==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 04-NOV-02 1N57 . COMPND 2 MOLECULE: CHAPERONE HSP31; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.M.QUIGLEY,K.KOROTKOV,F.BANEYX,W.G.J.HOL . 279 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 24 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 0 0 1 2 0 0 0 0 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 0 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 PARALLEL BRIDGES PER LADDER . 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 T 0 0 101 0, 0.0 2,-0.2 0, 0.0 17,-0.0 0.000 360.0 360.0 360.0 139.8 0.7 1.5 57.2 2 6 A S - 0 0 57 1,-0.1 18,-3.0 2,-0.1 19,-0.4 -0.430 360.0-160.2 -70.1 136.8 0.6 3.1 60.6 3 7 A K + 0 0 105 -2,-0.2 15,-0.2 16,-0.2 -1,-0.1 0.406 59.2 114.1 -93.4 3.5 -1.6 6.2 61.3 4 8 A N S S- 0 0 117 1,-0.1 15,-0.5 13,-0.1 16,-0.1 -0.586 78.6-107.3 -75.0 128.3 0.4 7.1 64.4 5 9 A P - 0 0 29 0, 0.0 2,-0.5 0, 0.0 13,-0.1 -0.250 36.7-124.0 -44.6 139.6 2.4 10.3 64.2 6 10 A Q E -A 16 0A 81 10,-1.7 10,-3.6 211,-0.3 12,-0.0 -0.825 24.4-114.5 -97.9 122.0 6.1 9.6 63.8 7 11 A V E -A 15 0A 83 -2,-0.5 2,-0.7 8,-0.3 8,-0.3 -0.247 14.5-152.8 -56.4 132.7 8.4 11.1 66.4 8 12 A D > - 0 0 10 6,-2.7 3,-1.6 3,-0.2 6,-0.4 -0.923 11.8-166.4-100.1 97.6 10.9 13.7 65.3 9 13 A I T 3 S+ 0 0 156 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.643 75.2 77.5 -69.2 -13.3 13.6 13.1 67.9 10 14 A A T 3 S+ 0 0 80 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.786 101.9 39.9 -60.6 -27.5 15.4 16.3 67.1 11 15 A E S X S- 0 0 83 -3,-1.6 3,-1.0 3,-0.1 2,-0.3 -0.895 92.9-100.3-131.2 151.6 12.8 18.2 69.0 12 16 A D T 3 S- 0 0 134 -2,-0.3 52,-0.2 1,-0.2 -3,-0.1 -0.565 101.3 -8.5 -72.1 128.1 10.8 17.7 72.2 13 17 A N T 3 S+ 0 0 70 -2,-0.3 51,-2.7 1,-0.2 2,-0.3 0.847 100.5 141.2 57.5 40.4 7.2 16.4 71.7 14 18 A A E < - b 0 64A 0 -3,-1.0 -6,-2.7 -6,-0.4 2,-0.4 -0.884 30.6-166.0-118.3 148.6 7.4 16.8 67.9 15 19 A F E -Ab 7 65A 30 49,-2.6 51,-3.0 -2,-0.3 -8,-0.3 -0.989 16.0-146.1-140.7 138.7 6.1 14.6 65.1 16 20 A F E -A 6 0A 64 -10,-3.6 -10,-1.7 -2,-0.4 51,-0.1 -0.431 53.0 -75.0 -79.3 165.9 6.4 14.0 61.5 17 21 A P - 0 0 0 0, 0.0 201,-0.3 0, 0.0 -1,-0.2 -0.272 60.3 -93.4 -57.7 151.8 3.3 12.8 59.5 18 22 A S > - 0 0 0 199,-1.7 4,-2.7 -15,-0.2 5,-0.2 -0.247 29.3-111.3 -66.4 154.1 2.2 9.2 59.9 19 23 A E H > S+ 0 0 96 -15,-0.5 4,-1.9 1,-0.2 -16,-0.2 0.908 120.3 51.0 -49.7 -46.2 3.4 6.5 57.6 20 24 A Y H > S+ 0 0 63 -18,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.932 109.4 47.7 -61.0 -46.1 -0.1 6.2 56.3 21 25 A S H > S+ 0 0 0 195,-0.4 4,-1.9 -19,-0.4 3,-0.5 0.865 108.8 55.0 -68.6 -33.7 -0.6 9.9 55.6 22 26 A L H X S+ 0 0 30 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.906 103.9 55.1 -63.0 -40.1 2.8 10.0 53.8 23 27 A S H < S+ 0 0 68 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.743 114.5 41.2 -64.0 -22.1 1.6 7.2 51.5 24 28 A Q H < S+ 0 0 101 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.762 124.5 31.5 -91.5 -29.5 -1.5 9.4 50.6 25 29 A Y H < S+ 0 