2.5 1,-0.3 -137,-0.3 0.673 103.4 54.2 -67.0 -14.8 9.4 63.6 35.4 1140 1148 A V T 3 5S- 0 0 0 -4,-0.5 -1,-0.3 -3,-0.2 -32,-0.3 0.185 130.0 -87.7-104.5 18.9 8.5 66.8 33.6 1141 1149 A G T < 5S+ 0 0 0 -3,-1.7 -696,-0.3 1,-0.3 -3,-0.2 0.241 78.6 139.8 102.9 -15.4 10.0 65.8 30.3 1142 1150 A L < - 0 0 6 -5,-1.9 -1,-0.3 1,-0.1 2,-0.2 -0.203 53.8-112.0 -66.6 155.9 13.7 66.8 30.5 1143 1151 A Q > - 0 0 71 1,-0.1 4,-3.4 4,-0.0 3,-0.3 -0.584 29.9-113.8 -83.1 145.7 16.6 64.8 29.2 1144 1152 A E H > S+ 0 0 93 1,-0.2 4,-3.0 -2,-0.2 5,-0.3 0.876 115.8 53.8 -48.2 -46.7 19.0 63.3 31.9 1145 1153 A S H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.931 115.4 39.5 -55.0 -49.3 21.9 65.5 30.8 1146 1154 A E H > S+ 0 0 94 -3,-0.3 4,-3.4 2,-0.2 5,-0.4 0.923 114.5 54.4 -66.7 -45.6 19.8 68.7 31.1 1147 1155 A A H X S+ 0 0 0 -4,-3.4 4,-3.4 1,-0.2 5,-0.3 0.963 110.2 44.6 -50.7 -62.2 18.1 67.4 34.3 1148 1156 A D H X S+ 0 0 77 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.827 116.3 49.1 -53.8 -36.4 21.4 66.8 36.1 1149 1157 A A H X S+ 0 0 58 -4,-1.6 4,-1.9 -5,-0.3 -2,-0.2 0.978 115.0 39.8 -71.9 -56.1 22.7 70.1 34.9 1150 1158 A L H X S+ 0 0 26 -4,-3.4 4,-2.9 1,-0.2 5,-0.2 0.941 117.3 51.9 -58.7 -44.1 19.8 72.3 35.8 1151 1159 A A H X S+ 0 0 0 -4,-3.4 4,-2.1 -5,-0.4 -1,-0.2 0.910 111.1 46.7 -57.3 -44.1 19.4 70.4 39.1 1152 1160 A G H X S+ 0 0 16 -4,-2.0 4,-0.6 -5,-0.3 -1,-0.2 0.787 112.4 51.4 -68.9 -27.2 23.1 70.9 39.9 1153 1161 A K H >X S+ 0 0 123 -4,-1.9 4,-1.0 2,-0.2 3,-0.6 0.892 108.0 51.3 -75.0 -40.8 22.7 74.5 39.0 1154 1162 A I H >< S+ 0 0 0 -4,-2.9 3,-0.6 1,-0.2 -2,-0.2 0.894 102.1 61.2 -63.4 -40.5 19.8 74.9 41.3 1155 1163 A M H 3< S+ 0 0 61 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.788 114.6 34.3 -58.4 -27.9 21.7 73.3 44.2 1156 1164 A L H << S+ 0 0 155 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.2 0.525 93.9 113.9-106.4 -6.3 24.2 76.1 44.1 1157 1165 A Q << - 0 0 65 -4,-1.0 2,-1.1 -3,-0.6 -3,-0.0 -0.398 63.5-132.4 -77.4 143.8 22.1 79.1 43.1 1158 1166 A D - 0 0 162 -2,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.802 31.4-148.1 -88.5 98.1 21.3 82.2 45.2 1159 1167 A V - 0 0 19 -2,-1.1 -58,-0.1 -5,-0.1 53,-0.1 -0.545 12.1-123.3 -75.9 129.9 17.6 82.4 44.7 1160 1168 A N > - 0 0 52 -2,-0.3 4,-2.4 1,-0.1 5,-0.3 -0.250 30.4 -97.0 -70.1 160.5 16.1 85.9 44.7 1161 1169 A T H > S+ 0 0 17 1,-0.2 4,-1.9 2,-0.2 55,-0.1 0.835 118.5 44.8 -43.2 -54.3 13.4 87.0 47.1 1162 1170 A V H 4 S+ 0 0 5 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.913 114.8 46.1 -62.9 -46.8 10.4 86.6 44.8 1163 1171 A Q H >4 S+ 0 0 7 1,-0.2 3,-0.9 2,-0.2 -2,-0.2 0.915 115.8 44.4 -66.4 -41.1 11.4 83.2 43.4 1164 1172 A L H >< S+ 0 0 11 -4,-2.4 3,-2.4 1,-0.2 4,-0.2 0.840 99.1 71.6 -72.3 -32.6 12.3 81.6 46.7 1165 1173 A A G ><>S+ 0 0 0 -4,-1.9 5,-1.8 -5,-0.3 3,-1.4 0.683 80.4 77.4 -57.0 -18.2 9.2 83.0 48.4 1166 1174 A R G X 5 + 0 0 31 -3,-0.9 3,-2.2 -4,-0.5 -1,-0.3 0.679 69.8 83.6 -67.7 -15.3 7.2 80.5 46.4 1167 1175 A V G < 5S+ 0 0 0 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.798 105.1 30.8 -57.9 -25.5 8.3 77.7 48.7 1168 1176 A V G < 5S- 0 0 1 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 -0.034 123.3-101.7-121.7 29.7 5.4 78.9 50.9 1169 1177 A N T < 5 + 0 0 105 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.781 66.2 155.1 57.2 34.2 3.1 80.1 48.2 1170 1178 A L < - 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