==== 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 TRANSFERASE 06-NOV-01 1KBL . COMPND 2 MOLECULE: PYRUVATE PHOSPHATE DIKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM SYMBIOSUM; . AUTHOR O.HERZBERG,C.C.CHEN,S.LIU . 872 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35144.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 645 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 32 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 337 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 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 3 1 4 1 1 8 0 2 1 3 2 3 2 0 2 1 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 4 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 2 6 2 1 2 1 1 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 1 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A A 0 0 81 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-153.2 11.0 35.6 -36.0 2 3 A K + 0 0 80 1,-0.1 43,-0.1 61,-0.0 58,-0.1 -0.956 360.0 166.4-114.4 106.6 14.8 35.4 -36.4 3 4 A W + 0 0 22 -2,-0.6 39,-1.7 56,-0.1 2,-0.4 0.364 56.7 55.5-101.1 -0.9 15.8 31.7 -36.6 4 5 A V E -A 41 0A 10 37,-0.2 2,-0.4 41,-0.0 37,-0.2 -0.995 56.6-173.5-141.3 132.1 19.4 32.0 -37.9 5 6 A Y E -A 40 0A 49 35,-2.4 35,-3.3 -2,-0.4 2,-0.2 -0.949 23.0-128.6-125.3 145.0 22.4 33.9 -36.7 6 7 A K E > -A 39 0A 62 -2,-0.4 3,-0.9 33,-0.3 33,-0.2 -0.503 33.5-110.6 -81.1 162.5 25.8 34.2 -38.3 7 8 A F G > S+ 0 0 2 31,-1.8 3,-1.9 1,-0.3 23,-0.2 0.891 119.9 58.9 -62.1 -39.3 28.7 33.4 -36.0 8 9 A E G 3 S+ 0 0 97 30,-0.3 -1,-0.3 1,-0.3 31,-0.1 0.751 99.4 58.9 -62.5 -23.4 29.7 37.0 -35.9 9 10 A E G < S+ 0 0 77 -3,-0.9 -1,-0.3 2,-0.0 2,-0.2 0.400 102.5 65.3 -86.9 2.1 26.2 37.9 -34.5 10 11 A G < - 0 0 4 -3,-1.9 2,-0.3 -4,-0.2 20,-0.1 -0.642 52.6-178.0-121.4 179.3 26.6 35.7 -31.4 11 12 A N > - 0 0 59 -2,-0.2 3,-1.5 18,-0.0 7,-0.2 -0.944 49.4 -82.0-159.7 175.6 28.6 35.2 -28.2 12 13 A A G > S+ 0 0 40 -2,-0.3 3,-1.0 1,-0.3 11,-0.1 0.754 120.5 63.3 -57.9 -28.1 29.0 32.9 -25.2 13 14 A S G 3 S+ 0 0 102 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.738 92.0 64.6 -72.6 -20.4 26.1 34.5 -23.4 14 15 A M G X> + 0 0 46 -3,-1.5 4,-2.8 1,-0.2 3,-1.1 0.110 65.8 123.2 -89.4 20.4 23.6 33.4 -26.1 15 16 A R H <> + 0 0 84 -3,-1.0 4,-2.8 1,-0.3 -1,-0.2 0.849 65.2 57.3 -49.6 -45.3 24.2 29.7 -25.3 16 17 A N H 34 S+ 0 0 83 -3,-0.4 -1,-0.3 1,-0.2 79,-0.2 0.821 117.9 34.8 -61.9 -28.2 20.6 28.9 -24.6 17 18 A L H <4 S+ 0 0 28 -3,-1.1 26,-2.3 2,-0.1 27,-0.3 0.809 128.1 33.1 -94.2 -34.9 19.7 30.1 -28.1 18 19 A L H X S- 0 0 3 -4,-2.8 