==== 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 HYDROLASE 01-DEC-04 1WU4 . COMPND 2 MOLECULE: XYLANASE Y; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR S.FUSHINOBU,M.HIDAKA,Y.HONDA,T.WAKAGI,H.SHOUN,M.KITAOKA . 374 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15027.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 14 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 40.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 2 0 0 0 0 1 2 0 0 1 4 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 6 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 6 A E 0 0 186 0, 0.0 272,-0.3 0, 0.0 271,-0.1 0.000 360.0 360.0 360.0 149.2 22.0 62.5 32.0 2 7 A G >> - 0 0 2 270,-0.3 4,-2.0 1,-0.1 3,-1.5 -0.186 360.0-107.6 -73.5 165.0 25.7 62.3 31.2 3 8 A A H 3> S+ 0 0 1 267,-3.0 4,-2.6 1,-0.3 268,-0.2 0.738 113.7 73.9 -61.6 -24.9 28.7 62.6 33.5 4 9 A F H 34 S+ 0 0 35 267,-2.8 -1,-0.3 266,-0.2 268,-0.1 0.865 110.7 29.8 -56.3 -34.7 29.5 66.0 32.0 5 10 A Y H <4 S+ 0 0 135 -3,-1.5 -2,-0.2 266,-0.4 -1,-0.2 0.885 128.6 36.8 -91.5 -48.2 26.5 67.2 34.1 6 11 A T H < S- 0 0 52 -4,-2.0 -3,-0.2 2,-0.2 -2,-0.2 0.735 88.1-142.4 -78.9 -24.9 26.4 64.9 37.1 7 12 A R < + 0 0 135 -4,-2.6 2,-0.4 -5,-0.3 -4,-0.1 0.685 66.8 114.8 66.9 18.2 30.2 64.7 37.5 8 13 A E - 0 0 154 -6,-0.1 2,-0.4 -5,-0.0 -1,-0.2 -0.985 56.4-149.5-121.3 127.3 29.7 61.0 38.4 9 14 A Y - 0 0 41 -2,-0.4 2,-0.2 359,-0.2 362,-0.1 -0.824 18.8-116.9-102.9 134.3 31.0 58.3 36.1 10 15 A R - 0 0 87 -2,-0.4 2,-1.0 260,-0.1 358,-0.3 -0.466 13.2-153.5 -70.6 130.4 29.4 54.9 35.8 11 16 A N > + 0 0 38 -2,-0.2 4,-2.2 1,-0.2 356,-0.2 -0.827 18.4 178.4-101.6 88.1 31.5 51.9 36.9 12 17 A L H > S+ 0 0 0 -2,-1.0 4,-1.7 354,-0.6 6,-0.2 0.842 75.9 59.5 -64.4 -33.7 29.8 49.4 34.7 13 18 A F H 4>S+ 0 0 0 353,-2.1 5,-2.3 1,-0.2 3,-0.2 0.949 109.4 44.6 -57.8 -47.2 32.1 46.6 35.8 14 19 A K H >45S+ 0 0 124 352,-0.3 3,-1.8 1,-0.2 -2,-0.2 0.907 110.5 52.8 -63.7 -43.4 30.8 47.2 39.4 15 20 A E H 3<5S+ 0 0 105 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.780 107.7 54.5 -64.5 -24.6 27.2 47.4 38.3 16 21 A F T 3<5S- 0 0 34 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.226 130.7 -88.4 -93.8 13.0 27.6 44.1 36.5 17 22 A G T < 5S+ 0 0 68 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.307 81.3 132.8 105.3 -12.2 28.9 42.3 39.6 18 23 A Y < - 0 0 40 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.1 -0.508 58.2-112.6 -75.6 142.9 32.6 42.7 39.7 19 24 A S > - 0 0 61 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.445 15.0-123.7 -77.0 149.6 34.1 43.8 43.1 20 25 A E H > S+ 0 0 146 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.892 111.4 53.2 -56.3 -42.5 35.6 47.2 43.6 21 26 A A H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.923 110.9 44.1 -61.1 -47.3 38.9 45.6 44.7 22 27 A E H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.846 113.3 52.1 -68.5 -32.7 39.3 43.4 41.7 23 28 A I H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.945 110.2 48.1 -67.2 -47.7 38.3 46.2 39.3 24 29 A Q H X S+ 0 0 140 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.924 114.2 47.5 -57.1 -45.6 41.0 48.5 40.9 25 30 A E H X S+ 0 0 91 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.905 112.0 49.1 -62.7 -43.7 43.5 45.8 40.6 26 31 A R H X S+ 0 0 45 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.890 110.9 49.1 -65.9 -41.5 42.7 45.0 37.0 27 32 A V H X S+ 0 0 10 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.946 114.3 45.7 -63.9 -47.7 42.8 48.6 35.9 28 33 A K H X S+ 0 0 117 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.919 112.2 51.2 -61.8 -44.2 46.2 49.1 37.6 29 34 A D H X S+ 0 0 68 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.893 109.0 51.1 -61.4 -40.0 47.6 45.8 36.2 30 35 A T H X S+ 0 0 2 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.944 111.8 47.4 -62.2 -47.2 46.5 46.8 32.6 31 36 A W H X S+ 0 0 8 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.932 112.0 50.2 -58.6 -48.2 48.2 50.1 33.0 32 37 A E H X S+ 0 0 80 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.852 106.1 54.7 -61.4 -37.6 51.4 48.5 34.4 33 38 A Q H < S+ 0 0 99 -4,-2.2 -1,-0.2 -5,-0.2 5,-0.2 0.874 118.1 36.1 -64.7 -34.3 51.6 45.9 31.6 34 39 A L H < S+ 0 0 1 -4,-1.5 8,-2.2 -3,-0.3 9,-1.9 0.836 131.8 25.8 -86.9 -36.8 51.5 48.7 29.0 35 40 A F H < S+ 0 0 15 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.425 101.9 94.0-109.7 -1.2 53.5 51.5 30.7 36 41 A G S < S- 0 0 12 -4,-2.0 2,-1.3 -5,-0.3 7,-0.2 -0.214 90.4 -92.2 -83.5 179.5 55.7 49.5 33.0 37 42 A D S S+ 0 0 151 7,-0.0 -1,-0.1 1,-0.0 -4,-0.1 -0.543 81.5 117.4 -94.5 70.7 59.3 48.2 32.4 38 43 A N 0 0 106 -2,-1.3 -2,-0.1 -5,-0.2 -1,-0.0 -0.813 360.0 360.0-140.7 99.4 58.5 44.8 31.0 39 44 A P 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.872 360.0 360.0 -70.6 360.0 59.5 43.9 27.3 40 ! 