0 116 -4,-1.9 2,-0.3 -5,-0.1 -2,-0.2 0.434 110.4 54.1-119.5 -2.0 0.1 12.8 50.3 26 30 A T < - 0 0 38 -4,-1.8 78,-0.1 -5,-0.2 79,-0.1 -0.933 52.3-172.7-131.0 156.3 3.7 12.4 49.0 27 31 A S - 0 0 69 -2,-0.3 80,-0.1 77,-0.3 81,-0.1 -0.983 33.1-126.2-142.6 154.3 5.3 10.7 46.1 28 32 A P S S+ 0 0 60 0, 0.0 80,-2.1 0, 0.0 81,-0.6 0.640 99.8 48.1 -72.7 -13.3 8.9 10.0 45.0 29 33 A V S S- 0 0 79 79,-0.2 78,-0.1 78,-0.1 2,-0.0 -0.998 78.8-140.1-133.0 133.9 8.3 11.7 41.7 30 34 A S - 0 0 16 -2,-0.4 81,-0.0 76,-0.2 82,-0.0 -0.233 23.0-115.8 -81.3 171.7 6.6 15.1 41.0 31 35 A D + 0 0 115 2,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 0.066 55.7 154.5 -94.5 20.8 4.1 16.0 38.2 32 36 A L + 0 0 20 2,-0.0 2,-0.3 231,-0.0 80,-0.0 -0.280 17.3 136.0 -54.1 128.1 6.5 18.5 36.6 33 37 A D + 0 0 105 230,-0.1 3,-0.1 1,-0.0 234,-0.1 -0.976 35.4 49.4-164.9 162.8 5.6 18.9 32.9 34 38 A G + 0 0 31 -2,-0.3 2,-1.6 1,-0.2 -1,-0.0 0.750 52.4 156.9 73.0 25.0 5.2 21.5 30.2 35 39 A V + 0 0 43 1,-0.0 2,-0.4 2,-0.0 -1,-0.2 -0.658 19.5 140.5 -86.5 89.5 8.4 23.4 30.7 36 40 A D + 0 0 122 -2,-1.6 -1,-0.0 -3,-0.1 48,-0.0 -0.848 9.7 152.4-137.4 88.6 8.5 24.8 27.2 37 41 A Y + 0 0 33 -2,-0.4 -2,-0.0 1,-0.1 48,-0.0 -0.847 11.5 175.3-124.3 91.7 9.7 28.4 27.1 38 42 A P S S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 46,-0.0 0.713 79.5 38.3 -73.4 -21.4 11.3 28.9 23.6 39 43 A K S S- 0 0 175 45,-0.0 3,-0.1 0, 0.0 45,-0.0 -0.656 83.7-172.8-130.7 73.4 11.9 32.6 24.2 40 44 A P - 0 0 57 0, 0.0 45,-0.2 0, 0.0 2,-0.2 -0.154 34.0 -92.7 -62.6 156.1 12.9 33.2 27.9 41 45 A Y - 0 0 39 43,-3.0 233,-0.1 1,-0.1 237,-0.0 -0.490 33.0-166.5 -62.7 141.7 13.3 36.5 29.6 42 46 A R + 0 0 236 -2,-0.2 -1,-0.1 -3,-0.1 43,-0.1 0.331 51.4 99.7-117.1 1.3 16.9 37.7 29.4 43 47 A G S S- 0 0 37 1,-0.1 234,-0.0 2,-0.1 -2,-0.0 0.078 80.3-106.6 -78.3-166.6 16.9 40.5 32.0 44 48 A K S S+ 0 0 149 42,-0.1 97,-0.1 2,-0.1 -1,-0.1 0.554 70.4 122.8-105.8 -7.9 18.1 40.5 35.7 45 49 A H - 0 0 39 97,-0.1 42,-0.4 1,-0.1 97,-0.3 -0.308 42.7-165.2 -59.0 138.7 14.8 40.5 37.6 46 50 A K E -d 142 0B 52 95,-2.1 97,-2.7 40,-0.2 98,-1.1 -0.706 26.1-103.6-118.2 163.8 14.4 37.6 40.0 47 51 A I E -de 144 88B 0 40,-2.6 42,-2.4 -2,-0.2 2,-0.6 -0.823 31.3-145.0 -81.4 125.4 11.7 35.9 42.0 48 52 A L E -de 145 89B 0 96,-2.8 98,-3.1 -2,-0.5 2,-0.6 -0.883 16.6-157.6 -90.9 119.1 12.0 36.9 45.7 49 53 A V E -de 146 90B 0 40,-3.0 42,-3.1 -2,-0.6 2,-0.7 -0.894 7.8-157.1-103.4 123.8 11.0 33.8 47.7 50 54 A I E + e 0 91B 0 96,-2.4 2,-0.2 -2,-0.6 42,-0.2 -0.910 28.2 179.8 -98.6 110.8 9.8 34.4 51.3 51 55 A A - 0 0 0 40,-2.6 42,-0.5 -2,-0.7 2,-0.4 -0.600 30.2 -88.5-115.5 172.8 10.4 31.0 53.0 52 56 A A - 0 0 1 47,-0.2 47,-2.6 -2,-0.2 17,-0.2 -0.632 24.7-176.3 -85.7 130.1 9.9 29.5 56.4 53 57 A D S S+ 0 0 24 -2,-0.4 2,-0.4 102,-0.3 -1,-0.1 0.394 70.6 64.6 -98.6 -3.4 12.7 29.7 59.1 54 58 A E - 0 0 79 98,-0.2 101,-0.2 101,-0.2 45,-0.1 -0.993 53.6-172.5-128.8 128.1 10.9 27.5 61.6 55 59 A R + 0 0 48 -2,-0.4 12,-3.0 13,-0.1 2,-0.6 0.764 65.7 80.8 -84.1 -30.7 