4,-0.7 24,-0.2 -3,-0.2 0.642 105.9-124.7 -97.9 -13.4 22.7 29.0 -30.1 19 20 A G H X - 0 0 0 -4,-2.8 4,-2.4 -5,-0.4 76,-0.3 -0.022 37.5 -75.6 83.6 161.1 23.5 25.9 -28.1 20 21 A G H > S+ 0 0 5 74,-2.1 4,-2.1 1,-0.2 5,-0.2 0.916 132.5 50.1 -63.6 -39.7 27.0 25.5 -26.6 21 22 A K H > S+ 0 0 29 73,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.945 113.3 45.9 -64.2 -47.4 28.7 24.6 -29.9 22 23 A G H X S+ 0 0 1 -4,-0.7 4,-2.3 71,-0.2 -1,-0.2 0.909 112.6 49.3 -62.0 -40.6 27.2 27.6 -31.7 23 24 A C H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.881 112.7 48.1 -70.1 -30.5 28.0 30.0 -28.9 24 25 A N H X S+ 0 0 12 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.845 109.1 52.1 -74.8 -33.7 31.6 28.7 -28.8 25 26 A L H X S+ 0 0 9 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.935 112.8 47.5 -63.7 -40.0 31.9 29.0 -32.6 26 27 A A H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.948 110.2 51.4 -62.6 -50.0 30.7 32.6 -32.2 27 28 A E H X S+ 0 0 26 -4,-2.5 4,-1.1 1,-0.3 -1,-0.2 0.855 110.3 47.5 -58.5 -39.2 33.1 33.4 -29.3 28 29 A M H <>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 -1,-0.3 0.795 110.1 54.0 -74.4 -29.4 36.1 32.1 -31.3 29 30 A T H ><5S+ 0 0 32 -4,-1.5 3,-2.8 -5,-0.2 -2,-0.2 0.966 105.7 52.6 -64.7 -48.4 35.0 34.2 -34.2 30 31 A I H 3<5S+ 0 0 90 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.762 106.0 55.7 -54.6 -30.1 34.9 37.2 -31.9 31 32 A L T 3<5S- 0 0 43 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.510 116.6-116.4 -84.4 -4.7 38.4 36.4 -31.0 32 33 A G T < 5 + 0 0 66 -3,-2.8 -3,-0.2 1,-0.2 -2,-0.1 0.665 57.7 161.1 81.0 14.7 39.5 36.5 -34.6 33 34 A M < - 0 0 14 -5,-2.2 2,-2.6 1,-0.1 -1,-0.2 -0.282 56.4 -95.3 -72.8 156.3 40.5 32.8 -34.7 34 35 A P + 0 0 47 0, 0.0 298,-2.5 0, 0.0 -1,-0.1 -0.469 69.1 151.4 -72.5 77.4 40.9 30.8 -37.9 35 36 A I - 0 0 17 -2,-2.6 298,-0.1 296,-0.2 3,-0.1 -0.954 50.5-117.7-112.3 126.1 37.4 29.5 -37.8 36 37 A P - 0 0 10 0, 0.0 206,-0.1 0, 0.0 -7,-0.0 -0.415 42.6-106.2 -64.3 137.3 35.6 28.6 -41.1 37 38 A Q + 0 0 48 202,-0.1 203,-2.4 204,-0.1 2,-0.3 -0.245 58.1 127.2 -66.9 147.9 32.5 30.9 -41.4 38 39 A G E - B 0 239A 0 201,-0.2 -31,-1.8 -3,-0.1 2,-0.3 -0.950 39.6-112.8-174.1-166.3 29.0 29.6 -40.8 39 40 A F E -AB 6 238A 0 199,-2.5 199,-3.0 -2,-0.3 2,-0.4 -0.939 15.5-121.5-146.9 170.7 25.8 30.1 -39.0 40 41 A T E -AB 5 237A 2 -35,-3.3 -35,-2.4 -2,-0.3 2,-0.7 -0.949 4.9-150.1-124.2 130.8 23.5 28.7 -36.5 41 42 A V E -AB 4 236A 0 195,-2.9 195,-2.4 -2,-0.4 -37,-0.2 -0.895 45.4-118.8 -91.4 120.8 19.8 27.6 -36.7 42 43 A T > - 0 0 0 -39,-1.7 4,-1.0 -2,-0.7 3,-0.3 0.044 8.3-113.8 -65.1 163.4 18.6 28.2 -33.1 43 44 A T H > S+ 0 0 9 -26,-2.3 4,-1.4 1,-0.2 3,-0.3 0.830 118.1 61.5 -63.2 -30.7 17.2 26.0 -30.4 44 45 A E H > S+ 0 0 104 -27,-0.3 4,-3.1 1,-0.2 -1,-0.2 0.879 95.9 58.5 -63.5 -35.3 14.0 28.0 -30.8 45 46 A A H > S+ 0 0 0 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.855 104.4 53.2 -60.4 -34.0 13.8 26.8 -34.4 46 47 A C H X S+ 0 0 1 -4,-1.0 4,-1.8 -3,-0.3 -1,-0.2 0.849 109.1 46.5 -70.0 -35.9 13.8 23.3 -32.9 47 48 A T H X S+ 0 0 61 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.957 112.3 51.6 -71.7 -43.9 10.9 24.1 -30.6 48 49 A E H < S+ 0 0 53 -4,-3.1 4,-0.5 2,-0.2 -2,-0.2 0.898 106.8 53.1 -55.5 -44.6 9.1 25.7 -33.6 49 50 A Y H >< S+ 0 0 7 -4,-2.3 6,-1.4 1,-0.2 3,-1.0 0.931 112.0 46.5 -57.5 -43.1 9.7 22.5 -35.6 50 51 A Y H >< S+ 0 0 58 -4,-1.8 3,-0.7 1,-0.2 4,-0.3 0.782 109.0 53.9 -72.4 -26.5 8.1 20.6 -32.8 51 52 A N T 3< S+ 0 0 118 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.429 103.0 60.1 -86.0 1.4 5.2 23.1 -32.5 52 53 A S T < S- 0 0 39 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.1 -0.091 128.9 -86.6-119.0 34.2 4.4 22.7 -36.2 53 54 A G S < S- 0 0 60 -3,-0.7 -3,-0.2 1,-0.2 -2,-0.1 0.992 86.2 -54.3 58.3 62.3 3.7 19.0 -36.2 54 55 A K S S+ 0 0 93 -4,-0.3 2,-0.3 -5,-0.2 -4,-0.2 0.812 107.9 119.4 33.8 66.2 7.4 18.1 -36.7 55 56 A Q - 0 0 137 -6,-1.4 2,-0.4 -7,-0.2 -3,-0.1 -0.990 67.9-111.2-153.3 143.8 8.0 20.2 -39.8 56 57 A I - 0 0 23 -2,-0.3 2,-0.1 1,-0.1 -10,-0.0 -0.660 40.1-129.6 -77.9 127.7 10.2 23.0 -40.8 57 58 A T > - 0 0 29 -2,-0.4 4,-2.1 -12,-0.2 3,-0.5 -0.415 18.0-112.0 -77.8 156.2 8.2 26.2 -41.4 58 59 A Q H > S+ 0 0 126 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.860 115.8 54.6 -51.5 -44.6 8.5 28.2 -44.5 59 60 A E H > S+ 0 0 89 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.870 107.9 48.9 -61.5 -39.7 10.0 31.1 -42.6 60 61 A I H > S+ 0 0 0 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.965 111.8 46.7 -68.3 -50.4 12.8 29.0 -41.1 61 62 A Q H X S+ 0 0 54 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.922 109.6 55.9 -57.3 -41.7 13.8 27.4 -44.4 62 63 A D H X S+ 0 0 77 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.936 109.8 46.4 -55.5 -44.5 13.7 30.8 -46.0 63 64 A Q H X S+ 0 0 30 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.782 109.2 52.9 -72.0 -27.1 16.2 32.0 -43.4 64 65 A I H X S+ 0 0 1 -4,-2.0 4,-2.5 -3,-0.2 -2,-0.2 0.953 112.5 44.8 -67.0 -54.5 18.5 29.0 -43.7 65 66 A F H X S+ 0 0 31 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.889 109.3 56.9 -60.6 -38.4 18.7 