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 41 47 A K 0 0 45 0, 0.0 -7,-0.2 0, 0.0 -6,-0.2 0.000 360.0 360.0 360.0 126.0 54.4 47.0 27.0 42 48 A I + 0 0 0 -8,-2.2 12,-2.6 310,-0.1 2,-0.5 0.461 360.0 85.1-125.3 -8.6 54.0 49.8 24.5 43 49 A Y E -A 53 0A 7 -9,-1.9 2,-0.4 10,-0.2 10,-0.2 -0.865 55.1-169.7-102.9 130.1 55.5 52.8 26.2 44 50 A Y E -A 52 0A 48 8,-3.1 8,-2.3 -2,-0.5 2,-0.4 -0.969 11.5-144.8-123.6 130.6 59.3 53.5 26.0 45 51 A E E -A 51 0A 104 -2,-0.4 2,-0.4 6,-0.2 6,-0.3 -0.750 12.4-167.7 -95.1 137.0 61.2 56.0 28.0 46 52 A V E >> -A 50 0A 56 4,-2.2 4,-1.7 -2,-0.4 3,-0.8 -0.985 55.1 -40.0-127.0 122.7 64.2 57.8 26.4 47 53 A G T 34 S- 0 0 63 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.284 98.4 -56.4 61.3-147.5 66.6 59.9 28.5 48 54 A D T 34 S+ 0 0 153 1,-0.1 -1,-0.2 -3,-0.1 3,-0.0 0.317 134.0 30.8-112.9 7.4 65.0 61.9 31.3 49 55 A D T <4 S+ 0 0 96 -3,-0.8 2,-0.3 35,-0.1 -2,-0.2 0.299 104.3 74.3-145.9 8.9 62.5 64.0 29.2 50 56 A L E < +A 46 0A 28 -4,-1.7 -4,-2.2 37,-0.1 2,-0.3 -0.858 42.7 148.9-126.5 161.8 61.5 61.9 26.3 51 57 A G E -A 45 0A 0 33,-1.2 2,-0.3 -2,-0.3 37,-0.3 -0.933 13.9-170.2-179.1 159.5 59.2 58.9 25.6 52 58 A Y E -A 44 0A 33 -8,-2.3 -8,-3.1 -2,-0.3 2,-0.5 -0.991 27.3-115.8-159.0 161.4 57.0 57.3 23.0 53 59 A L E -A 43 0A 0 -2,-0.3 2,-0.5 -10,-0.2 9,-0.4 -0.912 35.7-144.0-101.8 129.0 54.4 54.6 22.3 54 60 A L - 0 0 22 -12,-2.6 2,-2.0 -2,-0.5 7,-0.2 -0.818 13.6-136.1 -99.8 129.2 55.7 52.2 19.8 55 61 A D B >> -B 60 0B 11 5,-3.2 4,-1.5 -2,-0.5 5,-1.0 -0.684 28.5-163.4 -77.6 90.8 53.5 50.6 17.2 56 62 A T T 45S+ 0 0 11 -2,-2.0 -1,-0.2 1,-0.2 295,-0.1 0.775 80.2 50.3 -50.1 -32.3 55.2 47.3 18.0 57 63 A G T 45S+ 0 0 14 1,-0.2 -1,-0.2 -3,-0.1 294,-0.1 0.878 118.4 33.1 -78.3 -38.9 53.9 45.7 14.8 58 64 A N T 45S- 0 0 88 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.410 100.7-128.8 -97.4 0.9 55.0 48.4 12.3 59 65 A L T <5S+ 0 0 115 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.875 71.5 102.0 53.1 43.4 58.1 49.4 14.2 60 66 A D B -C 107 0C 49 -2,-0.5 4,-2.6 -9,-0.4 45,-0.2 -0.827 31.7-128.0-114.0 150.0 52.3 57.2 15.2 63 69 A T H > S+ 0 0 1 43,-1.8 4,-2.7 -2,-0.3 5,-0.3 0.824 112.0 61.8 -61.9 -28.3 50.4 60.3 16.2 64 70 A E H > S+ 0 0 24 42,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.956 110.5 38.8 -59.3 -49.6 47.5 57.9 16.9 65 71 A G H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.876 115.9 50.2 -69.9 -40.1 49.6 56.2 19.6 66 72 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.927 113.7 45.4 -65.6 -43.8 51.3 59.3 20.9 67 73 A S H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.890 113.7 50.1 -66.9 -37.6 48.0 61.1 21.3 68 74 A Y H X S+ 0 0 4 -4,-2.0 4,-2.9 -5,-0.3 -2,-0.2 0.933 109.7 52.0 -62.7 -45.9 46.4 58.0 22.9 69 75 A G H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.881 109.0 49.0 -58.2 -41.9 49.4 57.8 25.3 70 76 A M H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.916 111.8 49.1 -65.6 -41.9 49.0 61.4 26.3 71 77 A M H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.928 113.0 47.6 -63.2 -43.3 45.2 60.8 26.9 72 78 A M H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.933 111.7 51.0 -61.8 -46.4 46.0 57.7 29.0 73 79 A A H <>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 4,-0.2 0.900 110.8 46.3 -60.4 -44.0 48.7 59.5 31.0 74 80 A V H ><5S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.886 110.8 53.1 -69.5 -34.3 46.5 62.5 31.9 75 81 A Q H 3<5S+ 0 0 13 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.853 113.0 45.4 -65.2 -31.9 43.6 60.1 32.9 76 82 A M T 3<5S- 0 0 56 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.368 114.4-118.8 -91.4 3.3 46.1 58.3 35.1 77 83 A D T < 5 + 0 0 85 -3,-1.1 2,-0.5 -4,-0.2 -3,-0.2 0.927 65.5 142.7 58.4 48.0 47.5 61.6 36.6 78 84 A R >< + 0 0 82 -5,-2.7 4,-2.4 1,-0.1 3,-0.2 -0.735 17.2 167.4-120.9 81.0 51.0 60.9 35.3 79 85 A K H > S+ 0 0 77 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.811 75.4 61.8 -62.6 -32.4 52.4 64.3 34.2 80 86 A D H > S+ 0 0 72 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.934 110.3 38.8 -61.6 -45.3 55.9 62.8 33.9 81 87 A I H > S+ 0 0 3 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.916 114.6 54.5 -70.5 -43.5 54.8 60.3 31.2 82 88 A F H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.939 111.0 45.1 -54.2 -51.9 52.5 62.9 29.5 83 89 A D H X S+ 0 0 26 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.850 109.4 55.0 -63.6 -37.5 55.4 65.4 29.2 84 90 A R H X S+ 0 0 25 -4,-1.6 4,-1.8 -5,-0.2 -33,-1.2 0.931 114.0 41.6 -62.1 -44.1 57.8 62.8 27.9 85 91 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 -35,-0.2 -2,-0.2 0.928 115.9 47.6 -69.1 -47.1 55.4 61.8 25.1 86 92 A W H X S+ 0 0 2 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.886 111.0 52.9 -62.8 -38.3 54.4 65.4 24.2 87 93 A N H X S+ 0 0 19 