==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-JAN-11 3QAE . COMPND 2 MOLECULE: 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR L.ZHANG,L.FENG,L.ZHOU,J.GUI,J.WAN . 370 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18371.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 1 0 1 1 1 1 3 0 0 1 0 0 0 1 1 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 1 0 3 1 0 2 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 . 0 1 2 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 3 A I 0 0 133 0, 0.0 20,-0.0 0, 0.0 16,-0.0 0.000 360.0 360.0 360.0 142.8 76.0 18.3 93.4 2 4 A S - 0 0 68 1,-0.1 0, 0.0 3,-0.0 0, 0.0 -0.245 360.0-166.2 -62.0 142.8 74.4 20.4 96.1 3 5 A W > + 0 0 13 2,-0.0 3,-1.7 59,-0.0 4,-0.2 0.506 49.1 118.2-103.9 -12.1 73.5 24.0 95.4 4 6 A N T 3 S+ 0 0 128 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 -0.257 73.5 29.8 -64.6 146.8 72.9 25.1 98.9 5 7 A G T 3> S+ 0 0 42 4,-0.0 4,-2.4 3,-0.0 -1,-0.3 0.353 85.5 118.9 82.9 -4.6 75.2 27.9 100.2 6 8 A F T <4 S+ 0 0 19 -3,-1.7 -2,-0.1 1,-0.2 8,-0.1 0.890 72.9 50.2 -58.0 -42.9 75.4 29.1 96.6 7 9 A S T 4 S+ 0 0 83 -4,-0.2 -1,-0.2 1,-0.2 7,-0.1 0.886 115.3 41.5 -62.1 -42.4 73.8 32.4 97.6 8 10 A K T 4 S+ 0 0 200 2,-0.0 -2,-0.2 6,-0.0 -1,-0.2 0.738 95.5 98.2 -82.4 -24.6 76.3 33.0 100.5 9 11 A K S < S- 0 0 72 -4,-2.4 2,-0.1 1,-0.1 -4,-0.0 -0.149 83.5-101.0 -54.2 157.3 79.3 31.7 98.5 10 12 A S > - 0 0 53 1,-0.1 4,-3.2 4,-0.0 5,-0.2 -0.375 32.8-101.7 -77.6 163.1 81.6 34.3 96.9 11 13 A Y H > S+ 0 0 133 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.881 125.9 46.8 -49.8 -46.1 81.4 35.2 93.2 12 14 A Q H > S+ 0 0 131 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.906 112.9 49.0 -62.7 -43.3 84.6 33.1 92.7 13 15 A E H > S+ 0 0 92 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.877 108.7 52.8 -68.0 -39.2 83.2 30.2 94.7 14 16 A R H X S+ 0 0 88 -4,-3.2 4,-2.9 2,-0.2 -1,-0.2 0.918 109.1 50.4 -57.7 -46.5 79.9 30.3 92.8 15 17 A L H X S+ 0 0 22 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.842 111.0 48.4 -60.9 -36.3 81.8 30.1 89.5 16 18 A E H X S+ 0 0 94 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.857 112.0 48.9 -72.9 -37.7 83.8 27.1 90.8 17 19 A L H X S+ 0 0 20 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.921 111.1 49.7 -64.9 -45.6 80.5 25.4 92.0 18 20 A L H X>S+ 0 0 3 -4,-2.9 5,-0.9 1,-0.2 4,-0.6 0.909 110.7 50.9 -57.0 -42.2 79.0 26.1 88.5 19 21 A K H ><5S+ 0 0 113 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.906 106.8 54.3 -61.1 -42.9 82.2 24.6 87.0 20 22 A A H 3<5S+ 0 0 55 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.779 101.1 58.9 -61.2 -31.4 81.7 21.5 89.3 21 23 A Q H 3<5S- 0 0 38 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.675 100.0-142.7 -70.9 -17.9 78.2 21.1 88.0 22 24 A A T <<5 + 0 0 82 -3,-1.3 -3,-0.2 -4,-0.6 -2,-0.1 0.852 52.9 140.1 56.3 40.5 79.7 20.8 84.5 23 25 A L < + 0 0 64 -5,-0.9 2,-0.4 2,-0.1 318,-0.2 0.715 55.9 57.3 -83.0 -21.2 76.9 22.7 82.8 24 26 A L S S- 0 0 21 -6,-0.3 311,-0.0 -5,-0.1 -2,-0.0 -0.875 82.6-115.4-117.9 145.5 79.1 24.6 80.4 25 27 A S > - 0 0 57 -2,-0.4 4,-2.6 1,-0.1 5,-0.3 -0.179 43.8 -99.0 -60.2 161.7 81.6 23.7 77.7 26 28 A P H > S+ 0 0 119 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.916 124.3 48.7 -51.1 -46.3 85.2 24.7 78.3 27 29 A E H > S+ 0 0 158 2,-0.2 4,-3.1 1,-0.2 5,-0.1 0.906 113.0 45.9 -60.3 -47.2 84.9 27.8 76.1 28 30 A R H > S+ 0 0 66 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.889 112.5 50.3 -66.9 -40.2 81.6 29.0 77.7 29 31 A Q H X S+ 0 0 12 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.910 114.0 45.6 -62.4 -42.0 82.9 28.5 81.2 30 32 A A H X S+ 0 0 46 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.946 110.7 53.4 -65.5 -48.9 86.0 30.5 80.2 31 33 A S H <>S+ 0 0 6 -4,-3.1 5,-3.0 1,-0.2 -2,-0.2 0.911 113.8 43.4 -48.3 -49.1 83.8 33.1 78.5 32 34 A L H ><5S+ 0 0 16 -4,-2.7 3,-1.3 3,-0.2 -1,-0.2 0.863 109.8 56.6 -66.4 -37.3 81.8 33.4 81.8 33 35 A E H 3<5S+ 0 0 78 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.786 111.7 41.2 -72.3 -28.3 85.0 33.4 84.0 34 36 A K T 3<5S- 0 0 147 -4,-2.2 -1,-0.3 -3,-0.1 -2,-0.2 0.258 113.1-123.8 -94.6 13.5 86.5 36.4 82.2 35 37 A D T < 5 - 0 0 77 -3,-1.3 -3,-0.2 -5,-0.2 -2,-0.1 0.866 32.0-155.4 46.5 46.7 82.9 37.9 82.2 36 38 A E < - 0 0 72 -5,-3.0 2,-0.2 -6,-0.2 -1,-0.2 -0.294 12.0-163.6 -54.8 121.7 83.1 38.3 78.5 37 39 A Q - 0 0 86 -3,-0.2 2,-0.4 294,-0.1 -1,-0.1 -0.657 30.7 -91.9-101.6 161.2 80.7 41.1 77.5 38 40 A M - 0 0 31 -2,-0.2 292,-0.1 1,-0.1 -1,-0.0 -0.628 54.5-122.2 -67.4 129.2 79.2 42.0 74.1 39 41 A S > - 0 0 57 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.218 12.3-112.7 -75.0 163.6 81.6 44.5 72.6 40 42 A V H > S+ 0 0 76 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.886 118.1 56.2 -59.6 -41.0 80.8 48.1 71.5 41 43 A T H > S+ 0 0 100 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.933 111.7 41.7 -58.6 -47.4 81.5 47.1 67.9 42 44 A V H >> S+ 0 0 31 1,-0.2 4,-1.6 2,-0.2 3,-1.0 0.927 113.4 53.4 -65.8 -44.4 78.9 44.3 68.1 43 45 A A H 3X S+ 0 0 8 -4,-2.9 4,-2.4 1,-0.3 -2,-0.2 0.870 103.4 58.6 -52.4 -41.0 76.5 46.7 70.1 44 46 A D H 3< S+ 0 0 95 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.745 105.2 49.5 -63.6 -27.5 77.0 49.2 67.2 45 47 A Q H << S+ 0 0 124 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.840 112.6 46.8 -78.2 -37.4 75.6 46.6 64.8 46 48 A L H < S+ 0 0 56 -4,-1.6 -2,-0.2 279,-0.1 2,-0.2 0.931 121.2 20.0 -69.3 -49.4 72.5 45.8 66.9 47 49 A S S < S- 0 0 64 -4,-2.4 3,-0.3 -5,-0.1 2,-0.2 -0.522 76.8-112.3-117.8-179.9 71.4 49.3 67.7 48 50 A E S S+ 0 0 147 1,-0.2 3,-0.2 -2,-0.2 -3,-0.1 -0.700 88.9 22.2-114.8 166.5 71.8 52.9 66.4 49 51 A N S S- 0 0 163 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.828 82.1-177.6 45.7 38.0 73.6 56.0 67.7 50 52 A V + 0 0 33 -3,-0.3 -1,-0.2 -6,-0.2 3,-0.1 -0.515 23.4 162.8 -72.7 125.2 75.6 53.6 69.9 51 53 A V - 0 0 148 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.262 66.5 -38.6-123.0 3.9 78.1 55.4 72.2 52 54 A G - 0 0 33 -12,-0.1 2,-0.3 -13,-0.1 -1,-0.2 -0.981 66.5 -79.5 170.3-158.3 78.8 52.5 74.6 53 55 A T - 0 0 77 -2,-0.3 2,-0.4 -3,-0.1 -13,-0.1 -0.908 25.9-138.6-134.6 165.4 77.3 49.6 76.4 54 56 A F - 0 0 171 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.990 15.3-151.1-133.0 130.3 75.2 49.1 79.5 55 57 A S + 0 0 80 -2,-0.4 -18,-0.0 -18,-0.0 -2,-0.0 -0.816 15.0 174.0-111.6 143.9 75.7 46.3 82.1 56 58 A L - 0 0 75 -2,-0.3 22,-0.1 1,-0.0 2,-0.0 -0.824 44.1 -80.3-131.4 166.7 73.3 44.6 84.5 57 59 A P - 0 0 67 0, 0.0 2,-0.5 0, 0.0 20,-0.2 -0.352 34.1-149.9 -70.1 156.2 73.8 41.7 86.9 58 60 A Y + 0 0 47 18,-0.2 2,-0.2 -2,-0.0 18,-0.2 -0.983 27.0 170.6-128.3 116.8 73.8 38.1 85.5 59 61 A S E -A 75 0A 39 16,-2.9 16,-2.2 -2,-0.5 2,-0.4 -0.706 28.0-121.5-124.4 171.8 72.6 35.5 88.0 60 62 A L E -A 74 0A 20 14,-0.2 27,-0.1 -2,-0.2 -2,-0.0 -0.961 8.4-166.2-121.4 133.6 71.6 31.9 88.3 61 63 A V E -A 73 0A 0 12,-3.7 12,-3.5 -2,-0.4 3,-0.3 -0.957 27.7-162.0-109.4 105.1 68.3 30.4 89.5 62 64 A P E + 0 0 11 0, 0.0 10,-0.2 0, 0.0 28,-0.1 -0.462 55.3 31.5 -90.0 162.9 69.1 26.7 90.0 63 65 A E E + 0 0 21 1,-0.2 2,-0.9 8,-0.1 31,-0.2 0.848 61.8 164.7 68.4 40.5 66.8 23.6 90.3 64 66 A V E -A 71 0A 1 7,-2.5 7,-2.4 -3,-0.3 2,-0.7 -0.818 21.6-159.9 -87.8 105.7 63.9 24.7 88.1 65 67 A L E +A 70 0A 30 -2,-0.9 34,-3.4 25,-0.3 2,-0.5 -0.816 15.8 173.2 -95.8 113.7 62.1 21.4 87.5 66 68 A V E > S-Ab 69 99A 6 3,-2.9 3,-1.6 -2,-0.7 34,-0.2 -0.977 72.3 -21.9-125.5 114.7 59.9 21.5 84.4 67 69 A N T 3 S- 0 0 83 32,-2.6 -1,-0.1 -2,-0.5 33,-0.1 0.868 127.4 -51.0 53.0 40.8 58.2 18.3 83.3 68 70 A G T 3 S+ 0 0 68 31,-0.4 2,-0.4 29,-0.3 -1,-0.3 0.568 117.8 110.4 75.4 8.9 60.8 16.2 85.1 69 71 A Q E < -A 66 0A 109 -3,-1.6 -3,-2.9 -5,-0.0 2,-0.4 -0.973 59.7-142.8-116.1 129.0 63.7 18.0 83.6 70 72 A E E -A 65 0A 67 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.744 18.3-172.3 -96.3 135.7 65.9 20.2 85.8 71 73 A Y E -A 64 0A 34 -7,-2.4 -7,-2.5 -2,-0.4 2,-0.7 -0.922 27.2-137.9-124.0 150.6 67.3 23.5 84.5 72 74 A T E - 0 0 8 267,-0.4 -2,-0.0 -2,-0.3 -12,-0.0 -0.956 36.9-150.0 -98.9 111.0 69.8 26.1 85.9 73 75 A V E -A 61 0A 0 -12,-3.5 -12,-3.7 -2,-0.7 2,-0.3 -0.720 2.7-138.8 -95.0 128.5 68.0 29.3 84.8 74 76 A P E -A 60 0A 0 0, 0.0 2,-0.4 0, 0.0 -14,-0.2 -0.670 20.6-169.7 -84.3 139.9 69.8 32.6 83.9 75 77 A Y E -A 59 0A 0 -16,-2.2 -16,-2.9 -2,-0.3 2,-0.5 -0.972 16.4-164.2-127.0 142.7 68.4 35.9 85.2 76 78 A V + 0 0 17 193,-0.4 2,-0.3 -2,-0.4 196,-0.2 -0.908 34.4 142.9-123.9 102.5 69.3 39.5 84.4 77 79 A T - 0 0 14 -2,-0.5 6,-0.1 -20,-0.2 -2,-0.1 -0.999 44.4-159.1-143.0 147.3 67.8 41.9 86.9 78 80 A E + 0 0 136 -2,-0.3 -1,-0.1 -22,-0.1 -2,-0.0 0.409 68.0 103.2 -96.0 -2.8 68.7 45.1 88.8 79 81 A E S > S- 0 0 65 186,-0.1 3,-1.2 1,-0.1 4,-0.5 -0.752 74.2-120.7 -95.0 120.5 66.2 44.5 91.6 80 82 A P T 3 S+ 0 0 107 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.285 92.9 9.7 -50.4 133.3 67.3 43.3 95.0 81 83 A S T 3> S+ 0 0 85 1,-0.1 4,-2.4 4,-0.0 5,-0.2 0.155 92.0 109.1 82.3 -13.4 65.8 39.9 96.1 82 84 A V H <> S+ 0 0 4 -3,-1.2 4,-1.8 2,-0.2 5,-0.1 0.929 87.0 39.7 -56.6 -46.5 64.2 39.0 92.8 83 85 A V H > S+ 0 0 27 -4,-0.5 4,-2.9 2,-0.2 5,-0.3 0.936 113.7 53.1 -69.2 -47.2 66.7 36.2 92.2 84 86 A A H > S+ 0 0 57 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.882 112.1 47.3 -52.5 -41.7 66.8 35.1 95.9 85 87 A A H X S+ 0 0 26 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.855 111.8 48.0 -72.2 -40.3 63.0 34.8 95.7 86 88 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.887 114.0 48.3 -65.3 -42.5 62.9 32.9 92.4 87 89 A