29.5 -47.5 66 67 A E H X S+ 0 0 127 -4,-2.3 4,-2.0 -5,-0.3 3,-0.3 0.975 109.4 44.6 -55.3 -54.3 19.2 33.2 -47.0 67 68 A A H X S+ 0 0 12 -4,-1.9 4,-2.4 1,-0.3 -2,-0.2 0.864 108.6 57.4 -59.5 -37.1 22.3 32.5 -44.8 68 69 A I H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -1,-0.3 0.928 106.2 50.6 -58.0 -41.6 23.5 29.9 -47.2 69 70 A T H X S+ 0 0 60 -4,-2.5 4,-2.0 -3,-0.3 -2,-0.2 0.927 107.2 53.0 -63.9 -40.3 23.5 32.7 -49.8 70 71 A W H X S+ 0 0 31 -4,-2.0 4,-1.5 1,-0.2 -1,-0.3 0.884 108.4 51.5 -58.9 -38.2 25.4 34.9 -47.4 71 72 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 6,-0.2 0.906 106.7 53.6 -65.1 -44.3 28.0 32.0 -47.2 72 73 A E H X>S+ 0 0 36 -4,-2.4 4,-2.9 1,-0.2 5,-1.0 0.883 105.9 52.2 -56.5 -44.7 28.3 31.8 -50.9 73 74 A E H <5S+ 0 0 150 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.867 109.5 49.2 -61.2 -41.8 29.1 35.5 -51.3 74 75 A L H <5S+ 0 0 96 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.942 120.2 37.0 -63.3 -47.8 31.9 35.3 -48.7 75 76 A N H <5S- 0 0 53 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.745 99.2-130.4 -76.0 -28.7 33.4 32.3 -50.4 76 77 A G T <5S+ 0 0 64 -4,-2.9 2,-0.4 1,-0.3 -3,-0.2 0.621 74.9 103.8 82.8 11.8 32.7 33.2 -54.1 77 78 A K S - 0 0 135 6,-0.4 3,-2.8 -2,-0.4 8,-1.3 -0.687 41.5 -97.0 -89.7 134.2 27.6 28.5 -55.0 79 80 A F B 3 S-e 86 0B 14 -2,-0.4 8,-0.2 1,-0.3 121,-0.1 -0.213 102.0 -12.9 -51.2 114.0 26.5 25.8 -52.6 80 81 A G T 3 S+ 0 0 5 6,-2.4 -1,-0.3 1,-0.2 34,-0.2 0.725 92.8 178.3 64.1 19.9 26.8 22.4 -54.2 81 82 A D < - 0 0 42 -3,-2.8 -1,-0.2 3,-0.3 37,-0.1 -0.224 38.5-125.3 -57.8 140.2 27.3 24.0 -57.6 82 83 A T S S+ 0 0 66 2,-0.1 35,-0.5 1,-0.1 -1,-0.1 0.795 104.5 33.2 -56.3 -27.1 27.9 21.7 -60.5 83 84 A E S S+ 0 0 102 1,-0.2 38,-0.3 34,-0.1 -1,-0.1 0.935 135.9 0.5 -97.3 -59.5 31.2 23.6 -61.3 84 85 A D S S- 0 0 52 -6,-0.1 -6,-0.4 36,-0.1 -3,-0.3 -0.730 83.9-161.6-131.4 78.7 33.0 25.0 -58.3 85 86 A P - 0 0 5 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.258 19.2-142.0 -76.5 157.2 31.0 24.0 -55.3 86 87 A L B -e 79 0B 4 -8,-1.3 -6,-2.4 23,-0.1 2,-0.3 -0.917 26.8-164.2-101.8 130.2 30.9 25.3 -51.8 87 88 A L - 0 0 6 -2,-0.5 154,-2.0 -8,-0.2 2,-0.3 -0.843 3.5-159.1-116.3 156.3 30.4 22.3 -49.4 88 89 A V E -CD 108 240A 0 20,-2.2 20,-1.8 -2,-0.3 2,-0.4 -0.916 16.5-130.3-134.6 159.6 29.4 22.5 -45.7 89 90 A S E - D 0 239A 8 150,-3.2 150,-2.8 -2,-0.3 2,-0.5 -0.858 18.6-155.9-105.0 146.7 29.4 20.7 -42.5 90 91 A V E +CD 105 238A 2 15,-2.4 15,-1.8 -2,-0.4 2,-0.4 -0.985 18.4 173.7-121.7 118.5 26.2 20.4 -40.5 91 92 A R E -CD 104 237A 25 146,-3.4 