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.931 110.5 46.3 -63.2 -44.8 58.0 66.5 24.2 88 94 A W H X>S+ 0 0 8 -4,-1.8 4,-2.8 -37,-0.3 5,-0.5 0.912 112.4 52.8 -62.5 -42.5 58.9 63.7 21.7 89 95 A T H X>S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-1.7 0.927 112.4 42.1 -58.9 -50.1 55.9 64.6 19.7 90 96 A M H <5S+ 0 0 41 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.862 117.5 48.2 -67.6 -35.3 56.7 68.3 19.4 91 97 A K H <5S+ 0 0 120 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.916 129.8 15.3 -72.3 -43.9 60.4 67.6 18.8 92 98 A N H <5S+ 0 0 31 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.700 130.8 36.9-107.0 -23.5 60.1 64.9 16.1 93 99 A M T < S- 0 0 46 -2,-0.3 3,-1.7 1,-0.2 70,-0.1 -0.161 100.2 -53.9 88.6 175.5 55.5 71.8 3.8 99 105 A V T 3 S+ 0 0 64 1,-0.3 70,-0.3 68,-0.1 -1,-0.2 0.722 136.1 51.4 -63.9 -21.8 51.8 72.0 3.0 100 106 A H T > S+ 0 0 11 -3,-0.3 3,-2.2 17,-0.2 -5,-0.3 0.089 74.2 146.7-104.4 23.4 51.0 70.4 6.3 101 107 A A T < + 0 0 36 -3,-1.7 -5,-0.2 1,-0.3 3,-0.1 -0.360 66.6 37.9 -57.6 134.8 53.0 72.8 8.5 102 108 A G T 3 S+ 0 0 8 -7,-2.9 -1,-0.3 1,-0.5 2,-0.2 0.229 105.5 84.5 104.2 -14.3 51.2 73.1 11.8 103 109 A Y S < S- 0 0 0 -3,-2.2 -8,-2.7 -8,-0.2 -1,-0.5 -0.564 82.2-102.8-110.7 178.5 50.2 69.5 11.9 104 110 A F B -E 94 0D 5 -10,-0.2 16,-0.5 -2,-0.2 -10,-0.2 -0.906 30.8-112.6-111.9 129.4 52.0 66.4 13.1 105 111 A A - 0 0 0 -12,-3.0 12,-0.1 -2,-0.5 -42,-0.1 -0.364 28.0-140.3 -55.7 126.2 53.7 63.8 10.8 106 112 A W S S+ 0 0 90 12,-2.7 -43,-1.8 1,-0.2 2,-0.4 0.790 79.5 31.9 -65.0 -30.8 51.6 60.7 11.3 107 113 A S E +C 62 0C 4 11,-0.3 8,-3.0 -45,-0.2 9,-0.7 -0.991 63.5 170.4-136.2 128.9 54.4 58.2 11.3 108 114 A C E -CD 61 114C 0 -47,-2.7 -47,-3.3 -2,-0.4 6,-0.2 -0.913 34.1-112.0-130.2 157.2 58.0 58.5 12.6 109 115 A Q > - 0 0 75 4,-3.0 3,-2.5 -2,-0.3 -49,-0.2 -0.444 42.0-100.9 -81.3 162.3 60.8 56.0 13.1 110 116 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 -50,-0.1 0.782 123.8 58.9 -56.1 -25.9 61.9 55.3 16.7 111 117 A D T 3 S- 0 0 121 2,-0.1 -2,-0.0 1,-0.0 0, 0.0 0.478 124.5-102.1 -82.9 -0.4 64.9 57.7 16.2 112 118 A G S < S+ 0 0 6 -3,-2.5 2,-0.1 1,-0.3 -1,-0.0 0.185 73.0 143.4 103.8 -17.2 62.5 60.5 15.3 113 119 A T - 0 0 82 -5,-0.1 -4,-3.0 1,-0.1 2,-0.3 -0.336 52.9-119.5 -60.7 132.7 62.9 60.6 11.5 114 120 A K B -D 108 0C 70 -6,-0.2 -6,-0.3 1,-0.1 3,-0.1 -0.582 20.0-167.0 -77.0 131.4 59.6 61.4 9.8 115 121 A N S S+ 0 0 78 -8,-3.0 2,-0.3 -2,-0.3 -7,-0.2 0.565 77.6 6.7 -90.5 -11.2 58.3 58.6 7.5 116 122 A S - 0 0 42 -9,-0.7 -1,-0.2 2,-0.1 -9,-0.2 -0.974 56.2-139.2-162.4 159.6 55.8 61.0 6.0 117 123 A W S S+ 0 0 122 -2,-0.3 -17,-0.2 -12,-0.1 -14,-0.1 0.114 76.4 101.7-111.1 17.1 54.8 64.7 6.1 118 124 A G - 0 0 16 -11,-0.1 -12,-2.7 -19,-0.0 -11,-0.3 -0.822 63.7-139.9-102.1 142.4 51.1 63.9 6.1 119 125 A P - 0 0 5 0, 0.0 -14,-0.1 0, 0.0 -2,-0.1 -0.449 6.2-133.4 -96.7 171.0 49.1 64.0 9.3 120 126 A A >> - 0 0 12 -16,-0.5 3,-2.4 -2,-0.1 4,-1.1 -0.944 13.5-149.2-126.0 105.2 46.3 61.8 10.7 121 127 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.736 93.7 63.3 -45.3 -34.3 43.3 63.8 12.0 122 128 A D H 3> S+ 0 0 8 59,-0.2 4,-1.2 1,-0.2 5,-0.1 0.794 102.7 52.0 -67.1 -23.0 42.4 61.4 14.8 123 129 A G H <> S+ 0 0 0 -3,-2.4 4,-2.8 2,-0.2 3,-0.3 0.957 107.5 50.8 -73.4 -51.2 45.8 62.1 16.3 124 130 A E H X S+ 0 0 0 -4,-1.1 4,-2.5 1,-0.2 -2,-0.2 0.895 109.3 50.1 -53.2 -45.6 45.3 65.8 16.3 125 131 A E H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.876 112.4 46.6 -66.5 -34.1 41.9 65.7 18.0 126 132 A Y H X S+ 0 0 16 -4,-1.2 4,-2.7 -3,-0.3 5,-0.3 0.895 110.7 53.5 -72.3 -38.3 43.2 63.4 20.8 127 133 A F H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.955 109.4 49.9 -57.5 -49.6 46.3 65.7 21.2 128 134 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.926 114.4 40.9 -57.3 -50.5 44.0 68.7 21.6 129 135 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.916 114.2 52.7 -68.0 -39.5 41.7 67.2 24.2 130 136 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.900 110.1 49.9 -60.4 -40.2 44.6 65.5 26.1 131 137 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.886 109.3 50.2 -66.3 -39.9 46.3 68.9 26.3 132 138 A F H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.934 112.3 48.2 -63.5 -43.7 43.1 70.6 27.6 133 139 A F H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.904 110.3 51.6 -62.3 -40.5 42.9 67.9 30.3 134 140 A A H X>S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.7 0.925 109.5 50.0 -61.7 -45.1 46.6 68.4 31.1 135 141 A S H X5S+ 0 0 19 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.918 113.0 47.1 -58.8 -43.8 46.1 72.1 31.5 136 142 A H H <5S+ 0 0 40 -4,-2.3 -2,-0.2 237,-0.2 -1,-0.2 0.850 118.6 38.6 -69.6 -35.6 43.1 71.6 33.8 137 143 A R H <5S+ 0 0 73 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.888 136.5 13.6 -82.3 -40.2 44.7 68.9 36.0 138 