S H X S+ 0 0 22 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.888 113.4 47.1 -63.3 -43.4 65.6 30.5 93.7 88 90 A Y H X S+ 0 0 112 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.938 113.9 47.3 -64.8 -49.1 63.7 30.0 97.0 89 91 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.871 110.5 53.9 -55.2 -40.7 60.4 29.4 95.1 90 92 A S H X S+ 0 0 2 -4,-2.1 4,-1.8 1,-0.2 -25,-0.3 0.868 106.2 50.3 -69.6 -38.6 62.1 27.0 92.7 91 93 A K H X S+ 0 0 64 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.893 111.0 48.8 -65.4 -45.3 63.6 24.7 95.4 92 94 A I H X S+ 0 0 11 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.952 113.0 46.9 -58.3 -52.1 60.2 24.4 97.2 93 95 A I H <>S+ 0 0 2 -4,-2.1 5,-3.9 1,-0.2 -2,-0.2 0.806 109.2 55.3 -65.2 -31.0 58.4 23.5 94.0 94 96 A K H ><5S+ 0 0 56 -4,-1.8 3,-1.9 3,-0.2 -1,-0.2 0.934 106.7 49.4 -64.4 -47.9 61.1 21.0 93.1 95 97 A R H 3<5S+ 0 0 137 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.876 110.5 53.6 -55.0 -37.4 60.7 19.2 96.4 96 98 A A T 3<5S- 0 0 23 -4,-1.8 -1,-0.3 -5,-0.2 126,-0.3 0.351 135.3 -86.9 -81.9 4.1 57.0 19.3 95.5 97 99 A G T < 5 - 0 0 50 -3,-1.9 -29,-0.3 -5,-0.1 -3,-0.2 0.436 61.6-109.3 106.7 1.4 57.5 17.6 92.0 98 100 A G < - 0 0 4 -5,-3.9 124,-0.5 -6,-0.1 2,-0.2 -0.186 56.4 -34.7 72.5-165.1 58.3 20.7 89.9 99 101 A F B -b 66 0A 4 -34,-3.4 -32,-2.6 122,-0.1 2,-0.4 -0.601 40.5-150.3 -94.5 150.1 56.1 22.2 87.2 100 102 A T E +C 220 0B 92 120,-2.7 120,-2.8 -2,-0.2 2,-0.3 -0.992 31.1 175.8-114.6 129.6 53.8 20.5 84.8 101 103 A T E -C 219 0B 12 -2,-0.4 2,-0.3 118,-0.2 118,-0.2 -0.952 18.1-170.4-140.1 151.6 53.5 22.5 81.6 102 104 A Q E -C 218 0B 113 116,-2.3 116,-2.3 -2,-0.3 2,-0.6 -0.999 20.8-139.6-144.5 146.3 52.0 22.5 78.1 103 105 A V E -C 217 0B 27 -2,-0.3 114,-0.2 114,-0.2 3,-0.1 -0.929 15.8-171.8 -96.8 117.0 52.2 24.4 74.9 104 106 A H - 0 0 91 112,-2.0 2,-0.3 -2,-0.6 -1,-0.2 0.894 69.6 -17.8 -76.2 -45.8 48.6 24.7 73.5 105 107 A Q - 0 0 92 111,-1.0 -1,-0.3 2,-0.1 2,-0.2 -0.959 50.8-150.9-148.8 161.4 49.7 26.1 70.2 106 108 A R + 0 0 18 -2,-0.3 2,-0.3 -3,-0.1 109,-0.3 -0.737 47.4 121.1-137.0 93.2 52.7 27.9 68.7 107 109 A Q - 0 0 33 107,-2.2 2,-0.3 -2,-0.2 107,-0.3 -0.984 51.2-128.8-143.9 152.6 51.8 30.2 65.9 108 110 A M E -F 173 0C 5 65,-2.9 65,-2.7 -2,-0.3 2,-0.5 -0.807 19.7-140.3-100.9 145.0 52.2 33.9 65.2 109 111 A I E -F 172 0C 11 100,-0.5 100,-3.1 -2,-0.3 2,-0.3 -0.907 17.9-175.4-107.9 131.4 49.2 36.2 64.2 110 112 A G E -FG 171 208C 0 61,-2.4 61,-2.4 -2,-0.5 2,-0.4 -0.912 7.3-158.7-119.4 151.2 49.5 38.9 61.6 111 113 A Q E -FG 170 207C 57 96,-2.4 96,-2.8 -2,-0.3 2,-0.4 -0.992 15.3-163.6-135.6 142.0 46.9 41.4 60.6 112 114 A V E -FG 169 206C 1 57,-2.3 57,-2.7 -2,-0.4 2,-0.6 -0.991 19.3-148.6-113.7 129.2 46.0 43.6 57.7 113 115 A A E -FG 168 205C 17 92,-1.9 91,-3.6 -2,-0.4 92,-0.7 -0.885 13.1-167.7 -99.7 123.8 43.5 46.4 58.4 114 116 A L E +FG 167 203C 0 53,-2.9 53,-2.8 -2,-0.6 2,-0.3 -0.881 8.3 176.0-109.1 142.8 41.2 47.4 55.5 115 117 A Y E + G 0 202C 62 87,-2.6 87,-2.7 -2,-0.4 3,-0.1 -0.837 55.4 50.8-136.9 176.1 39.0 50.5 55.5 116 118 A Q + 0 0 144 49,-0.4 2,-0.8 -2,-0.3 -1,-0.2 0.907 68.9 160.3 53.8 43.7 36.7 52.3 53.0 117 119 A V - 0 0 27 48,-0.2 -1,-0.2 1,-0.2 84,-0.1 -0.880 26.7-166.4 -97.1 108.3 35.0 48.9 52.5 118 120 A A S S+ 0 0 83 -2,-0.8 -1,-0.2 82,-0.5 82,-0.1 0.934 84.2 26.8 -58.8 -51.0 31.6 49.7 51.0 119 121 A N > + 0 0 104 80,-0.4 4,-2.4 1,-0.1 -1,-0.3 -0.813 67.3 174.1-119.7 88.5 30.2 46.2 51.5 120 122 A P H > S+ 0 0 38 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.839 80.1 52.5 -64.9 -36.3 32.0 44.5 54.5 121 123 A K H > S+ 0 0 115 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.928 112.7 43.9 -66.4 -46.3 29.9 41.4 54.5 122 124 A L H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 115.0 50.1 -62.5 -43.2 30.4 40.7 50.8 123 125 A A H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.909 109.1 50.8 -61.5 -45.6 34.2 41.4 51.2 124 126 A Q H X S+ 0 0 35 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.867 110.9 50.8 -57.0 -40.4 34.4 39.1 54.2 125 127 A E H X S+ 0 0 111 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.900 110.7 47.0 -66.4 -46.4 32.7 36.4 52.1 126 128 A K H X S+ 0 0 102 -4,-2.3 4,-0.7 2,-0.2 3,-0.3 0.925 113.3 47.0 -62.5 -49.3 35.1 36.8 49.1 127 129 A I H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.2 7,-0.2 0.895 111.7 50.8 -61.6 -43.4 38.3 36.7 51.1 128 130 A A H >< S+ 0 0 56 -4,-1.8 3,-0.6 1,-0.3 -1,-0.2 0.750 109.6 50.1 -68.9 -26.8 37.3 33.7 53.2 129 131 A S H 3< S+ 0 0 90 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.598 110.5 51.3 -83.5 -13.3 36.4 31.7 50.1 130 132 A K T + 0 0 84 -3,-0.6 4,-2.4 1,-0.2 5,-0.2 0.851 69.1 48.8 -52.7 -51.4 41.6 31.5 51.8 132 134 A A H > S+ 0 0 65 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.852 