10.1 23.8 61.2 56 60 A Y E -C 66 0A 30 10,-0.2 10,-0.2 11,-0.1 -1,-0.1 -0.712 54.1-173.7 -97.0 116.4 8.0 23.3 64.3 57 61 A L E -C 65 0A 13 8,-2.3 8,-3.0 -2,-0.6 2,-0.2 -0.918 25.1-128.7-106.1 121.8 4.3 24.4 64.4 58 62 A P E -C 64 0A 72 0, 0.0 166,-0.4 0, 0.0 6,-0.2 -0.516 25.2-156.7 -66.9 132.4 2.5 24.1 67.8 59 63 A T > - 0 0 8 4,-2.5 3,-1.6 -2,-0.2 164,-0.2 -0.472 34.0 -91.8-100.8-178.7 -0.8 22.2 67.6 60 64 A D T 3 S+ 0 0 95 162,-2.3 163,-0.1 1,-0.3 4,-0.1 0.572 122.2 49.9 -76.8 -8.6 -3.7 22.4 69.9 61 65 A N T 3 S- 0 0 85 2,-0.2 -1,-0.3 161,-0.2 3,-0.1 0.234 120.3-100.7-107.9 11.6 -2.6 19.7 72.3 62 66 A G S < S+ 0 0 49 -3,-1.6 2,-0.2 1,-0.3 -2,-0.1 0.225 83.6 125.8 89.4 -17.7 0.9 21.0 72.7 63 67 A K - 0 0 72 157,-0.2 -4,-2.5 -5,-0.1 2,-0.4 -0.529 58.7-126.0 -69.6 145.2 2.6 18.6 70.3 64 68 A L E -bC 14 58A 34 -51,-2.7 -49,-2.6 -6,-0.2 2,-0.6 -0.760 10.3-137.5 -95.1 134.0 4.7 20.2 67.6 65 69 A F E -bC 15 57A 0 -8,-3.0 -8,-2.3 -2,-0.4 2,-1.3 -0.822 17.2-135.9 -85.8 122.4 4.0 19.3 63.9 66 70 A S E + C 0 56A 0 -51,-3.0 -10,-0.2 -2,-0.6 -11,-0.1 -0.697 56.6 129.8 -82.5 95.9 7.4 18.9 62.2 67 71 A T + 0 0 0 -12,-3.0 2,-0.3 -2,-1.3 35,-0.2 0.112 23.0 158.2-121.4-130.9 6.6 20.8 59.0 68 72 A G - 0 0 0 33,-0.1 84,-2.3 -2,-0.0 85,-0.4 -0.896 62.0 -20.9 131.0-166.5 8.3 23.6 57.0 69 73 A N B -j 100 0C 2 30,-2.7 32,-2.7 -2,-0.3 81,-0.3 -0.602 68.6-114.5 -73.1 142.5 7.9 24.7 53.3 70 74 A H > - 0 0 9 79,-1.8 4,-2.0 -2,-0.3 5,-0.2 -0.669 20.7-147.2 -75.4 118.2 6.4 22.0 51.0 71 75 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.800 94.5 50.3 -64.7 -27.5 9.2 21.2 48.5 72 76 A I H > S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 33,-0.0 0.940 111.5 48.3 -71.5 -48.5 6.8 20.5 45.6 73 77 A E H 4 S+ 0 0 1 1,-0.2 -1,-0.2 2,-0.2 5,-0.1 0.842 119.8 38.7 -58.7 -34.8 5.0 23.7 46.1 74 78 A T H X S+ 0 0 0 -4,-2.0 4,-1.0 2,-0.1 -2,-0.2 0.921 119.9 40.7 -88.5 -34.1 8.3 25.6 46.3 75 79 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -3,-0.2 0.835 106.8 58.7 -84.9 -32.7 10.4 23.9 43.7 76 80 A L H X S+ 0 0 2 -4,-2.2 4,-2.0 -5,-0.3 5,-0.2 0.955 109.1 42.2 -66.1 -49.3 7.9 23.3 40.8 77 81 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.898 116.5 51.1 -62.0 -34.6 6.9 27.0 40.2 78 82 A L H X S+ 0 0 0 -4,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.841 105.9 55.1 -72.2 -34.7 10.6 27.9 40.6 79 83 A Y H X S+ 0 0 48 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.952 111.9 43.0 -59.4 -49.4 11.6 25.3 38.0 80 84 A H H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.905 115.2 49.5 -62.3 -43.2 9.2 26.8 35.4 81 85 A L H <>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 -1,-0.2 0.904 109.7 50.0 -68.3 -39.4 10.2 30.3 36.3 82 86 A H H ><5S+ 0 0 62 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.896 109.6 52.5 -62.4 -40.0 13.9 29.6 36.1 83 87 A A H 3<5S+ 0 0 34 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.827 106.5 54.0 -64.3 -31.7 13.3 27.9 32.7 84 88 A A T 3<5S- 0 0 0 -4,-1.5 -43,-3.0 2,-0.2 -1,-0.3 0.389 131.6 -94.9 -84.0 -0.6 11.5 31.1 31.6 85 89 A G T < 5S+ 0 0 22 -3,-1.4 2,-0.7 -45,-0.2 -3,-0.2 0.482 86.8 123.4 104.8 5.1 14.6 33.2 32.6 86 90 A F < - 0 0 0 -5,-2.8 -1,-0.2 -6,-0.1 -40,-0.2 -0.867 40.5-165.5-102.7 105.6 13.7 34.2 36.1 87 91 A E - 0 0 111 -2,-0.7 -40,-2.6 -42,-0.4 2,-0.3 -0.318 16.3-134.3 -74.7 170.7 16.3 33.2 38.7 88 92 A F E -e 47 0B 4 -42,-0.3 2,-0.3 -2,-0.1 -40,-0.2 -0.880 16.6-162.8-131.0 160.2 15.4 33.4 42.4 89 93 A E E -e 48 0B 35 -42,-2.4 -40,-3.0 -2,-0.3 2,-0.4 -0.972 20.6-135.1-134.9 152.2 16.7 34.6 45.8 90 94 A V E -e 49 0B 3 32,-0.3 37,-2.7 -2,-0.3 2,-0.4 -0.866 18.4-178.5-117.1 137.9 15.4 33.5 49.2 91 95 A A E -ef 50 127B 0 -42,-3.1 -40,-2.6 -2,-0.4 2,-0.3 -0.988 3.7-170.6-127.9 143.2 14.6 35.5 52.3 92 96 A T E - f 0 128B 0 35,-2.2 37,-2.9 -2,-0.4 38,-0.2 -0.880 35.6-113.8-121.6 166.3 13.4 34.5 55.7 93 97 A I S S+ 0 0 36 -42,-0.5 37,-0.4 -2,-0.3 -1,-0.1 0.929 116.4 31.4 -65.0 -45.9 12.2 36.7 58.5 94 98 A S S S- 0 0 49 2,-0.1 -1,-0.2 34,-0.1 34,-0.1 0.717 105.7-119.1 -79.7 -23.7 15.1 35.8 60.8 95 99 A G S S+ 0 0 25 1,-0.4 2,-0.1 32,-0.3 33,-0.1 0.357 71.3 134.0 90.4 -4.8 17.7 35.2 58.2 96 100 A L - 0 0 106 1,-0.2 -1,-0.4 29,-0.1 -2,-0.1 -0.434 67.1 -73.7 -75.8 160.6 18.0 31.6 59.4 97 101 A X - 0 0 83 27,-0.2 27,-0.2 1,-0.1 -1,-0.2 -0.074 53.7 -95.1 -55.0 144.9 18.1 28.8 56.8 98 102 A T - 0 0 6 25,-2.7 2,-0.6 -3,-0.1 -45,-0.2 -0.320 35.1-143.1 -55.7 137.2 14.9 27.7 55.0 99 103 A K - 0 0 26 -47,-2.6 -30,-2.7 -45,-0.1 -47,-0.2 -0.952 20.5-167.3-111.8 114.2 13.2 24.7 56.7 100 104 A F B -j 69 0C 2 -2,-0.6 2,-1.3 -32,-0.3 -30,-0.2 -0.620 32.6-117.6 -96.0 156.7 11.7 22.2 54.3 101 105 A E > - 0 0 1 -32,-2.7 3,-2.1 -2,-0.2 4,-0.2 -0.766 36.5-178.4 -81.8 86.4 9.3 19.3 54.8 102 106 A Y G > S+ 0 0 115 -2,-1.3 3,-1.7 1,-0.3 -1,-0.2 0.781 72.9 72.0 -67.7 -20.0 11.9 16.8 53.6 103 107 A W G 3 S+ 0 0 41 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.560 99.1 48.0 -69.4 -8.4 9.4 14.0 54.0 104 108 A A G < S+ 0 0 3 -3,-2.1 -77,-0.3 -78,-0.1 -1,-0.3 0.259 81.5 125.9-109.9 6.0 7.6 15.4 51.0 105 109 A X < - 0 0 12 -3,-1.7 2,-2.2 -4,-0.2 3,-0.1 -0.525 67.1-128.2 -68.5 127.6 10.7 15.7 48.8 106 110 A P > + 0 0 0 0, 0.0 3,-2.4 0, 0.0 7,-0.3 -0.480 35.8 179.3 -76.7 76.5 10.3 13.8 45.4 107 111 A H T 3 S+ 0 0 108 -2,-2.2 -78,-0.1 1,-0.3 -2,-0.0 0.630 73.3 46.1 -64.1 -17.3 13.5 12.0 46.0 108 112 A K T 3 S+ 0 0 139 -80,-2.1 2,-0.6 -3,-0.1 -1,-0.3 0.335 79.5 122.0-104.1 5.2 13.4 9.9 42.8 109 113 A D <> - 0 0 12 -3,-2.4 4,-1.7 -81,-0.6 -80,-0.1 -0.580 49.9-157.6 -76.6 116.8 12.5 12.8 40.5 110 114 A E T 4 S+ 0 0 176 -2,-0.6 -1,-0.2 1,-0.2 -81,-0.0 0.568 89.1 35.0 -75.0 -9.9 15.2 13.1 37.9 111 115 A K T > S+ 0 0 94 3,-0.1 4,-1.4 2,-0.1 -1,-0.2 0.771 119.1 44.6-104.9 -48.7 14.5 16.7 37.1 112 116 A V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.910 108.4 56.4 -67.8 -43.1 13.5 18.3 40.5 113 117 A X H X S+ 0 0 33 -4,-1.7 4,-2.5 -7,-0.3 5,-0.2 0.943 107.8 46.7 -57.1 -50.7 16.3 16.7 42.5 114 118 A P H > S+ 0 0 73 