146,-3.6 -2,-0.5 13,-0.2 -0.982 20.6-140.6-134.1 134.4 26.6 19.7 -36.8 92 93 A S E + D 0 236A 2 11,-2.0 2,-0.2 -2,-0.4 144,-0.2 -0.511 24.6 164.5 -88.5 151.9 24.0 19.6 -33.9 93 94 A G E - D 0 235A 3 142,-2.0 142,-2.0 -2,-0.2 -71,-0.2 -0.802 17.4-155.9-170.1 123.9 24.5 21.0 -30.4 94 95 A A - 0 0 3 2,-0.5 -74,-2.1 140,-0.2 -73,-0.4 -0.412 45.5 -90.5 -94.2 173.1 22.2 21.8 -27.5 95 96 A R S S+ 0 0 65 138,-0.4 2,-0.4 -76,-0.3 139,-0.1 0.841 117.3 59.8 -51.1 -36.5 22.7 24.3 -24.6 96 97 A A S S- 0 0 22 -80,-0.1 -2,-0.5 -76,-0.0 2,-0.2 -0.814 93.0-120.4-101.3 139.7 24.3 21.3 -22.8 97 98 A S - 0 0 32 -2,-0.4 -2,-0.1 -4,-0.1 -4,-0.1 -0.559 28.3-178.0 -73.2 133.3 27.4 19.5 -24.1 98 99 A M > - 0 0 4 -2,-0.2 3,-2.1 -4,-0.1 4,-0.4 -0.614 16.1-153.4-134.6 72.0 26.6 15.8 -24.8 99 100 A P T 3 S+ 0 0 12 0, 0.0 362,-0.0 0, 0.0 -2,-0.0 -0.225 77.7 13.3 -51.4 130.9 29.9 14.2 -26.0 100 101 A G T 3 S+ 0 0 28 1,-0.0 358,-0.1 357,-0.0 354,-0.0 0.340 114.6 78.9 85.1 -2.0 29.5 11.2 -28.2 101 102 A M S < S+ 0 0 21 -3,-2.1 2,-0.1 330,-0.1 121,-0.0 0.513 72.2 78.4-114.4 -9.3 25.8 11.8 -28.7 102 103 A M S S- 0 0 44 -4,-0.4 2,-0.4 -10,-0.1 -9,-0.1 -0.305 74.0-101.5 -97.8-176.5 25.4 14.5 -31.3 103 104 A D - 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0 0 0 -31,-2.2 2,-0.3 -3,-0.4 -31,-0.2 -0.967 62.2-123.4-159.4 166.5 41.8 12.0 -42.7 276 277 A Q >> - 0 0 4 -2,-0.3 3,-1.4 -32,-0.1 4,-0.8 -0.822 47.0 -96.3-114.8 164.5 38.5 13.3 -41.7 277 278 A G H >> S+ 0 0 32 -2,-0.3 4,-1.9 1,-0.3 3,-1.0 0.874 120.4 65.5 -41.8 -50.3 37.3 13.4 -38.0 278 279 A E H 3> S+ 0 0 47 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.861 96.8 56.9 -38.7 -49.8 35.5 10.1 -38.4 279 280 A D H <>>S+ 0 0 26 -3,-1.4 4,-1.6 2,-0.2 5,-0.5 0.844 104.9 48.9 -54.5 -46.2 38.8 8.3 -39.0 280 281 A V H <<5S+ 0 0 1 -3,-1.0 170,-0.6 -4,-0.8 3,-0.5 0.947 111.5 49.3 -61.8 -53.7 40.4 9.4 -35.7 281 282 A V H <5S+ 0 0 60 -4,-1.9 173,-0.3 1,-0.2 169,-0.2 0.914 111.7 50.8 -54.4 -43.5 37.3 8.4 -33.7 282 283 A A H <5S- 0 0 23 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.785 87.3-153.6 -68.9 -29.5 37.3 5.0 -35.4 283 284 A G T <5 + 0 0 11 -4,-1.6 166,-0.4 -3,-0.5 -3,-0.1 0.674 50.1 133.3 65.5 18.1 40.9 4.0 -34.9 284 285 A V S -H 270 0C 68 0, 0.0 3,-2.2 0, 0.0 4,-0.5 -0.346 32.9-116.7 -63.6 138.4 49.3 11.1 -29.9 290 291 A I G > S+ 0 0 2 -21,-2.8 3,-1.8 1,-0.3 4,-0.4 0.853 110.9 64.3 -45.6 -42.9 48.9 14.8 -30.3 291 292 A T G > S+ 0 0 78 1,-0.3 3,-1.3 -22,-0.3 -1,-0.3 0.794 92.0 65.6 -55.4 -27.4 52.4 15.6 -29.1 292 293 A Q G X> S+ 0 0 78 -3,-2.2 3,-2.3 1,-0.3 4,-1.2 0.751 