144 A W H <5S- 0 0 55 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.574 101.2-118.5-114.3 -13.5 48.2 70.4 36.2 139 145 A G << - 0 0 34 -4,-1.7 9,-0.2 -5,-0.7 2,-0.1 0.183 44.8 -58.6 85.6 149.7 48.1 74.0 35.0 140 146 A D - 0 0 55 -5,-0.1 7,-0.3 7,-0.1 2,-0.1 -0.412 56.5-124.1 -66.7 135.4 49.9 75.4 32.0 141 147 A G - 0 0 22 5,-3.1 -1,-0.1 -2,-0.1 -2,-0.0 -0.419 8.3-130.6 -78.6 156.2 53.7 75.2 32.1 142 148 A D S S+ 0 0 167 -2,-0.1 2,-0.4 2,-0.1 5,-0.1 0.935 89.7 58.9 -71.7 -49.6 55.9 78.2 31.8 143 149 A E S > S- 0 0 138 3,-0.1 3,-1.7 1,-0.1 -2,-0.1 -0.686 97.0 -80.8 -89.9 134.6 58.3 76.9 29.2 144 150 A Q T 3 S+ 0 0 140 -2,-0.4 -2,-0.1 1,-0.3 -1,-0.1 -0.345 106.6 26.8 -70.3 154.1 57.0 75.7 25.8 145 151 A P T 3 S+ 0 0 19 0, 0.0 -1,-0.3 0, 0.0 6,-0.1 -0.878 111.9 72.2 -88.5 26.3 55.6 73.4 24.6 146 152 A F < + 0 0 31 -3,-1.7 -5,-3.1 1,-0.2 2,-1.9 0.310 62.6 104.0 -84.3 11.5 54.3 72.7 28.1 147 153 A N >> - 0 0 4 -7,-0.3 4,-1.9 1,-0.2 3,-0.7 -0.576 58.7-176.6 -89.4 70.4 51.9 75.6 27.9 148 154 A Y H 3> + 0 0 0 -2,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.793 67.3 46.6 -38.1 -61.1 49.1 73.0 27.3 149 155 A S H 3> S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.852 113.0 50.4 -60.8 -35.5 46.0 75.0 26.8 150 156 A E H <> S+ 0 0 93 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.884 110.5 50.4 -68.7 -37.8 47.7 77.4 24.4 151 157 A Q H X S+ 0 0 17 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.919 111.2 49.2 -64.3 -43.4 49.0 74.5 22.4 152 158 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.928 113.4 44.5 -62.4 -48.2 45.5 73.0 22.3 153 159 A R H X S+ 0 0 76 -4,-2.4 4,-1.7 2,-0.2 53,-0.3 0.878 113.4 51.6 -65.6 -37.5 43.8 76.1 21.1 154 160 A K H X S+ 0 0 97 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.936 111.2 47.3 -63.7 -47.3 46.6 76.8 18.6 155 161 A L H X S+ 0 0 10 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.931 112.2 48.4 -61.8 -46.8 46.3 73.3 17.1 156 162 A L H X S+ 0 0 2 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.814 106.3 58.8 -65.8 -27.6 42.5 73.5 16.8 157 163 A H H X S+ 0 0 70 -4,-1.7 4,-3.1 -5,-0.2 3,-0.4 0.949 108.4 45.2 -63.4 -46.9 42.8 76.9 15.2 158 164 A T H X S+ 0 0 20 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.928 107.8 58.1 -60.8 -45.9 44.9 75.3 12.4 159 165 A C H < S+ 0 0 0 -4,-2.4 12,-2.4 1,-0.2 13,-1.0 0.813 118.9 30.5 -54.7 -33.5 42.5 72.3 12.2 160 166 A V H < S+ 0 0 1 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.839 130.2 31.6 -95.3 -38.5 39.6 74.7 11.4 161 167 A H H >< S+ 0 0 16 -4,-3.1 3,-2.0 -5,-0.2 4,-0.3 0.493 76.1 129.9-103.2 -5.1 41.3 77.6 9.6 162 168 A N T 3< S+ 0 0 35 -4,-2.4 -60,-0.0 -5,-0.3 -4,-0.0 -0.229 71.0 35.6 -53.6 135.1 44.3 76.2 7.7 163 169 A G T 3 S+ 0 0 33 6,-0.2 3,-0.5 7,-0.0 -1,-0.2 0.084 89.3 93.4 108.7 -23.2 44.2 77.3 4.1 164 170 A E S < S+ 0 0 118 -3,-2.0 -2,-0.1 1,-0.2 5,-0.0 0.833 104.5 21.2 -70.7 -32.1 42.8 80.8 4.7 165 171 A G S S+ 0 0 85 -4,-0.3 -1,-0.2 0, 0.0 -3,-0.1 -0.022 132.6 14.9-125.9 30.6 46.4 82.2 4.9 166 172 A G S S- 0 0 36 -3,-0.5 -67,-0.0 2,-0.2 0, 0.0 -0.981 90.3 -77.7-178.4-178.6 48.4 79.6 3.0 167 173 A P S S+ 0 0 108 0, 0.0 -68,-0.1 0, 0.0 -5,-0.0 0.459 92.4 107.0 -79.1 -0.5 48.4 76.5 0.7 168 174 A G - 0 0 7 -70,-0.1 -2,-0.2 1,-0.0 -68,-0.1 -0.047 60.6-137.4 -71.8 177.1 47.3 74.3 3.6 169 175 A H - 0 0 79 -70,-0.3 -6,-0.2 -6,-0.1 -7,-0.2 -0.975 16.8-110.7-137.5 151.2 43.9 72.7 4.2 170 176 A P - 0 0 21 0, 0.0 -10,-0.2 0, 0.0 -11,-0.2 -0.300 16.6-131.7 -76.7 164.3 41.7 72.3 7.3 171 177 A M S S+ 0 0 0 -12,-2.4 9,-3.0 -13,-0.1 2,-0.4 0.487 93.8 56.1 -93.0 -5.6 41.0 68.9 8.9 172 178 A W B S-F 179 0E 0 -13,-1.0 2,-0.5 7,-0.3 7,-0.2 -0.976 90.6-118.6-124.8 138.7 37.3 69.6 9.0 173 179 A N > - 0 0 22 5,-2.5 4,-1.6 -2,-0.4 5,-0.4 -0.682 23.0-146.6 -76.0 124.5 35.2 70.5 6.0 174 180 A R T 4 S+ 0 0 95 -2,-0.5 -1,-0.2 1,-0.2 -14,-0.0 0.758 91.5 49.9 -65.5 -26.2 33.9 73.9 6.8 175 181 A D T 4 S+ 0 0 143 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.916 123.5 24.8 -81.3 -46.0 30.6 73.4 5.0 176 182 A N T 4 S- 0 0 48 2,-0.1 -2,-0.2 43,-0.0 -1,-0.1 0.496 95.3-132.4 -98.3 -3.2 29.5 70.1 6.4 177 183 A K < + 0 0 47 -4,-1.6 2,-0.4 1,-0.2 43,-0.2 0.722 57.6 141.1 60.4 25.2 31.4 70.4 9.7 178 184 A L - 0 0 11 -5,-0.4 -5,-2.5 41,-0.1 -1,-0.2 -0.814 55.8-117.2-102.8 138.5 32.8 66.8 9.3 179 185 A I B -F 172 0E 0 -2,-0.4 10,-0.3 -7,-0.2 -7,-0.3 -0.400 34.9-131.8 -67.4 146.6 36.3 65.7 10.2 180 186 A K - 0 0 6 -9,-3.0 8,-0.3 8,-0.1 6,-0.1 -0.597 13.7-122.3 -99.7 162.5 38.2 64.4 7.1 181 187 A F S S- 0 0 31 6,-2.2 -59,-0.2 1,-0.3 7,-0.1 0.934 99.4 -12.2 -65.4 -46.9 40.3 61.3 6.7 182 188 A I S > S- 0 0 41 5,-0.4 3,-1.5 -62,-0.1 -1,-0.3 -0.958 80.4 -99.7-147.5 158.5 43.2 63.6 5.8 183 189 A P T 3 S+ 0 0 0 0, 0.0 -2,-0.0 0, 0.0 -63,-0.0 0.799 115.0 48.5 -50.5 -38.5 43.5 67.3 5.0 184 