112.0 49.2 -63.5 -38.4 43.8 28.7 50.3 133 135 A E H > S+ 0 0 112 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.889 111.4 50.4 -65.6 -41.5 45.1 30.9 47.5 134 136 A L H X S+ 0 0 3 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.899 109.7 49.6 -66.1 -42.3 45.9 33.7 50.0 135 137 A L H X S+ 0 0 20 -4,-2.4 4,-2.0 1,-0.2 17,-0.3 0.880 110.8 51.0 -62.0 -39.7 47.8 31.3 52.2 136 138 A E H X S+ 0 0 110 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.875 107.3 53.7 -64.8 -39.0 49.8 30.1 49.2 137 139 A L H X S+ 0 0 60 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.854 110.0 46.7 -65.0 -37.5 50.6 33.7 48.2 138 140 A A H X S+ 0 0 0 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.879 112.5 50.0 -69.3 -40.5 52.0 34.3 51.7 139 141 A N H < S+ 0 0 26 -4,-2.0 7,-0.3 1,-0.2 3,-0.2 0.798 109.4 50.7 -70.7 -31.5 54.1 31.1 51.7 140 142 A Q H < S+ 0 0 121 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.810 105.0 58.1 -70.4 -34.1 55.5 31.9 48.2 141 143 A A H < S+ 0 0 39 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.674 119.9 29.0 -71.4 -18.9 56.5 35.3 49.4 142 144 A Y >X + 0 0 62 -4,-0.6 3,-1.3 -3,-0.2 4,-0.5 -0.548 68.0 162.0-139.8 71.4 58.6 33.7 52.2 143 145 A P H 3> + 0 0 67 0, 0.0 4,-1.5 0, 0.0 3,-0.3 0.674 62.5 81.0 -70.3 -15.7 59.8 30.3 50.9 144 146 A S H 34 S+ 0 0 63 1,-0.2 4,-0.4 2,-0.2 6,-0.1 0.720 95.1 45.3 -58.6 -26.1 62.6 30.0 53.6 145 147 A I H <4>S+ 0 0 1 -3,-1.3 5,-3.0 -6,-0.2 -1,-0.2 0.750 104.7 58.4 -94.8 -27.7 60.0 28.9 56.2 146 148 A V H ><5S+ 0 0 71 -4,-0.5 3,-1.3 -7,-0.3 -2,-0.2 0.864 103.7 54.6 -67.0 -37.9 58.1 26.3 54.1 147 149 A K T 3<5S+ 0 0 187 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.778 107.3 50.5 -67.0 -28.2 61.4 24.4 53.6 148 150 A R T 3 5S- 0 0 105 -4,-0.4 -1,-0.3 -3,-0.0 -2,-0.2 0.275 127.9 -99.4 -92.6 8.2 61.9 24.2 57.4 149 151 A G T < 5S+ 0 0 44 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.512 90.7 95.6 90.7 7.0 58.4 22.9 57.8 150 152 A G < + 0 0 3 -5,-3.0 -1,-0.3 -6,-0.1 2,-0.2 -0.227 36.1 120.2-106.5-160.8 56.5 26.0 58.8 151 153 A G E -H 174 0C 0 23,-2.4 23,-2.9 -2,-0.1 2,-0.3 -0.776 65.6 -25.4 135.2-175.8 54.5 28.7 57.0 152 154 A A E +H 173 0C 6 -17,-0.3 21,-0.3 21,-0.3 -13,-0.1 -0.583 54.1 171.1 -72.3 129.1 51.0 30.3 56.8 153 155 A R E + 0 0 116 19,-3.4 2,-0.3 -2,-0.3 20,-0.2 0.672 53.3 8.8-117.8 -27.8 48.4 27.9 58.2 154 156 A D E -H 172 0C 65 18,-1.3 18,-2.5 -19,-0.1 2,-0.3 -0.985 50.9-160.3-157.3 160.8 45.1 29.7 58.5 155 157 A L E +H 171 0C 10 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.992 11.1 173.1-147.5 135.4 43.2 32.9 57.7 156 158 A H E -H 170 0C 63 14,-2.1 14,-3.1 -2,-0.3 2,-0.4 -0.975 17.5-143.3-142.0 160.7 40.1 34.6 59.1 157 159 A V E -H 169 0C 11 -2,-0.3 2,-0.4 12,-0.2 12,-0.2 -0.967 13.0-168.4-126.8 135.1 38.3 37.9 58.6 158 160 A E E -H 168 0C 87 10,-2.6 10,-2.4 -2,-0.4 2,-0.7 -0.973 20.4-137.8-126.6 139.8 36.5 40.0 61.2 159 161 A Q E -H 167 0C 71 -2,-0.4 2,-0.6 8,-0.2 8,-0.2 -0.865 24.4-167.5 -86.4 115.6 34.2 43.0 60.9 160 162 A I E -H 166 0C 73 6,-2.7 6,-2.7 -2,-0.7 2,-0.0 -0.938 10.8-145.4-110.7 113.4 35.3 45.4 63.7 161 163 A K + 0 0 153 -2,-0.6 2,-0.3 4,-0.2 4,-0.1 -0.307 46.1 88.0 -74.0 156.1 32.8 48.2 64.3 162 164 A G S S- 0 0 49 -2,-0.0 3,-0.2 0, 0.0 -1,-0.0 -0.996 78.8 -11.6 157.4-150.2 33.8 51.7 65.2 163 165 A E S S+ 0 0 202 1,-0.3 2,-0.1 -2,-0.3 -2,-0.1 -0.792 139.4 0.1-125.5 87.8 34.8 55.1 63.9 164 166 A P S S- 0 0 80 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.538 99.5-107.9 -93.5-162.6 35.2 54.1 61.2 165 167 A D - 0 0 83 -3,-0.2 -49,-0.4 -2,-0.1 2,-0.4 -0.592 32.2-156.4 -78.2 142.7 34.5 50.4 60.5 166 168 A F E - H 0 160C 70 -6,-2.7 -6,-2.7 -2,-0.2 2,-0.6 -0.946 12.4-152.3-117.9 143.3 37.6 48.2 59.9 167 169 A L E -FH 114 159C 2 -53,-2.8 -53,-2.9 -2,-0.4 2,-0.5 -0.972 24.5-165.3-108.8 114.0 37.7 44.9 58.0 168 170 A V E -FH 113 158C 8 -10,-2.4 -10,-2.6 -2,-0.6 2,-0.5 -0.885 11.1-160.0-111.6 127.5 40.7 43.0 59.5 169 171 A V E -FH 112 157C 1 -57,-2.7 -57,-2.3 -2,-0.5 2,-0.5 -0.903 10.5-162.7-104.0 126.9 42.3 39.9 58.0 170 172 A Y E -FH 111 156C 39 -14,-3.1 -14,-2.1 -2,-0.5 2,-0.4 -0.943 2.9-163.8-111.5 130.9 44.3 37.7 60.4 171 173 A I E -FH 110 155C 1 -61,-2.4 -61,-2.4 -2,-0.5 2,-0.5 -0.900 9.2-148.2-109.0 145.5 46.9 35.2 59.2 172 174 A H E -FH 109 154C 18 -18,-2.5 -19,-3.4 -2,-0.4 -18,-1.3 -0.959 22.4-171.7-116.0 125.7 48.2 32.4 61.5 173 175 A V E -FH 108 152C 0 -65,-2.7 -65,-2.9 -2,-0.5 2,-0.8 -0.966 29.3-141.2-134.3 124.5 51.7 31.4 60.9 174 176 A D E + H 0 151C 26 -23,-2.9 -23,-2.4 -2,-0.4 -67,-0.1 -0.738 25.8 172.9 -73.4 113.6 54.1 28.7 62.0 175 177 A T > - 0 0 1 -2,-0.8 3,-2.2 1,-0.3 -1,-0.1 0.197 25.8-151.9-108.0 13.0 57.4 30.6 62.3 176 178 A Q T 3 S- 0 0 59 1,-0.3 -1,-0.3 -70,-0.2 -27,-0.0 -0.270 70.7 -9.6 49.8-124.6 59.2 