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.857 112.0 53.3 -57.3 -34.4 19.1 18.1 40.3 115 119 A F H X S+ 0 0 15 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.942 110.3 46.9 -66.0 -45.5 17.4 21.5 40.5 116 120 A F H X S+ 0 0 14 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.916 112.3 49.4 -60.2 -46.9 17.3 21.3 44.3 117 121 A E H < S+ 0 0 94 -4,-2.5 4,-0.3 1,-0.2 3,-0.2 0.932 111.5 50.0 -60.9 -43.4 21.0 20.2 44.5 118 122 A Q H < S+ 0 0 133 -4,-2.6 -1,-0.2 1,-0.2 3,-0.2 0.888 125.0 26.7 -60.1 -39.2 22.0 23.0 42.2 119 123 A H H >X S+ 0 0 18 -4,-2.0 3,-1.9 1,-0.2 4,-0.8 0.425 83.9 106.0-110.7 0.9 20.1 25.7 44.2 120 124 A K H >X S+ 0 0 89 -4,-2.0 4,-2.6 1,-0.3 3,-0.5 0.798 75.4 65.7 -56.5 -29.5 19.9 24.3 47.8 121 125 A S H 3> S+ 0 0 69 -4,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.837 95.5 56.7 -58.7 -35.1 22.6 26.9 48.8 122 126 A L H <4 S+ 0 0 64 -3,-1.9 -32,-0.3 1,-0.2 -1,-0.2 0.841 112.1 41.5 -66.5 -33.4 20.1 29.7 48.1 123 127 A F H << S+ 0 0 4 -4,-0.8 -25,-2.7 -3,-0.5 -2,-0.2 0.859 116.4 48.1 -79.5 -39.0 17.6 28.2 50.6 124 128 A R H < S+ 0 0 172 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.783 120.4 37.5 -73.4 -28.8 20.2 27.3 53.2 125 129 A N S < S+ 0 0 116 -4,-2.1 -1,-0.3 -5,-0.2 -35,-0.1 -0.541 83.8 162.6-122.7 66.6 21.8 30.8 53.0 126 130 A P - 0 0 21 0, 0.0 -35,-0.3 0, 0.0 2,-0.1 -0.244 38.2-108.2 -80.7 167.7 18.9 33.2 52.6 127 131 A K E -f 91 0B 93 -37,-2.7 -35,-2.2 -5,-0.1 2,-0.5 -0.429 37.4-100.3 -81.3 165.2 18.9 37.0 53.2 128 132 A K E >> -f 92 0B 93 -37,-0.2 4,-1.6 1,-0.1 3,-1.3 -0.828 30.8-135.0 -84.5 127.4 17.0 38.5 56.1 129 133 A L H 3> S+ 0 0 0 -37,-2.9 4,-3.0 -2,-0.5 5,-0.2 0.868 102.4 57.0 -54.4 -42.3 13.8 39.8 54.7 130 134 A A H 3> S+ 0 0 32 -37,-0.4 4,-2.0 -38,-0.2 -1,-0.3 0.823 104.8 52.9 -57.7 -33.8 14.0 43.1 56.5 131 135 A D H <> S+ 0 0 106 -3,-1.3 4,-0.9 2,-0.2 -1,-0.2 0.892 110.0 47.6 -70.4 -39.9 17.4 43.8 54.8 132 136 A V H >< S+ 0 0 10 -4,-1.6 3,-1.0 1,-0.2 4,-0.4 0.957 112.7 49.8 -64.5 -46.8 15.9 43.1 51.4 133 137 A V H >< S+ 0 0 30 -4,-3.0 3,-1.8 1,-0.3 -2,-0.2 0.874 101.4 61.4 -59.4 -38.0 12.9 45.4 52.3 134 138 A A H 3< S+ 0 0 88 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.815 109.0 44.6 -61.6 -28.0 15.2 48.3 53.4 135 139 A S T << S+ 0 0 91 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.439 86.0 122.2 -93.9 -2.4 16.7 48.4 49.9 136 140 A L < + 0 0 27 -3,-1.8 2,-0.3 -4,-0.4 -3,-0.0 -0.375 27.7 142.9 -75.6 140.3 13.4 48.2 47.9 137 141 A N > - 0 0 85 -2,-0.1 3,-1.6 36,-0.0 -2,-0.0 -0.895 65.2 -72.3-155.6-173.3 12.5 50.9 45.5 138 142 A A T 3 S+ 0 0 55 1,-0.3 -2,-0.1 -2,-0.3 0, 0.0 0.725 128.1 46.2 -62.9 -21.9 10.9 51.4 42.0 139 143 A D T 3 S+ 0 0 135 2,-0.1 -1,-0.3 0, 0.0 -3,-0.1 0.399 77.3 138.4-104.3 0.6 13.9 49.9 40.2 140 144 A S < - 0 0 16 -3,-1.6 2,-1.7 1,-0.2 -4,-0.1 -0.198 59.9-123.6 -52.4 135.1 14.5 46.8 42.4 141 145 A E S S+ 0 0 100 -96,-0.1 -95,-2.1 -97,-0.1 2,-0.4 -0.277 73.8 114.2 -84.4 50.6 15.3 43.8 40.3 142 146 A Y E -d 46 0B 31 -2,-1.7 -95,-0.2 -97,-0.3 -97,-0.1 -0.994 39.8-177.2-118.0 125.0 12.5 41.6 41.7 143 147 A A E + 0 0 0 -97,-2.7 33,-2.2 -2,-0.4 2,-0.3 0.688 69.8 1.7 -90.6 -25.1 9.8 40.6 39.2 144 148 A A E -dg 47 176B 0 -98,-1.1 -96,-2.8 31,-0.2 2,-0.5 -0.985 57.5-128.5-155.4 161.8 7.7 38.8 41.8 145 149 A I E -dg 48 177B 0 31,-2.1 33,-3.1 -2,-0.3 2,-0.5 -0.987 28.6-164.8-114.1 128.5 7.3 37.8 45.4 146 150 A F E -dg 49 178B 0 -98,-3.1 -96,-2.4 -2,-0.5 33,-0.2 -0.978 10.2-172.5-117.9 124.3 6.7 34.1 45.9 147 151 A V E - g 0 179B 0 31,-2.7 33,-1.1 -2,-0.5 -96,-0.1 -0.863 16.2-156.0-114.8 96.2 5.3 32.6 49.1 148 152 A P - 0 0 0 0, 0.0 -74,-0.1 0, 0.0 33,-0.1 -0.279 13.8-125.0 -66.7 158.6 5.4 28.8 48.9 149 153 A G + 0 0 0 -79,-0.2 -79,-1.8 33,-0.1 32,-0.1 0.155 51.4 120.0 -92.0-150.9 3.1 26.8 51.1 150 154 A G S > S- 0 0 3 -81,-0.3 3,-1.9 1,-0.1 4,-0.2 -0.122 82.3 -83.2 93.9 152.1 3.6 24.0 53.6 151 155 A H G > S+ 0 0 7 1,-0.3 3,-1.4 2,-0.2 -82,-0.2 0.633 122.6 78.0 -71.2 -15.1 2.4 24.5 57.1 152 156 A G G > S+ 0 0 0 -84,-2.3 3,-1.5 1,-0.2 5,-0.3 0.735 80.7 69.0 -58.4 -24.7 5.7 26.3 57.9 153 157 A A G < S+ 0 0 0 -3,-1.9 -1,-0.2 -85,-0.4 -2,-0.2 0.690 89.1 64.8 -67.6 -18.9 4.1 29.3 56.1 154 158 A L G < S+ 0 0 13 -3,-1.4 2,-0.7 -4,-0.2 -1,-0.3 0.565 86.6 86.3 -77.4 -11.8 1.7 29.6 59.1 155 159 A I S < S- 0 0 31 -3,-1.5 2,-1.6 -101,-0.2 -102,-0.3 -0.837 112.7 -30.4 -99.9 115.1 4.6 30.4 61.4 156 160 A G S > S+ 0 0 35 -2,-0.7 3,-1.7 1,-0.2 4,-0.3 -0.201 117.2 86.8 82.9 -47.5 5.7 34.0 61.7 157 161 A L G > S+ 0 0 1 -2,-1.6 3,-1.6 -5,-0.3 -1,-0.2 0.882 83.2 56.3 -55.1 -48.8 4.8 35.1 58.2 158 162 A P G 3 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 33,-0.3 0.619 116.7 38.0 -60.7 -10.3 1.1 35.9 59.1 159 163 A E G < S+ 0 0 117 -3,-1.7 2,-0.5 31,-0.1 -2,-0.2 0.276 89.7 124.2-119.5 4.5 2.4 38.3 61.8 160 164 A S <> - 0 0 8 -3,-1.6 4,-2.3 -4,-0.3 5,-0.1 -0.649 43.9-166.5 -89.8 121.2 5.4 39.8 60.0 161 165 A Q H > S+ 0 0 167 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.850 96.5 55.3 -60.9 -38.3 5.9 43.5 59.5 162 166 A D H > S+ 0 0 39 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.903 107.7 48.5 -65.1 -39.2 8.7 42.7 57.0 163 167 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.943 110.7 50.9 -66.7 -46.2 6.3 40.5 55.0 164 168 A A H X S+ 0 0 17 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.929 111.1 48.5 -50.9 -52.1 3.7 43.3 55.0 165 169 A A H X S+ 0 0 41 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.866 111.1 50.0 -58.4 -42.0 6.3 45.8 53.7 166 170 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.928 112.2 46.7 -63.2 -46.9 7.4 43.5 51.0 167 171 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.875 110.1 53.3 -65.1 -40.6 3.9 42.8 49.7 168 172 A Q H X S+ 0 0 64 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.931 109.5 50.0 -60.9 -43.0 3.1 46.5 49.8 169 173 A W H X S+ 0 0 21 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.934 109.7 50.2 -56.7 -49.1 6.2 47.2 47.7 170 174 A A H <>S+ 0 0 0 -4,-2.3 5,-3.1 1,-0.2 -2,-0.2 0.923 114.8 42.7 -59.4 -45.3 5.2 44.5 