190 A E T 3 S+ 0 0 96 -15,-0.1 2,-0.2 -4,-0.0 -13,-0.1 0.347 99.7 73.3 -91.5 6.9 43.6 67.0 1.2 185 191 A V < - 0 0 31 -3,-1.5 -3,-0.1 2,-0.1 -5,-0.0 -0.729 69.7-135.8-115.1 168.0 40.7 64.6 0.5 186 192 A E S S+ 0 0 104 -2,-0.2 55,-0.5 -6,-0.1 2,-0.3 -0.370 75.0 75.0-119.3 52.4 37.0 65.0 0.6 187 193 A F E -G 240 0F 30 -5,-0.2 -6,-2.2 53,-0.2 -5,-0.4 -0.915 63.7-137.0-148.0 172.2 35.8 61.9 2.5 188 194 A S E -G 239 0F 0 51,-3.1 51,-2.1 -2,-0.3 -8,-0.1 -0.514 11.6-125.4-126.1-168.9 35.9 60.7 6.1 189 195 A D > - 0 0 0 -10,-0.3 3,-2.5 49,-0.3 4,-0.4 -0.914 18.5-146.4-143.9 107.0 36.5 57.9 8.5 190 196 A P G > S+ 0 0 1 0, 0.0 3,-1.8 0, 0.0 47,-0.1 0.836 97.2 59.9 -43.8 -43.6 33.6 57.0 10.9 191 197 A S G 3 S+ 0 0 6 46,-0.4 47,-0.1 45,-0.3 46,-0.1 0.633 95.8 64.4 -64.2 -14.4 36.0 56.0 13.7 192 198 A Y G < S+ 0 0 14 -3,-2.5 2,-0.6 -13,-0.1 -1,-0.3 0.603 77.0 104.8 -83.2 -14.5 37.5 59.5 13.7 193 199 A H < + 0 0 1 -3,-1.8 3,-0.1 -4,-0.4 -15,-0.0 -0.600 39.3 168.8 -77.4 115.0 34.2 61.1 14.8 194 200 A L >> + 0 0 2 -2,-0.6 4,-2.1 1,-0.1 3,-1.1 -0.675 6.2 169.9-125.3 74.8 34.3 62.2 18.4 195 201 A P H 3> S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.845 80.8 58.1 -55.2 -34.1 31.2 64.4 19.0 196 202 A H H 3> S+ 0 0 0 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.820 106.1 48.8 -66.4 -30.8 31.9 64.2 22.8 197 203 A F H <> S+ 0 0 0 -3,-1.1 4,-2.1 2,-0.2 3,-0.3 0.920 110.2 51.1 -72.4 -43.7 35.4 65.7 22.2 198 204 A Y H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.831 102.0 60.6 -64.0 -32.3 33.9 68.5 20.0 199 205 A E H < S+ 0 0 42 -4,-2.0 -1,-0.2 1,-0.2 4,-0.2 0.916 109.1 43.9 -59.8 -41.9 31.4 69.3 22.7 200 206 A L H >X S+ 0 0 0 -4,-1.0 4,-1.9 -3,-0.3 3,-1.6 0.880 109.0 55.8 -71.8 -36.3 34.3 70.1 25.0 201 207 A F H 3X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.3 -1,-0.2 0.859 99.0 63.0 -63.0 -31.5 36.1 72.0 22.2 202 208 A S H 3< S+ 0 0 20 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.643 111.1 38.5 -67.9 -11.4 33.0 74.2 22.0 203 209 A L H <4 S+ 0 0 72 -3,-1.6 -2,-0.2 -4,-0.2 -1,-0.2 0.714 129.0 26.9-106.1 -29.9 33.7 75.3 25.5 204 210 A W H < S+ 0 0 28 -4,-1.9 -3,-0.2 2,-0.1 -2,-0.2 0.578 94.4 92.3-114.3 -13.1 37.5 75.5 25.5 205 211 A A S < S- 0 0 1 -4,-2.7 5,-0.1 -5,-0.2 -52,-0.1 -0.138 98.3 -58.0 -73.4 177.8 38.7 76.3 21.9 206 212 A N > - 0 0 46 -53,-0.3 3,-2.3 1,-0.1 4,-0.4 -0.335 55.8-120.3 -54.9 139.0 39.2 79.8 20.7 207 213 A E G > S+ 0 0 155 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.823 109.1 67.2 -54.2 -34.8 35.9 81.6 21.1 208 214 A E G 3 S+ 0 0 132 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.670 108.5 39.5 -62.1 -15.5 35.7 82.4 17.4 209 215 A D G <> S+ 0 0 7 -3,-2.3 4,-2.5 2,-0.1 -1,-0.3 0.352 84.9 97.8-114.7 4.4 35.3 78.6 16.8 210 216 A R H <> S+ 0 0 82 -3,-1.4 4,-1.4 -4,-0.4 -2,-0.1 0.858 86.3 47.9 -64.4 -34.2 33.1 77.6 19.6 211 217 A V H > S+ 0 0 102 -4,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.930 110.7 53.4 -69.7 -43.3 29.9 77.7 17.6 212 218 A F H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.924 107.3 50.6 -55.0 -48.4 31.7 75.7 14.8 213 219 A W H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.851 108.0 52.4 -62.4 -33.1 32.6 73.0 17.3 214 220 A K H X S+ 0 0 138 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.917 111.4 47.5 -66.9 -40.9 29.1 72.7 18.6 215 221 A E H X S+ 0 0 84 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.839 108.8 54.5 -67.9 -33.5 28.0 72.3 15.0 216 222 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.893 105.8 52.6 -67.3 -39.4 30.7 69.7 14.4 217 223 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.947 113.4 43.3 -60.1 -47.8 29.4 67.6 17.4 218 224 A E H X S+ 0 0 102 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.908 113.2 52.1 -64.5 -43.2 25.9 67.6 15.9 219 225 A A H X S+ 0 0 21 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.902 109.9 49.1 -61.0 -42.3 27.2 66.9 12.4 220 226 A S H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.886 108.4 52.5 -66.7 -38.3 29.2 63.9 13.6 221 227 A R H X S+ 0 0 51 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.911 113.2 44.4 -64.4 -39.8 26.3 62.5 15.6 222 228 A E H X S+ 0 0 88 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.875 110.5 55.6 -71.1 -35.2 24.1 62.7 12.5 223 229 A Y H >X S+ 0 0 6 -4,-2.2 4,-1.9 1,-0.2 3,-0.6 0.902 101.7 56.2 -63.9 -42.4 26.9 61.3 10.3 224 230 A L H 3X S+ 0 0 11 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.851 100.5 61.0 -59.6 -32.3 27.3 58.2 12.4 225 231 A K H 3< S+ 0 0 88 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.874 112.4 35.6 -63.5 -37.6 23.6 57.4 11.9 226 232 A I H << S+ 0 0 101 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.688 114.6 57.1 -90.3 -17.0 24.0 57.1 8.1 227 233 A A H < S+ 0 0 2 -4,-1.9 2,-0.4 -5,-0.1 -2,-0.2 0.814 92.0 77.8 -82.3 -31.1 27.5 55.5 8.3 