27.7 63.8 177 179 A E T 3 S+ 0 0 57 -3,-0.1 145,-2.2 144,-0.1 146,-1.0 0.435 117.0 94.6 -82.9 0.1 62.1 28.9 66.1 178 180 A A S < S- 0 0 19 -3,-2.2 -3,-0.2 143,-0.2 146,-0.1 -0.614 77.1-128.6 -98.8 152.1 61.8 32.6 65.0 179 181 A M - 0 0 66 144,-0.5 -1,-0.1 -2,-0.2 -4,-0.1 0.924 39.9-146.7 -58.4 -48.9 59.9 35.5 66.5 180 182 A G > + 0 0 7 -5,-0.1 4,-3.1 -72,-0.0 5,-0.3 0.450 58.3 123.6 100.1 4.2 58.4 36.2 63.0 181 183 A A H > S+ 0 0 35 2,-0.2 4,-1.6 1,-0.2 27,-0.2 0.920 84.5 39.3 -64.2 -44.4 58.0 40.0 62.9 182 184 A N H > S+ 0 0 134 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.898 117.2 51.5 -67.4 -43.2 60.0 40.3 59.7 183 185 A M H > S+ 0 0 7 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.940 113.4 43.1 -59.3 -51.0 58.5 37.1 58.2 184 186 A L H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.797 110.0 57.1 -70.1 -29.1 54.9 38.3 58.9 185 187 A N H X S+ 0 0 81 -4,-1.6 4,-1.4 -5,-0.3 -1,-0.2 0.936 112.0 42.3 -62.5 -45.8 55.7 41.8 57.6 186 188 A T H X S+ 0 0 62 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.917 114.6 49.4 -66.7 -48.1 56.8 40.3 54.3 187 189 A M H X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.885 112.5 48.3 -57.3 -42.0 54.0 37.8 54.0 188 190 A L H X S+ 0 0 2 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.779 106.6 55.8 -74.8 -29.3 51.4 40.5 54.8 189 191 A E H < S+ 0 0 100 -4,-1.4 3,-0.2 1,-0.2 -1,-0.2 0.882 104.1 55.0 -67.1 -40.4 52.9 43.0 52.2 190 192 A A H < S+ 0 0 34 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.760 111.0 46.5 -60.3 -26.4 52.4 40.3 49.5 191 193 A L H X S+ 0 0 1 -4,-0.7 4,-2.7 -5,-0.1 5,-0.2 0.716 89.0 84.1 -91.5 -24.8 48.7 40.1 50.5 192 194 A K H X S+ 0 0 36 -4,-1.2 4,-2.4 -3,-0.2 5,-0.2 0.890 89.8 47.9 -47.3 -56.7 47.8 43.8 50.6 193 195 A P H > S+ 0 0 76 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.936 116.0 42.9 -54.0 -53.5 47.1 44.3 46.8 194 196 A V H > S+ 0 0 55 -4,-0.4 4,-3.0 1,-0.2 5,-0.2 0.861 113.2 53.2 -61.9 -38.8 44.9 41.2 46.5 195 197 A L H X S+ 0 0 1 -4,-2.7 4,-1.7 2,-0.2 6,-0.3 0.871 110.9 47.1 -63.3 -38.2 43.1 42.0 49.8 196 198 A E H X>S+ 0 0 54 -4,-2.4 4,-2.0 -5,-0.2 5,-1.2 0.950 113.5 48.1 -66.0 -50.6 42.4 45.5 48.5 197 199 A E H <5S+ 0 0 131 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.932 115.3 44.5 -52.2 -51.6 41.2 44.2 45.1 198 200 A L H <5S+ 0 0 35 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.810 122.3 36.5 -67.8 -32.5 38.9 41.6 46.8 199 201 A S H <5S- 0 0 6 -4,-1.7 -80,-0.4 -5,-0.2 -81,-0.2 0.618 97.0-132.4 -94.0 -15.9 37.5 43.9 49.4 200 202 A Q T <5S+ 0 0 141 -4,-2.0 -82,-0.5 1,-0.2 2,-0.2 0.876 72.0 111.1 57.2 40.7 37.3 47.1 47.2 201 203 A G S + 0 0 3 -2,-1.2 3,-1.6 1,-0.2 106,-0.3 -0.395 25.8 152.5 -88.2 65.2 49.8 36.1 70.7 213 215 A T G > S+ 0 0 47 -2,-1.9 3,-0.6 1,-0.3 -1,-0.2 0.601 70.4 65.9 -70.7 -12.1 46.8 34.0 71.5 214 216 A D G 3 S+ 0 0 14 -107,-0.3 -107,-2.2 1,-0.2 -1,-0.3 0.135 101.5 51.9 -90.1 16.8 48.1 31.3 69.1 215 217 A S G < S+ 0 0 1 -3,-1.6 103,-2.6 -109,-0.3 -1,-0.2 -0.074 73.3 154.0-143.8 37.9 51.0 30.8 71.5 216 218 A L E < - D 0 317B 35 -3,-0.6 -112,-2.0 101,-0.2 -111,-1.0 -0.443 18.4-173.7 -72.9 143.4 49.4 30.2 74.9 217 219 A V E -CD 103 316B 2 99,-1.8 99,-2.6 -114,-0.2 2,-0.4 -0.997 6.2-157.6-140.3 133.9 51.4 28.1 77.4 218 220 A T E -CD 102 315B 9 -116,-2.3 -116,-2.3 -2,-0.4 2,-0.4 -0.929 5.8-170.9-118.1 139.5 50.3 26.9 80.8 219 221 A A E -CD 101 314B 0 95,-2.3 95,-1.9 -2,-0.4 2,-0.3 -0.971 6.6-177.4-123.0 144.3 52.3 25.9 83.8 220 222 A S E -CD 100 313B 37 -120,-2.8 -120,-2.7 -2,-0.4 2,-0.3 -0.966 8.5-169.1-135.0 156.6 51.1 24.3 87.0 221 223 A C E - D 0 312B 3 91,-1.9 91,-2.1 -2,-0.3 2,-0.5 -0.974 10.9-153.0-138.6 154.6 52.5 23.2 90.3 222 224 A R E - D 0 311B 109 -124,-0.5 2,-0.6 -2,-0.3 89,-0.2 -0.930 17.3-171.6-132.7 102.8 51.0 21.1 93.1 223 225 A I E - D 0 310B 0 87,-3.4 87,-3.6 -2,-0.5 2,-0.1 -0.874 16.4-138.6-110.4 114.0 52.5 21.9 96.5 224 226 A A E >> - D 0 309B 9 -2,-0.6 3,-2.1 85,-0.3 4,-0.5 -0.382 25.5-117.5 -65.6 143.7 51.8 19.7 99.6 225 227 A F H >> S+ 0 0 15 83,-2.0 4,-1.2 1,-0.3 3,-1.2 0.791 110.5 66.9 -53.5 -31.7 51.2 21.7 102.8 226 228 A R H 34 S+ 0 0 139 82,-0.3 -1,-0.3 1,-0.3 83,-0.1 0.649 96.3 55.0 -67.4 -17.8 54.2 20.1 104.5 227 229 A Y H <4 S+ 0 0 61 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.638 103.3 55.8 -87.2 -17.1 56.6 21.9 102.0 228 230 A L H << S- 0 0 7 -3,-1.2 2,-0.2 -4,-0.5 -2,-0.2 0.786 130.9 -11.9 -82.6 -32.8 55.1 25.3 103.0 229 231 A S < - 0 0 22 -4,-1.2 6,-0.5 2,-0.1 -1,-0.3 -0.826 50.0-147.6-169.1 132.3 55.9 24.8 106.7 230 232 A R S S+ 0 0 192 -2,-0.2 3,-0.1 -3,-0.2 -1,-0.1 0.774 73.4 100.2 -72.6 -27.1 56.9 21.8 108.8 231 233 A Q S >> S- 0 0 128 1,-0.1 3,-1.1 2,-0.1 4,-0.8 -0.213 91.8 -85.5 -60.7 150.7 55.0 23.2 111.8 232 234 A K T 34 S- 0 0 188 