45.1 171 175 A I H ><5S+ 0 0 41 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.934 113.3 51.2 -70.1 -44.6 1.6 45.9 44.7 172 176 A K H 3<5S+ 0 0 179 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.832 115.5 44.0 -57.8 -35.5 2.7 49.5 44.6 173 177 A N T 3<5S- 0 0 34 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.191 113.4-116.3-102.7 16.4 5.2 48.7 41.9 174 178 A D T < 5 + 0 0 104 -3,-1.6 -3,-0.2 1,-0.2 2,-0.2 0.861 63.5 147.4 55.8 41.1 2.9 46.5 39.9 175 179 A R < - 0 0 32 -5,-3.1 -31,-0.2 -6,-0.2 2,-0.2 -0.541 51.3 -88.8 -96.8 170.6 5.0 43.3 40.4 176 180 A F E -g 144 0B 6 -33,-2.2 -31,-2.1 -2,-0.2 2,-0.4 -0.500 27.7-160.6 -80.0 146.7 3.7 39.8 40.7 177 181 A V E -gh 145 253B 4 75,-2.4 77,-2.7 -33,-0.2 2,-0.4 -0.988 15.6-178.0-125.4 122.3 2.6 38.1 43.9 178 182 A I E +gh 146 254B 0 -33,-3.1 -31,-2.7 -2,-0.4 2,-0.3 -0.962 12.6 144.4-125.0 135.4 2.5 34.2 43.7 179 183 A S E -gh 147 255B 0 75,-2.0 77,-1.3 -2,-0.4 2,-0.3 -0.989 18.6-168.4-161.9 160.2 1.5 31.8 46.4 180 184 A L E > - h 0 256B 0 -33,-1.1 3,-2.4 -2,-0.3 2,-0.3 -0.994 53.2 -4.3-153.9 161.0 -0.3 28.5 47.0 181 185 A C T 3 S- 0 0 6 75,-1.9 24,-2.1 -2,-0.3 77,-0.1 -0.420 132.6 -10.3 65.5-116.0 -1.8 26.2 49.6 182 186 A H T > S+ 0 0 0 -2,-0.3 3,-2.1 22,-0.2 -1,-0.3 0.489 113.8 97.2 -89.0 -5.2 -1.2 27.8 53.1 183 187 A G G X S+ 0 0 0 -3,-2.4 3,-2.6 1,-0.3 4,-0.2 0.860 70.4 66.2 -49.0 -44.8 1.2 30.4 51.6 184 188 A P G > S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.600 77.9 82.8 -61.2 -9.9 -1.5 33.0 51.4 185 189 A A G X S+ 0 0 0 -3,-2.1 3,-1.5 1,-0.3 4,-0.2 0.762 79.2 69.4 -58.9 -26.9 -1.6 33.1 55.2 186 190 A A G X S+ 0 0 0 -3,-2.6 3,-1.9 1,-0.3 -1,-0.3 0.780 83.8 69.7 -60.3 -26.1 1.4 35.4 54.7 187 191 A F G X S+ 0 0 0 -3,-1.7 3,-2.0 1,-0.3 -1,-0.3 0.735 80.8 75.4 -65.2 -22.3 -1.1 37.9 53.3 188 192 A L G X S+ 0 0 0 -3,-1.5 3,-1.9 -4,-0.3 -1,-0.3 0.682 73.5 81.3 -60.2 -18.5 -2.5 38.2 56.9 189 193 A A G < S+ 0 0 5 -3,-1.9 3,-0.5 1,-0.3 -1,-0.3 0.716 84.2 62.1 -60.9 -18.7 0.6 40.3 57.7 190 194 A L G X S+ 0 0 4 -3,-2.0 3,-1.0 1,-0.2 5,-0.5 0.376 71.2 104.5 -87.8 6.2 -1.3 43.2 56.1 191 195 A R T < S+ 0 0 93 -3,-1.9 -1,-0.2 -33,-0.3 -2,-0.1 0.749 76.4 51.9 -62.7 -27.1 -4.1 43.1 58.8 192 196 A H T 3 S+ 0 0 159 -3,-0.5 -1,-0.2 -4,-0.2 -2,-0.1 0.692 108.8 47.8 -84.4 -21.7 -2.9 46.2 60.7 193 197 A G S < S- 0 0 52 -3,-1.0 -3,-0.0 -4,-0.1 -29,-0.0 -0.012 108.8 -60.7-108.8-154.0 -2.7 48.6 57.8 194 198 A D - 0 0 132 -2,-0.0 4,-0.1 2,-0.0 -3,-0.1 0.504 66.4-136.2 -78.7 -4.4 -4.5 49.9 54.8 195 199 A N > - 0 0 22 -5,-0.5 3,-1.5 1,-0.1 -4,-0.1 0.945 21.2-166.9 52.6 78.8 -4.7 46.5 53.1 196 200 A P T 3 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.513 85.5 63.0 -71.0 -5.6 -3.8 46.7 49.4 197 201 A L T > S+ 0 0 2 -10,-0.1 3,-2.1 37,-0.1 -2,-0.1 0.365 71.1 129.6 -99.1 3.8 -5.1 43.1 48.9 198 202 A N T < S+ 0 0 105 -3,-1.5 38,-0.2 1,-0.3 37,-0.2 -0.333 76.4 18.0 -52.0 132.6 -8.6 44.0 49.9 199 203 A G T 3 S+ 0 0 36 36,-3.0 -1,-0.3 1,-0.3 37,-0.2 0.259 93.1 134.4 89.5 -12.7 -11.0 