228 234 A C S < S- 0 0 8 -4,-1.9 7,-0.2 -5,-0.2 6,-0.2 -0.649 93.9-107.0 -83.3 132.9 26.5 52.5 10.4 229 235 A H > - 0 0 38 5,-2.5 4,-1.7 -2,-0.4 -1,-0.1 -0.320 25.4-131.6 -57.3 133.3 24.6 49.7 8.6 230 236 A P T 4 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 73,-0.1 0.725 100.2 31.9 -61.3 -24.2 20.9 49.8 9.6 231 237 A E T 4 S+ 0 0 145 3,-0.1 72,-0.1 53,-0.0 57,-0.1 0.860 131.6 26.5-100.1 -47.7 20.8 46.0 10.4 232 238 A T T 4 S- 0 0 12 70,-0.3 56,-0.3 2,-0.1 3,-0.1 0.697 88.9-135.2 -89.8 -23.8 24.3 45.0 11.7 233 239 A G < + 0 0 0 -4,-1.7 2,-0.2 1,-0.3 52,-0.2 0.440 54.3 146.7 80.7 0.3 25.3 48.4 13.0 234 240 A L - 0 0 0 68,-0.5 -5,-2.5 -6,-0.2 -1,-0.3 -0.502 34.4-154.7 -76.0 134.8 28.7 47.9 11.4 235 241 A A - 0 0 1 -7,-0.2 20,-0.3 -2,-0.2 -7,-0.2 -0.834 16.2-118.4-109.3 146.3 30.5 51.0 10.1 236 242 A P - 0 0 0 0, 0.0 -45,-0.3 0, 0.0 18,-0.2 -0.344 21.2-120.5 -76.4 162.0 33.1 51.0 7.2 237 243 A E S S+ 0 0 6 16,-1.2 -46,-0.4 14,-0.7 2,-0.4 0.948 100.5 22.4 -68.0 -49.1 36.7 52.2 7.9 238 244 A Y S S+ 0 0 24 13,-2.7 8,-2.1 8,-0.3 2,-0.3 -0.924 75.2 178.2-116.8 146.4 36.5 55.0 5.3 239 245 A A E -GH 188 245F 0 -51,-2.1 -51,-3.1 -2,-0.4 -58,-0.1 -0.996 28.1-116.5-147.6 147.9 33.2 56.6 4.1 240 246 A Y E > -G 187 0F 67 4,-2.8 3,-1.9 -2,-0.3 -53,-0.2 -0.254 42.2-100.5 -73.2 170.2 32.2 59.4 1.8 241 247 A Y T 3 S+ 0 0 46 -55,-0.5 -1,-0.1 1,-0.3 -54,-0.1 0.804 123.5 66.4 -63.8 -25.3 30.4 62.4 3.2 242 248 A D T 3 S- 0 0 104 2,-0.1 -1,-0.3 1,-0.1 -55,-0.0 0.505 118.4-112.5 -74.2 -1.3 27.2 60.8 1.9 243 249 A G S < S+ 0 0 3 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.130 77.3 120.8 95.7 -21.0 27.7 58.1 4.5 244 250 A T S S- 0 0 71 1,-0.1 -4,-2.8 -5,-0.1 -1,-0.3 -0.381 71.4 -85.7 -77.9 156.8 28.4 55.2 2.1 245 251 A P B -H 239 0F 45 0, 0.0 2,-0.8 0, 0.0 -6,-0.3 -0.270 25.9-143.4 -63.4 142.8 31.7 53.2 2.2 246 252 A N + 0 0 5 -8,-2.1 5,-0.3 5,-0.3 3,-0.3 -0.903 30.6 163.3-105.5 101.1 34.8 54.3 0.3 247 253 A D > + 0 0 73 -2,-0.8 3,-1.1 4,-0.2 -1,-0.1 0.115 33.0 119.5-106.5 20.6 36.3 51.0 -0.8 248 254 A E T 3 S+ 0 0 126 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.826 94.3 20.1 -54.0 -34.4 38.6 52.5 -3.5 249 255 A K T 3 S- 0 0 177 -3,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.108 127.0 -85.1-123.8 20.1 41.6 51.1 -1.6 250 256 A G S < S+ 0 0 32 -3,-1.1 3,-0.4 -12,-0.0 -3,-0.1 0.496 97.8 113.0 92.6 4.9 39.9 48.4 0.4 251 257 A Y + 0 0 91 -5,-0.3 -13,-2.7 1,-0.2 -14,-0.7 0.190 45.8 96.9 -94.8 17.2 38.8 50.5 3.4 252 258 A G S S+ 0 0 3 -15,-0.2 50,-0.4 -16,-0.2 -1,-0.2 0.241 72.4 72.4 -91.8 17.7 35.1 50.1 2.8 253 259 A H S S- 0 0 21 -3,-0.4 -16,-1.2 48,-0.1 2,-1.0 -0.602 94.8 -80.3-122.9-179.5 34.4 47.3 5.2 254 260 A F B S+I 300 0G 5 46,-3.2 46,-1.5 -18,-0.2 2,-0.2 -0.749 77.7 118.0 -85.4 105.3 34.2 46.5 8.9 255 261 A F S >> S- 0 0 9 -2,-1.0 4,-1.1 -20,-0.3 3,-0.6 -0.711 72.5 -33.8-146.9-161.4 37.8 46.2 10.0 256 262 A S G >4 S+ 0 0 16 1,-0.2 3,-0.5 -2,-0.2 4,-0.4 0.746 129.9 42.9 -33.6 -57.0 40.5 47.7 12.3 257 263 A D G >4 S+ 0 0 29 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 0.932 109.0 61.1 -59.7 -46.2 39.5 51.4 12.2 258 264 A S G X> S+ 0 0 1 -3,-0.6 3,-1.9 1,-0.3 4,-0.5 0.718 84.4 75.7 -52.4 -33.8 35.8 50.6 12.5 259 265 A Y H XX S+ 0 0 1 -4,-1.1 4,-0.8 -3,-0.5 3,-0.6 0.827 86.9 62.9 -53.4 -33.9 36.1 48.9 15.9 260 266 A R H <> S+ 0 0 11 -3,-1.5 4,-2.9 -4,-0.4 -1,-0.3 0.692 83.7 77.1 -67.9 -19.2 36.5 52.3 17.6 261 267 A V H <> S+ 0 0 4 -3,-1.9 4,-2.4 -4,-0.2 -1,-0.2 0.939 95.6 46.8 -56.8 -48.4 33.0 53.4 16.5 262 268 A A H - 0 0 56 52,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.979 31.9-116.1-152.3 156.0 20.2 58.2 23.3 276 282 A E H > S+ 0 0 140 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.930 116.2 50.3 -60.9 -44.8 17.7 55.8 21.7 277 283 A W H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.919 110.3 48.6 -60.7 -45.9 19.9 55.6 18.6 278 284 A S H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.908 112.1 47.8 -63.1 -43.0 23.1 54.8 20.4 279 285 A A H X S+ 0 0 23 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.929 114.9 46.5 -63.6 -43.9 21.5 52.1 22.5 280 286 A E H X S+ 0 0 84 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.868 111.6 52.0 -66.0 -36.5 19.9 50.6 19.4 281 287 A E H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.927 110.9 46.0 -66.3 -46.0 23.2 50.8 17.5 282 288 A I H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.899 110.3 54.4 -65.3 -38.2 25.2 49.1 20.2 283 289 A N H X S+ 0 0 43 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.886 107.7 51.6 -62.3 -36.4 22.5 46.4 20.5 284 290 A K H X S+ 0 0 59 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.940 111.9 44.4 -64.5 -49.0 22.9 45.8 16.7 285 291 A I H X S+ 0 0 4 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.940 116.7 45.5 -62.0 -48.1 26.6 45.4 16.8 286 292 