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.400 103.8 -11.8 -67.8 126.0 51.6 21.6 112.5 233 235 A D T 3> S+ 0 0 83 -2,-0.2 4,-1.3 -4,-0.1 -1,-0.3 0.424 106.1 106.3 67.4 0.8 48.7 23.2 110.6 234 236 A Q H <> S+ 0 0 56 -3,-1.1 4,-2.2 2,-0.2 5,-0.2 0.864 72.3 58.2 -77.3 -36.9 50.9 26.2 109.6 235 237 A G H X S+ 0 0 3 -4,-0.8 4,-2.4 -6,-0.5 -1,-0.2 0.874 105.2 51.0 -55.3 -41.9 51.2 24.9 106.0 236 238 A R H > S+ 0 0 103 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.900 108.2 51.7 -65.7 -43.5 47.4 25.1 105.7 237 239 A E H X S+ 0 0 100 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.935 112.1 46.6 -54.0 -51.2 47.3 28.7 107.0 238 240 A I H X S+ 0 0 19 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.925 113.9 47.0 -60.1 -47.5 50.0 29.7 104.4 239 241 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.877 110.7 53.0 -63.3 -40.8 48.2 28.0 101.5 240 242 A E H X S+ 0 0 69 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.914 110.8 46.8 -58.3 -45.1 44.8 29.5 102.6 241 243 A K H X S+ 0 0 98 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.822 108.9 53.7 -72.1 -32.4 46.3 33.0 102.5 242 244 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.885 108.9 49.9 -66.7 -39.7 48.0 32.4 99.1 243 245 A A H X S+ 0 0 13 -4,-2.1 4,-2.0 2,-0.2 58,-0.3 0.916 111.9 47.8 -62.7 -44.0 44.6 31.4 97.7 244 246 A L H X S+ 0 0 118 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.874 109.5 53.5 -61.5 -40.0 43.1 34.5 99.2 245 247 A A H X S+ 0 0 12 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.908 108.8 49.6 -60.5 -43.7 46.0 36.5 97.7 246 248 A S H X S+ 0 0 2 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.859 111.7 48.1 -61.0 -39.9 45.1 35.0 94.4 247 249 A Q H >X S+ 0 0 116 -4,-2.0 4,-1.3 2,-0.2 3,-0.5 0.898 106.2 57.6 -68.8 -42.2 41.4 36.0 94.9 248 250 A F H >X S+ 0 0 106 -4,-2.9 4,-2.2 1,-0.2 3,-0.5 0.902 106.0 50.3 -51.4 -43.5 42.4 39.5 95.9 249 251 A A H 3< S+ 0 0 0 -4,-1.7 48,-1.0 1,-0.2 -1,-0.2 0.743 107.8 52.8 -72.8 -24.9 44.2 39.9 92.5 250 252 A Q H << S+ 0 0 38 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.735 116.1 41.6 -73.8 -23.5 41.1 38.6 90.6 251 253 A A H << S+ 0 0 65 -4,-1.3 -2,-0.2 -3,-0.5 -3,-0.1 0.797 112.6 46.2 -97.3 -34.3 39.0 41.3 92.4 252 254 A D >X - 0 0 55 -4,-2.2 4,-2.6 -5,-0.1 3,-1.4 -0.949 55.5-158.1-124.7 113.1 41.1 44.5 92.5 253 255 A P H 3> S+ 0 0 52 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.799 97.7 63.0 -51.6 -31.9 43.0 45.9 89.4 254 256 A Y H 3> S+ 0 0 193 1,-0.2 4,-0.6 2,-0.2 -5,-0.1 0.795 111.0 36.5 -67.3 -29.8 45.2 47.8 92.0 255 257 A R H <> S+ 0 0 33 -3,-1.4 4,-3.0 -7,-0.2 -1,-0.2 0.843 112.7 59.1 -84.0 -40.1 46.4 44.4 93.3 256 258 A A H X S+ 0 0 0 -4,-2.6 4,-3.3 -8,-0.2 5,-0.3 0.883 101.2 53.9 -61.1 -43.6 46.4 42.7 89.9 257 259 A A H X S+ 0 0 47 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.967 114.7 41.3 -51.9 -53.6 48.9 45.1 88.4 258 260 A T H X S+ 0 0 80 -4,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.883 113.8 53.1 -63.8 -44.3 51.4 44.5 91.3 259 261 A H H X S+ 0 0 2 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.957 114.4 41.7 -51.7 -55.7 50.6 40.7 91.2 260 262 A N H X S+ 0 0 0 -4,-3.3 4,-1.5 1,-0.2 -2,-0.2 0.795 109.0 60.1 -67.4 -31.2 51.4 40.6 87.5 261 263 A K H X S+ 0 0 94 -4,-2.5 4,-1.1 -5,-0.3 3,-0.3 0.945 103.9 50.8 -56.3 -52.6 54.4 42.9 87.9 262 264 A G H >X S+ 0 0 9 -4,-2.3 4,-0.9 1,-0.2 3,-0.5 0.875 105.4 55.7 -55.7 -41.8 56.0 40.4 90.3 263 265 A I H >X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 3,-0.6 0.902 109.0 48.6 -54.7 -41.3 55.5 37.6 87.7 264 266 A F H 3X S+ 0 0 4 -4,-1.5 4,-2.2 -3,-0.3 5,-0.4 0.599 91.2 75.2 -84.3 -12.9 57.4 39.7 85.2 265 267 A N H S+ 0 0 0 -4,-2.4 5,-3.4 -5,-0.2 -2,-0.2 0.896 109.2 45.3 -60.9 -40.6 63.9 37.0 78.5 272 274 A I H ><5S+ 0 0 54 -4,-2.4 3,-1.8 3,-0.2 -2,-0.2 0.949 110.6 53.4 -65.1 -46.6 66.9 39.3 78.7 273 275 A A H 3<5S+ 0 0 3 -4,-2.1 63,-0.3 1,-0.3 -2,-0.2 0.838 113.6 43.8 -55.1 -33.6 69.2 36.4 79.5 274 276 A T T 3<5S- 0 0 0 -4,-2.0 -1,-0.3 -200,-0.1 -2,-0.2 0.277 115.8-110.7-100.4 10.4 67.9 34.7 76.4 275 277 A G T < 5 + 0 0 19 -3,-1.8 52,-0.3 1,-0.2 2,-0.3 0.797 66.6 150.5 67.1 30.4 68.0 37.7 74.0 276 278 A N < - 0 0 11 -5,-3.4 2,-0.9 -6,-0.2 -1,-0.2 -0.701 56.2-107.1 -99.5 148.4 64.2 37.9 73.8 277 279 A D > - 0 0 44 -2,-0.3 4,-1.2 1,-0.2 3,-0.2 -0.593 33.4-177.6 -71.8 101.9 62.0 40.9 73.3 278 280 A W H > S+ 0 0 97 -2,-0.9 4,-3.0 1,-0.2 5,-0.2 0.795 76.7 66.0 -74.9 -28.0 60.4 41.5 76.7 279 281 A R H > S+ 0 0 137 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 104.0 47.9 -57.7 -39.2 58.3 44.4 75.5 280 282 A A H > S+ 0 0 12 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.881 112.7 46.0 -69.6 -41.9 56.4 42.0 73.3 281 283 A I H X S+ 0 0 5 -4,-1.2 4,-2.1 2,-0.2 5,-0.3 0.911 112.9 51.3 -70.9 -39.0 55.9 39.4 76.1 