42.7 47.2 200 204 A Y < - 0 0 33 -3,-2.1 37,-2.9 1,-0.1 2,-0.4 -0.402 46.5-138.9 -78.3 149.0 -8.5 40.3 45.6 201 205 A S E +k 237 0D 26 35,-0.2 2,-0.3 -3,-0.1 37,-0.2 -0.891 27.4 167.7-110.0 140.9 -9.5 36.7 44.7 202 206 A I E -k 238 0D 0 35,-2.7 37,-2.6 -2,-0.4 38,-0.4 -0.926 36.1-122.5-143.6 158.6 -7.4 33.6 45.3 203 207 A C + 0 0 0 -2,-0.3 53,-0.3 45,-0.2 2,-0.3 -0.851 43.4 162.4 -92.7 145.2 -7.2 29.8 45.4 204 208 A A - 0 0 0 -2,-0.4 -22,-0.2 38,-0.2 53,-0.1 -0.972 47.3 -78.1-154.5 164.1 -6.0 28.5 48.7 205 209 A F - 0 0 29 -24,-2.1 2,-0.2 -2,-0.3 23,-0.2 -0.538 57.5-112.2 -64.4 127.5 -5.9 25.3 50.8 206 210 A P >> - 0 0 15 0, 0.0 3,-1.1 0, 0.0 4,-0.8 -0.457 11.6-139.4 -68.4 131.4 -9.4 24.8 52.3 207 211 A D G >4 S+ 0 0 24 1,-0.3 3,-0.7 -2,-0.2 4,-0.4 0.840 101.2 65.4 -54.6 -36.0 -9.5 25.1 56.1 208 212 A A G >4 S+ 0 0 64 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.855 95.4 56.1 -56.9 -38.1 -11.9 22.1 56.2 209 213 A A G X> S+ 0 0 23 -3,-1.1 3,-1.3 1,-0.2 4,-0.8 0.821 99.0 61.3 -64.6 -32.0 -9.2 19.8 54.9 210 214 A D G << S+ 0 0 0 -4,-0.8 13,-0.4 -3,-0.7 -1,-0.2 0.541 99.4 56.9 -70.0 -13.3 -6.9 20.8 57.9 211 215 A K G <4 S+ 0 0 104 -3,-1.2 -1,-0.3 -4,-0.4 4,-0.2 0.527 104.2 51.4 -94.0 -9.1 -9.5 19.4 60.2 212 216 A Q T <> S+ 0 0 130 -3,-1.3 4,-0.7 -4,-0.3 -2,-0.2 0.608 96.4 71.0 -99.2 -18.6 -9.5 15.9 58.6 213 217 A T T <>S+ 0 0 9 -4,-0.8 5,-1.8 1,-0.2 6,-0.6 0.766 84.5 61.6 -63.8 -45.5 -5.6 15.5 58.8 214 218 A P T >45S+ 0 0 21 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.921 99.5 57.7 -65.9 -33.7 -5.0 15.0 62.5 215 219 A E T 345S+ 0 0 165 1,-0.3 -2,-0.2 -4,-0.2 -3,-0.1 0.887 109.0 44.4 -60.0 -39.1 -7.2 11.8 62.6 216 220 A I T 3<5S- 0 0 28 -4,-0.7 -195,-0.4 -3,-0.3 -1,-0.3 0.405 120.6-111.3 -87.7 3.5 -5.1 10.0 60.0 217 221 A G T < 5S+ 0 0 0 -3,-1.5 -199,-1.7 -4,-0.4 -211,-0.3 0.599 79.0 129.8 84.3 13.4 -1.9 11.3 61.7 218 222 A Y S - 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0 0 3 -5,-2.1 2,-0.6 -38,-0.2 -1,-0.3 -0.698 51.1-131.5 -98.6 151.4 -10.1 38.6 50.3 237 241 A N E -k 201 0D 82 -37,-2.9 -35,-2.7 -2,-0.3 2,-0.7 -0.910 9.6-159.3-105.1 124.2 -12.2 36.2 48.3 238 242 A I E -k 202 0D 34 -2,-0.6 -35,-0.2 -37,-0.2 -37,-0.1 -0.907 7.0-169.2-100.9 114.6 -11.3 32.5 48.3 239 243 A I + 0 0 58 -37,-2.6 2,-0.3 -2,-0.7 -36,-0.2 0.704 60.8 62.4 -82.7 -19.6 -12.9 31.0 45.2 240 244 A N - 0 0 11 -38,-0.4 -36,-0.1 1,-0.1 -38,-0.0 -0.824 44.3-177.5-111.7 147.6 -12.5 27.3 45.9 241 245 A D S S+ 0 0 132 -2,-0.3 2,-0.2 -35,-0.1 -1,-0.1 0.292 73.9 47.0-118.4 5.3 -13.8 25.1 48.7 242 246 A D S S- 0 0 72 -38,-0.1 2,-0.5 -34,-0.0 -38,-0.2 -0.725 83.8-102.6-138.5-179.6 -12.0 21.9 47.6 243 247 A I + 0 0 63 -2,-0.2 -38,-0.1 1,-0.1 15,-0.0 -0.965 55.1 132.4-115.5 113.4 -8.7 20.6 46.4 244 248 A T S S- 0 0 88 -2,-0.5 -1,-0.1 2,-0.1 14,-0.0 0.295 80.0 -96.7-139.3 1.1 -8.4 20.0 42.6 245 249 A G + 0 0 15 1,-0.2 19,-0.1 18,-0.0 -2,-0.1 0.680 67.8 168.5 80.3 17.5 -5.1 21.6 41.7 246 250 A R - 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