79.9 77.8 -69.0 -23.7 53.8 13.8 -32.1 293 294 A L H <> S+ 0 0 1 -3,-1.8 4,-3.0 -4,-0.5 -1,-0.3 0.805 82.9 68.9 -54.7 -26.3 52.3 16.4 -34.5 294 295 A E H <4 S+ 0 0 105 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.830 99.8 47.9 -62.3 -31.4 55.3 18.5 -33.4 295 296 A N H <4 S+ 0 0 125 -3,-2.3 -1,-0.2 -4,-0.2 -2,-0.2 0.903 118.7 37.9 -74.1 -43.2 57.6 16.0 -35.3 296 297 A D H < S+ 0 0 81 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.919 136.0 12.5 -73.0 -51.2 55.5 16.0 -38.5 297 298 A M X + 0 0 30 -4,-3.0 4,-1.8 -5,-0.1 -1,-0.2 -0.655 64.8 173.3-134.0 76.1 54.4 19.7 -38.7 298 299 A P H > S+ 0 0 72 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.853 80.5 49.2 -50.4 -45.2 56.4 21.9 -36.3 299 300 A D H > S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.894 112.3 46.7 -67.2 -41.3 55.0 25.2 -37.5 300 301 A C H > S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.792 112.3 52.8 -69.7 -27.6 51.4 24.1 -37.4 301 302 A Y H X S+ 0 0 22 -4,-1.8 4,-3.3 -8,-0.2 5,-0.3 0.882 106.6 51.4 -70.7 -44.7 52.0 22.7 -33.9 302 303 A K H X S+ 0 0 120 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.962 112.9 45.6 -55.8 -55.2 53.4 25.9 -32.7 303 304 A Q H X S+ 0 0 89 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.913 114.3 49.0 -54.7 -46.7 50.3 27.8 -34.0 304 305 A F H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.928 111.0 48.2 -61.6 -48.3 48.0 25.1 -32.5 305 306 A M H X S+ 0 0 44 -4,-3.3 4,-2.0 2,-0.2 5,-0.2 0.872 112.9 50.2 -63.1 -36.4 49.6 25.1 -29.0 306 307 A D H X S+ 0 0 78 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.960 113.6 43.2 -66.7 -48.6 49.5 29.0 -29.0 307 308 A L H X S+ 0 0 37 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.870 111.7 56.5 -62.9 -36.4 45.8 29.2 -29.9 308 309 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.895 109.2 44.4 -61.5 -44.2 45.1 26.3 -27.5 309 310 A M H X S+ 0 0 50 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.885 111.2 55.3 -68.8 -36.3 46.6 28.3 -24.6 310 311 A K H X S+ 0 0 86 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.874 108.5 48.4 -63.0 -34.4 44.8 31.4 -25.8 311 312 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.888 110.3 48.9 -73.3 -41.6 41.5 29.4 -25.6 312 313 A E H X>S+ 0 0 8 -4,-1.9 4,-1.6 2,-0.2 5,-0.9 0.913 114.1 48.4 -62.5 -41.8 42.1 28.0 -22.1 313 314 A K H <5S+ 0 0 145 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.860 112.9 47.1 -68.0 -35.2 43.0 31.6 -20.9 314 315 A H H <5S+ 0 0 67 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.931 121.9 34.4 -69.6 -46.3 39.9 33.1 -22.6 