A Q H X S+ 0 0 2 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.892 111.0 53.3 -64.5 -37.9 26.5 43.2 19.9 287 293 A A H < S+ 0 0 39 -4,-2.4 3,-0.5 -5,-0.3 4,-0.5 0.912 106.2 54.8 -62.3 -39.8 23.7 41.1 18.4 288 294 A F H < S+ 0 0 29 -4,-2.2 3,-0.3 -56,-0.3 -1,-0.2 0.876 115.5 37.4 -60.8 -38.6 25.8 40.6 15.3 289 295 A F H >< S+ 0 0 9 -4,-1.6 3,-1.9 1,-0.2 -1,-0.2 0.515 89.8 95.8 -92.8 -4.0 28.7 39.2 17.3 290 296 A A T 3< S+ 0 0 59 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.1 0.820 93.3 36.2 -55.0 -37.0 26.5 37.3 19.8 291 297 A D T 3 S+ 0 0 127 -4,-0.5 2,-0.4 -3,-0.3 -1,-0.3 0.121 102.6 94.4-105.3 20.7 26.8 34.0 17.9 292 298 A K < - 0 0 45 -3,-1.9 5,-0.1 3,-0.0 -3,-0.0 -0.935 67.3-134.7-118.7 136.1 30.4 34.5 16.7 293 299 A E >> - 0 0 124 -2,-0.4 3,-2.4 1,-0.1 4,-0.5 -0.692 18.1-128.6 -87.9 136.1 33.6 33.2 18.4 294 300 A P G >4 S+ 0 0 24 0, 0.0 3,-1.4 0, 0.0 17,-0.2 0.857 110.0 58.8 -48.3 -41.9 36.5 35.7 18.7 295 301 A E G 34 S+ 0 0 144 1,-0.3 15,-0.0 15,-0.1 -2,-0.0 0.722 110.3 45.1 -62.7 -19.3 38.9 33.1 17.1 296 302 A D G <4 S+ 0 0 67 -3,-2.4 -1,-0.3 14,-0.1 -3,-0.0 0.399 79.0 132.7-104.8 -0.4 36.6 33.3 14.1 297 303 A Y << - 0 0 6 -3,-1.4 14,-2.6 -4,-0.5 2,-0.2 -0.285 35.3-178.8 -54.3 134.0 36.1 37.1 13.9 298 304 A R E - J 0 310G 61 12,-0.3 2,-0.4 16,-0.0 12,-0.2 -0.543 38.1 -85.3-122.4-174.2 36.6 38.1 10.2 299 305 A R E - 0 0 37 10,-1.9 8,-2.5 -2,-0.2 2,-0.3 -0.809 55.4-164.2 -89.4 138.3 36.7 41.2 8.1 300 306 A Y E -IJ 254 306G 3 -46,-1.5 -46,-3.2 -2,-0.4 2,-0.1 -0.963 25.3-118.2-129.4 148.2 33.0 41.8 7.2 301 307 A K > - 0 0 80 4,-2.9 3,-2.4 -2,-0.3 -48,-0.1 -0.485 47.6-104.6 -70.7 158.0 31.2 43.8 4.6 302 308 A I T 3 S+ 0 0 29 -50,-0.4 -68,-0.5 1,-0.3 -70,-0.3 0.747 121.6 63.4 -63.2 -17.7 29.1 46.2 6.6 303 309 A D T 3 S- 0 0 82 2,-0.1 -1,-0.3 -71,-0.1 -50,-0.0 0.466 125.1-100.0 -83.2 1.3 26.0 44.2 5.7 304 310 A G S < S+ 0 0 13 -3,-2.4 -2,-0.1 1,-0.3 -1,-0.0 0.217 73.4 144.8 104.7 -15.9 27.5 41.3 7.6 305 311 A E - 0 0 110 -5,-0.1 -4,-2.9 1,-0.1 -1,-0.3 -0.370 46.1-129.4 -59.8 126.9 28.9 39.2 4.7 306 312 A P E -J 300 0G 76 0, 0.0 2,-0.2 0, 0.0 -6,-0.2 -0.539 12.8-150.0 -85.5 146.9 32.1 37.6 5.9 307 313 A F E - 0 0 70 -8,-2.5 -8,-0.1 2,-0.3 0, 0.0 -0.615 27.9-117.9 -99.6 165.2 35.5 37.6 4.2 308 314 A E E S+ 0 0 185 -2,-0.2 -1,-0.1 -10,-0.1 2,-0.0 0.872 89.2 98.3 -71.8 -35.4 37.9 34.7 4.6 309 315 A E E S- 0 0 81 1,-0.1 -10,-1.9 -11,-0.1 -2,-0.3 -0.259 73.8-132.4 -57.1 130.8 40.4 37.1 6.2 310 316 A K E -J 298 0G 103 -12,-0.2 -12,-0.3 1,-0.1 -13,-0.1 -0.453 32.2 -88.4 -81.5 156.6 40.4 37.0 10.0 311 317 A S - 0 0 10 -14,-2.6 -1,-0.1 -17,-0.2 -12,-0.1 -0.404 29.7-148.9 -60.2 138.9 40.3 40.1 12.1 312 318 A L S S+ 0 0 92 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.603 94.2 35.2 -86.7 -11.4 43.9 41.3 12.7 313 319 A H > + 0 0 32 1,-0.1 4,-2.1 41,-0.1 -1,-0.2 -0.427 64.1 153.9-140.4 62.3 42.8 42.7 16.1 314 320 A P H > S+ 0 0 40 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.837 78.0 54.2 -61.1 -34.5 40.2 40.5 17.7 315 321 A V H > S+ 0 0 24 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.913 108.6 49.5 -66.8 -40.6 41.1 41.6 21.2 316 322 A G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.900 109.5 51.9 -63.7 -40.0 40.7 45.2 20.2 317 323 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.935 109.7 49.4 -61.5 -45.6 37.3 44.3 18.7 318 324 A I H X S+ 0 0 6 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.933 111.6 49.6 -57.9 -47.3 36.3 42.6 22.0 319 325 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.909 112.4 46.0 -60.1 -44.9 37.4 45.7 24.0 320 326 A T H X S+ 0 0 2 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.897 111.0 51.5 -68.6 -39.1 35.5 48.2 21.8 321 327 A N H < S+ 0 0 3 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.883 112.4 47.8 -64.3 -36.5 32.3 46.1 21.8 322 328 A A H >< S+ 0 0 0 -4,-2.1 3,-1.5 -5,-0.2 4,-0.2 0.917 109.4 51.6 -69.0 -43.7 32.5 45.9 25.6 323 329 A M H >< S+ 0 0 6 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.844 100.0 66.4 -61.2 -31.7 33.1 49.7 25.9 324 330 A G G >< S+ 0 0 0 -4,-1.9 3,-2.5 1,-0.3 -1,-0.3 0.760 80.1 79.9 -60.5 -24.7 30.1 50.1 23.7 325 331 A S G X S+ 0 0 0 -3,-1.5 3,-1.7 -4,-0.5 -1,-0.3 0.712 74.1 75.6 -57.2 -20.6 28.0 48.7 26.5 326 332 A L G < S+ 0 0 9 -3,-1.8 3,-0.3 1,-0.3 -1,-0.3 0.728 95.4 51.0 -64.4 -18.6 28.1 52.1 28.2 327 333 A A G < S+ 0 0 8 -3,-2.5 -52,-0.3 1,-0.2 -1,-0.3 0.425 123.1 27.9 -96.8 -1.4 25.6 53.2 25.6 328 334 A S X + 0 0 10 -3,-1.7 3,-2.1 -4,-0.2 -1,-0.2 -0.362 65.4 163.5-156.0 64.7 23.2 50.3 26.3 329 335 A V T 3 S+ 0 0 30 -3,-0.3 6,-0.1 1,-0.3 -3,-0.1 0.744 84.2 42.9 -59.8 -25.1 23.6 49.2 29.9 330 336 A D T 3 S+ 0 0 154 4,-0.1 -1,-0.3 -3,-0.1 -5,-0.0 0.226 87.4 132.1-104.4 12.0 20.4 47.3 29.8 331 337 A G X> - 0 0 12 -3,-2.1 3,-0.8 -6,-0.2 4,-0.5 -0.238 70.0-114.4 -62.8 