282 284 A E H X S+ 0 0 52 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.930 111.0 48.3 -57.3 -49.6 54.8 42.2 78.5 283 285 A A H X S+ 0 0 50 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.910 113.8 44.5 -61.0 -47.9 52.2 43.6 76.1 284 286 A G H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.904 116.4 45.1 -66.7 -43.6 50.6 40.2 75.2 285 287 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.900 113.8 49.1 -68.7 -40.6 50.4 39.0 78.7 286 288 A H H < S+ 0 0 53 -4,-2.4 4,-0.2 -5,-0.3 -1,-0.2 0.819 113.2 47.3 -72.2 -30.0 49.1 42.3 80.1 287 289 A A H >< S+ 0 0 38 -4,-1.9 3,-1.5 -5,-0.2 -2,-0.2 0.895 109.8 53.9 -68.1 -45.1 46.5 42.3 77.3 288 290 A F H >< S+ 0 0 12 -4,-2.6 3,-1.6 1,-0.3 -2,-0.2 0.837 99.1 64.3 -54.2 -36.7 45.6 38.7 78.1 289 291 A A T 3< S+ 0 0 5 -4,-1.8 7,-2.5 1,-0.3 -1,-0.3 0.645 104.9 44.8 -64.5 -17.1 45.1 39.7 81.8 290 292 A S T X S+ 0 0 57 -3,-1.5 3,-1.1 5,-0.2 -1,-0.3 0.150 78.9 109.3-114.2 19.9 42.1 41.9 80.7 291 293 A R T < S+ 0 0 127 -3,-1.6 -1,-0.1 1,-0.2 -2,-0.1 0.747 72.1 57.1 -71.4 -27.1 40.4 39.4 78.4 292 294 A D T 3 S- 0 0 123 2,-0.4 -1,-0.2 -4,-0.2 3,-0.1 0.159 128.7 -86.8 -92.6 18.7 37.4 38.7 80.6 293 295 A G S < S+ 0 0 77 -3,-1.1 2,-0.3 1,-0.1 -2,-0.1 0.228 106.6 61.1 101.1 -13.9 36.3 42.4 80.8 294 296 A R S S- 0 0 120 -5,-0.1 2,-0.6 -44,-0.0 -2,-0.4 -0.992 89.8-101.0-141.7 149.0 38.5 43.5 83.8 295 297 A Y + 0 0 53 -2,-0.3 2,-0.2 -5,-0.1 -5,-0.2 -0.588 56.9 166.8 -72.6 116.2 42.2 43.6 84.5 296 298 A Q - 0 0 30 -7,-2.5 -46,-0.2 -2,-0.6 -5,-0.1 -0.778 40.7 -72.6-130.5 167.0 43.0 40.6 86.7 297 299 A G - 0 0 10 -48,-1.0 -40,-0.1 -2,-0.2 -41,-0.1 -0.325 35.5-138.9 -59.3 140.2 45.9 38.5 88.0 298 300 A L S S+ 0 0 14 -42,-0.2 17,-0.8 16,-0.1 2,-0.3 0.652 83.2 44.7 -80.5 -17.4 47.5 36.2 85.4 299 301 A S E -E 314 0B 2 15,-0.2 2,-0.4 -53,-0.1 15,-0.2 -0.809 69.8-148.1-120.7 163.4 47.8 33.2 87.7 300 302 A C E -E 313 0B 54 13,-2.3 13,-2.0 -2,-0.3 2,-0.5 -0.998 2.5-160.3-133.3 140.5 45.4 31.6 90.2 301 303 A W E +E 312 0B 1 -2,-0.4 2,-0.3 -58,-0.3 11,-0.2 -0.985 20.5 168.3-122.4 120.1 46.2 29.7 93.4 302 304 A T E -E 311 0B 72 9,-2.5 9,-3.2 -2,-0.5 2,-0.4 -0.815 27.9-114.1-127.0 167.9 43.6 27.3 94.8 303 305 A L E -E 310 0B 57 -2,-0.3 2,-0.6 7,-0.2 7,-0.2 -0.813 5.8-158.4-106.8 141.7 43.4 24.7 97.5 304 306 A D E >> -E 309 0B 46 5,-3.0 5,-2.6 -2,-0.4 4,-0.6 -0.962 17.4-177.3-109.9 105.9 42.9 20.9 97.4 305 307 A L T 45S+ 0 0 112 -2,-0.6 -1,-0.1 3,-0.2 5,-0.0 0.800 77.2 49.1 -80.7 -29.8 41.7 20.2 100.9 306 308 A E T 45S+ 0 0 187 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.905 120.7 36.3 -72.6 -45.0 41.4 16.4 100.6 307 309 A R T 45S- 0 0 144 2,-0.1 -2,-0.2 -83,-0.0 -1,-0.2 0.557 107.3-129.1 -83.3 -9.0 44.9 16.0 99.2 308 310 A E T <5 + 0 0 117 -4,-0.6 -83,-2.0 1,-0.2 2,-0.3 0.972 58.5 142.1 54.2 60.5 46.2 18.9 101.4 309 311 A E E < -DE 224 304B 19 -5,-2.6 -5,-3.0 -85,-0.2 2,-0.6 -0.974 53.2-138.2-135.4 143.4 47.8 20.7 98.5 310 312 A L E -DE 223 303B 0 -87,-3.6 -87,-3.4 -2,-0.3 2,-0.5 -0.910 27.9-159.1 -96.1 122.8 48.3 24.3 97.2 311 313 A V E -DE 222 302B 20 -9,-3.2 -9,-2.5 -2,-0.6 2,-0.4 -0.903 9.4-173.4-109.8 128.5 47.7 24.4 93.4 312 314 A G E +DE 221 301B 0 -91,-2.1 -91,-1.9 -2,-0.5 2,-0.3 -0.958 6.3 175.4-120.0 141.6 49.1 27.2 91.2 313 315 A E E +DE 220 300B 106 -13,-2.0 -13,-2.3 -2,-0.4 2,-0.3 -0.998 5.2 175.7-146.7 145.0 48.3 27.7 87.5 314 316 A M E -DE 219 299B 2 -95,-1.9 -95,-2.3 -2,-0.3 2,-0.5 -0.954 11.7-165.3-154.6 131.6 49.1 30.2 84.8 315 317 A T E +D 218 0B 31 -17,-0.8 -97,-0.2 -2,-0.3 -99,-0.1 -0.975 20.9 167.0-116.1 127.0 48.5 30.6 81.1 316 318 A L E -D 217 0B 0 -99,-2.6 -99,-1.8 -2,-0.5 2,-0.5 -0.993 43.1-110.8-135.3 146.3 50.5 33.2 79.1 317 319 A P E +D 216 0B 1 0, 0.0 -101,-0.2 0, 0.0 -32,-0.2 -0.673 42.2 175.0 -68.0 125.1 51.1 34.0 75.5 318 320 A M + 0 0 2 -103,-2.6 2,-2.3 -2,-0.5 31,-0.1 -0.426 14.5 162.7-137.3 61.2 54.8 33.1 75.1 319 321 A P + 0 0 24 0, 0.0 27,-0.1 0, 0.0 -103,-0.1 -0.366 27.1 160.1 -77.7 62.7 55.9 33.4 71.5 320 322 A V - 0 0 1 -2,-2.3 2,-0.3 25,-0.2 29,-0.1 -0.208 26.9-136.5 -79.4 176.4 59.6 33.4 72.4 321 323 A A - 0 0 4 -47,-0.1 -143,-0.2 1,-0.1 -144,-0.1 -0.885 22.4-162.1-135.1 160.2 62.5 32.6 70.0 322 324 A T S S+ 0 0 32 -145,-2.2 2,-0.3 -2,-0.3 -144,-0.2 0.272 84.1 53.0-122.8 2.1 65.8 30.7 69.9 323 325 A K + 0 0 105 -146,-1.0 -144,-0.5 -48,-0.0 2,-0.2 -0.978 67.6 102.7-133.0 151.4 67.2 32.5 66.8 324 326 A G S > S- 0 0 43 -2,-0.3 4,-2.8 1,-0.1 3,-0.3 -0.744 76.2 -73.0 151.5 164.1 67.6 36.3 66.2 325 327 A S H > S+ 0 0 87 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.885 127.3 44.4 -49.9 -54.5 70.2 39.1 66.1 326 328 A S H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.862 115.2 49.8 -58.9 -39.5 70.7 39.4 69.9 327 329 A I H 4 S+ 0 0 21 -52,-0.3 -1,-0.2 -3,-0.3 -2,-0.2 0.855 115.8 43.6 -67.2 -38.0 70.9 35.6 70.2 328 330 A G H < S+ 0 0 66 -4,-2.8 -2,-0.2 -53,-0.1 -1,-0.2 0.814 125.4 30.5 -73.8 -32.2 73.4 35.5 67.4 329 331 A L H < S+ 0 0 64 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.802 96.5 77.9-105.9 -36.9 75.5 38.4 68.5 330 332 A N >X - 0 0 37 -4,-2.3 4,-1.8 -5,-0.3 3,-0.8 -0.722 64.6-154.2 -81.8 112.7 75.5 38.8 72.3 331 333 A P H 3> S+ 0 0 23 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.734 92.7 55.4 -64.1 -23.7 77.9 36.1 73.6 332 334 A R H 3> S+ 0 0 17 2,-0.2 4,-2.2 1,-0.1 5,-0.1 0.824 104.9 53.6 -75.9 -30.6 76.2 35.9 77.0 333 335 A V H <> S+ 0 0 5 -3,-0.8 4,-2.0 -7,-0.3 5,-0.2 0.948 108.6 48.1 -66.8 -48.4 72.9 35.2 75.3 334 336 A A H X S+ 0 0 22 -4,-1.8 4,-2.2 -8,-0.2 -2,-0.2 0.919 111.6 51.9 -54.3 -45.2 74.4 32.3 73.4 335 337 A L H X S+ 0 0 1 -4,-1.7 4,-3.5 1,-0.2 -1,-0.2 0.909 106.2 54.1 -56.1 -45.5 75.9 31.1 76.7 336 338 A S H X S+ 0 0 0 -4,-2.2 4,-1.5 -63,-0.3 -1,-0.2 0.873 108.9 47.9 -58.7 -42.6 72.4 31.3 78.3 337 339 A H H <>S+ 0 0 11 -4,-2.0 5,-2.8 2,-0.2 -1,-0.2 0.907 113.7 46.9 -66.0 -44.2 70.9 29.1 75.6 338 340 A D H ><5S+ 0 0 50 -4,-2.2 3,-2.5 3,-0.2 -2,-0.2 0.934 108.5 56.1 -59.3 -48.3 73.7 26.6 76.0 339 341 A L H 3<5S+ 0 0 11 -4,-3.5 -267,-0.4 1,-0.3 -1,-0.2 0.850 105.3 52.9 -51.0 -38.6 73.4 26.7 79.8 340 342 A L T 3<5S- 0 0 5 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.307 124.8-103.5 -83.6 9.2 69.7 25.7 79.3 341 343 A G T < 5 - 0 0 61 -3,-2.5 -3,-0.2 -318,-0.2 -2,-0.1 0.715 64.2 -75.4 74.1 22.0 70.7 22.7 77.2 342 344 A N < - 0 0 100 -5,-2.8 -1,-0.2 -6,-0.2 -4,-0.1 0.915 67.4-161.9 56.6 54.7 69.6 24.5 74.0 343 345 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.239 18.4-113.7 -63.6 150.8 65.8 24.2 74.4 344 346 A S > - 0 0 37 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.345 39.6 -97.1 -69.6 166.0 63.5 24.8 71.4 345 347 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -25,-0.2 0.856 126.8 55.0 -55.0 -35.8 61.3 27.9 71.6 346 348 A R H > S+ 0 0 117 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.915 111.1 42.2 -62.7 -48.4 58.5 25.6 72.9 347 349 A E H > S+ 0 0 89 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.882 113.8 52.3 -68.4 -41.0 60.6 24.2 75.7 348 350 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 3,-0.2 0.933 106.7 54.0 -59.5 -46.2 62.0 27.6 76.6 349 351 A A H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.854 107.5 50.6 -55.3 -39.0 58.4 29.0 76.7 350 352 A Q H X S+ 0 0 27 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.817 110.9 48.5 -71.8 -33.3 57.5 26.3 79.2 351 353 A I H X S+ 0 0 0 -4,-1.7 4,-2.8 -3,-0.2 -2,-0.2 0.904 111.1 51.1 -67.7 -43.6 60.5 27.2 81.4 352 354 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.918 110.4 46.6 -63.9 -44.3 59.6 30.9 81.2 353 355 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.906 113.1 51.2 -64.9 -38.5 55.9 30.5 82.3 354 356 A S H X S+ 0 0 0 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.940 108.5 50.8 -60.3 -50.6 57.2 28.2 85.1 355 357 A I H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.902 108.9 53.4 -51.1 -47.0 59.7 30.9 86.2 356 358 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.911 110.9 44.6 -53.6 -46.9 56.8 33.3 86.2 357 359 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.843 112.8 51.5 -74.6 -33.7 54.7 31.1 88.5 358 360 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 5,-0.3 0.962 110.4 48.7 -59.7 -53.2 57.7 30.4 90.8 359 361 A Q H X S+ 0 0 9 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.913 111.9 50.3 -54.6 -44.2 58.3 34.2 91.1 360 362 A N H X S+ 0 0 1 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.907 106.4 55.9 -58.7 -44.9 54.6 34.7 91.9 361 363 A F H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.906 109.2 44.4 -56.2 -50.3 54.7 32.0 94.5 362 364 A A H X S+ 0 0 7 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.863 112.2 54.6 -62.8 -37.1 57.5 33.6 96.5 363 365 A A H X S+ 0 0 32 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.940 113.3 40.1 -61.8 -47.4 55.9 37.0 96.2 364 366 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.900 113.8 52.6 -70.7 -44.3 52.6 35.9 97.6 365 367 A K H < S+ 0 0 25 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.885 112.6 45.6 -58.5 -43.6 54.1 33.7 100.4 366 368 A A H >< S+ 0 0 75 -4,-2.1 3,-0.8 -5,-0.2 -1,-0.2 0.916 113.1 50.1 -66.2 -43.5 56.2 36.6 101.6 367 369 A L H 3< S+ 0 0 115 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.831 116.0 41.0 -64.5 -34.0 53.3 39.1 101.5 368 370 A V T 3< S+ 0 0 35 -4,-2.1 2,-0.3 -5,-0.1 -1,-0.2 0.342 95.7 98.1 -99.2 5.1 50.9 36.8 103.4 369 371 A S < 0 0 47 -3,-0.8 -4,-0.0 -4,-0.4 -131,-0.0 -0.783 360.0 360.0-104.8 142.0 53.4 35.5 106.1 370 372 A T 0 0 189 -2,-0.3 -1,-0.1 0, 0.0 -4,-0.0 0.954 360.0 360.0 -51.9 360.0 53.8 36.8 109.7