153.1 21.0 45.8 26.4 332 338 A P T 34 S+ 0 0 94 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.749 115.3 30.3 -61.1 -24.0 20.5 42.1 25.9 333 339 A Y T 3> S+ 0 0 83 -5,-0.1 4,-2.3 2,-0.1 5,-0.2 0.342 90.1 100.8-116.9 4.6 24.2 41.5 25.3 334 340 A A H <> S+ 0 0 0 -3,-0.8 4,-2.1 1,-0.2 5,-0.2 0.932 86.7 43.3 -55.8 -52.7 25.7 44.2 27.4 335 341 A K H X S+ 0 0 89 -4,-0.5 4,-2.7 1,-0.2 5,-0.2 0.912 112.6 53.4 -60.5 -45.5 26.7 42.0 30.3 336 342 A A H > S+ 0 0 58 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.895 109.4 48.8 -59.2 -41.0 28.0 39.2 28.1 337 343 A N H X S+ 0 0 15 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.914 111.4 48.0 -67.2 -42.5 30.3 41.7 26.3 338 344 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.910 113.7 48.7 -64.6 -39.8 31.7 43.1 29.5 339 345 A D H X S+ 0 0 37 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.907 109.1 52.6 -65.9 -41.0 32.2 39.5 30.8 340 346 A L H < S+ 0 0 58 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.936 110.8 47.8 -59.3 -46.1 33.9 38.5 27.6 341 347 A F H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.918 109.0 53.0 -61.5 -44.7 36.3 41.5 27.9 342 348 A W H 3< S+ 0 0 38 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.887 110.5 48.8 -58.8 -37.1 37.0 40.7 31.5 343 349 A N T 3< S+ 0 0 117 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.262 95.2 88.7 -87.7 12.4 37.9 37.1 30.5 344 350 A T S < S- 0 0 18 -3,-1.9 3,-0.1 -5,-0.1 -1,-0.0 -0.942 71.4-142.9-113.8 113.9 40.2 38.3 27.7 345 351 A P - 0 0 98 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.324 34.1 -88.0 -71.0 158.2 43.8 38.9 28.6 346 352 A V - 0 0 13 1,-0.1 2,-0.1 10,-0.0 6,-0.0 -0.284 57.4 -92.3 -60.8 153.0 45.8 41.8 27.0 347 353 A R - 0 0 68 5,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.393 40.1-156.6 -71.2 145.5 47.4 40.8 23.7 348 354 A T + 0 0 115 -2,-0.1 3,-0.3 -3,-0.1 2,-0.1 -0.707 45.5 47.7-113.9 167.5 51.0 39.6 23.7 349 355 A G S > S- 0 0 40 -2,-0.2 3,-1.4 1,-0.2 4,-0.2 -0.295 102.1 -45.5 98.1 178.3 53.6 39.6 20.9 350 356 A N T 3 S+ 0 0 122 1,-0.3 3,-0.2 2,-0.1 -1,-0.2 0.634 132.4 50.4 -63.9 -16.9 54.9 42.0 18.4 351 357 A R T 3> S+ 0 0 131 -3,-0.3 4,-0.5 1,-0.1 -1,-0.3 0.002 71.2 111.5-114.3 31.7 51.4 43.2 17.4 352 358 A R H <> + 0 0 24 -3,-1.4 4,-2.6 1,-0.2 5,-0.3 0.748 55.5 88.7 -72.8 -25.3 50.1 44.0 20.9 353 359 A Y H > S+ 0 0 3 -3,-0.2 4,-1.7 1,-0.2 5,-0.2 0.858 88.9 34.5 -39.8 -70.5 50.0 47.8 20.3 354 360 A Y H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.932 120.0 48.8 -59.8 -49.3 46.6 48.5 18.7 355 361 A D H X S+ 0 0 0 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.912 112.5 48.9 -57.1 -45.5 44.6 46.0 20.6 356 362 A N H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.776 106.3 54.7 -70.7 -27.0 46.1 47.0 23.9 357 363 A C H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.953 113.2 43.3 -68.1 -47.6 45.5 50.7 23.4 358 364 A L H X S+ 0 0 8 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.873 112.8 55.7 -61.9 -36.6 41.8 49.9 22.8 359 365 A Y H X S+ 0 0 1 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.939 108.1 45.4 -62.4 -50.8 42.0 47.5 25.8 360 366 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.904 111.2 53.0 -63.7 -40.4 43.2 50.2 28.2 361 367 A F H X S+ 0 0 10 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.930 111.4 46.7 -59.8 -43.0 40.7 52.7 27.0 362 368 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.871 110.3 52.7 -66.2 -36.8 37.9 50.2 27.6 363 369 A M H X S+ 0 0 0 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.905 113.2 44.5 -65.6 -40.3 39.3 49.3 31.1 364 370 A L H <>S+ 0 0 1 -4,-2.5 5,-3.3 -5,-0.2 6,-0.6 0.952 117.2 44.0 -68.4 -49.0 39.3 53.0 32.0 365 371 A A H ><5S+ 0 0 4 -4,-2.9 3,-1.2 4,-0.3 -353,-0.3 0.917 113.0 49.4 -64.0 -45.5 35.8 53.7 30.6 366 372 A L H 3<5S+ 0 0 0 -4,-2.8 -353,-2.1 1,-0.3 -354,-0.6 0.690 112.1 49.6 -69.7 -17.0 34.1 50.6 32.0 367 373 A S T 3<5S- 0 0 6 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.391 119.1-107.5 -99.9 1.3 35.5 51.2 35.5 368 374 A G T < 5S+ 0 0 9 -3,-1.2 -359,-0.2 -4,-0.3 -3,-0.2 0.749 90.2 112.6 79.5 25.5 34.4 54.9 35.5 369 375 A N < + 0 0 67 -5,-3.3 2,-0.9 -6,-0.2 -4,-0.3 0.238 42.4 90.9-114.4 11.5 37.9 56.2 35.1 370 376 A F + 0 0 5 -6,-0.6 2,-0.2 -5,-0.2 -1,-0.1 -0.838 68.8 169.6-106.2 89.9 37.8 57.8 31.6 371 377 A K - 0 0 66 -2,-0.9 2,-0.5 -296,-0.1 -2,-0.1 -0.543 43.2-114.4-107.3 168.6 36.8 61.3 32.8 372 378 A I - 0 0 6 -2,-0.2 2,-0.7 -369,-0.1 -2,-0.0 -0.858 29.4-148.5 -96.7 128.1 36.4 64.8 31.7 373 379 A W - 0 0 57 -2,-0.5 -237,-0.2 0, 0.0 -236,-0.1 -0.906 16.6-159.2-105.7 110.3 38.9 67.1 33.5 374 380 A F 0 0 46 -2,-0.7 0, 0.0 1,-0.1 0, 0.0 -0.452 360.0 360.0 -86.6 158.1 37.4 70.6 34.0 375 381 A P 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -239,-0.1 -0.179 360.0 360.0 -62.5 360.0 39.2 73.9 34.6