315 316 A F H <5S- 0 0 36 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.623 100.5-136.7 -84.8 -14.3 37.5 30.5 -21.2 316 317 A R T <5S+ 0 0 91 -4,-1.6 2,-0.3 -5,-0.2 -3,-0.2 0.827 71.7 77.0 60.3 35.9 39.4 30.2 -18.0 317 318 A D S S- I 0 329C 32 3,-3.0 3,-1.5 -2,-0.6 -76,-0.2 -0.904 71.5 -37.1-108.4 109.5 44.2 21.7 -44.7 327 328 A E T 3 S- 0 0 113 -2,-0.7 -77,-0.2 -84,-0.3 -1,-0.2 0.934 128.7 -36.8 41.9 60.8 47.4 21.5 -46.8 328 329 A G T 3 S+ 0 0 42 -79,-2.7 2,-0.6 1,-0.1 -1,-0.3 0.458 114.7 113.1 78.1 0.4 49.5 23.3 -44.1 329 330 A K E < -I 326 0C 117 -3,-1.5 -3,-3.0 -80,-0.2 2,-0.4 -0.937 59.7-136.0-115.3 121.0 46.9 25.7 -42.9 330 331 A L E +I 325 0C 5 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.542 22.8 179.2 -77.4 124.9 45.4 25.4 -39.4 331 332 A Y E -I 324 0C 53 -7,-3.0 -7,-2.7 -2,-0.4 2,-0.5 -0.963 20.0-144.1-124.5 143.9 41.8 25.7 -38.7 332 333 A F E +I 323 0C 0 -298,-2.5 -9,-0.2 -2,-0.4 3,-0.1 -0.922 18.4 175.3-103.5 131.4 39.9 25.4 -35.4 333 334 A L E + 0 0 28 -11,-2.5 2,-0.3 -2,-0.5 -10,-0.2 0.649 61.4 0.7-103.6 -27.3 36.4 23.8 -35.7 334 335 A Q E -I 322 0C 6 -12,-1.4 -12,-2.0 -310,-0.0 -1,-0.3 -0.992 47.8-179.8-162.7 153.5 35.3 23.5 -32.1 335 336 A T E +I 321 0C 1 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.947 13.8 158.9-153.7 148.1 36.2 24.2 -28.5 336 337 A R E -I 320 0C 31 -16,-0.9 -16,-2.6 -2,-0.3 2,-0.4 -0.937 56.0 -80.7-160.6 159.6 34.2 23.5 -25.2 337 338 A N E -I 319 0C 80 -2,-0.3 -18,-0.3 -18,-0.2 -19,-0.1 -0.600 66.1-110.9 -66.8 126.5 35.1 23.2 -21.5 338 339 A G - 0 0 3 -20,-1.8 -20,-0.1 -2,-0.4 -1,-0.1 -0.294 19.6-121.6 -65.9 137.2 36.3 19.6 -21.6 339 340 A K + 0 0 77 -2,-0.1 2,-0.3 -3,-0.0 122,-0.1 -0.430 44.4 173.2 -68.5 155.7 34.4 16.8 -19.9 340 341 A R - 0 0 38 121,-0.1 -79,-0.2 120,-0.1 -81,-0.0 -0.990 34.5 -95.0-161.8 159.9 36.6 15.1 -17.3 341 342 A T > - 0 0 0 -81,-2.6 4,-2.2 -2,-0.3 5,-0.1 -0.274 45.9-104.8 -72.2 166.6 36.7 12.6 -14.5 342 343 A A H > S+ 0 0 0 29,-0.3 4,-2.2 2,-0.2 5,-0.3 0.945 120.6 49.8 -62.0 -46.9 36.3 13.7 -10.8 343 344 A P H > S+ 0 0 57 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.947 112.3 49.5 -56.1 -43.0 40.1 13.4 -10.0 344 345 A A H > S+ 0 0 0 -83,-0.5 4,-2.7 -84,-0.2 5,-0.2 0.907 108.7 52.6 -63.7 -36.9 40.9 15.4 -13.1 345 346 A A H X S+ 0 0 8 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.876 112.3 44.7 -65.5 -39.6 38.3 18.1 -12.1 346 347 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.950 115.4 47.3 -69.1 -50.6 39.8 18.6 -8.6 347 348 A Q H X S+ 0 0 70 -4,-2.7 4,-2.8 -5,-0.3 -2,-0.2 0.939 116.8 43.5 -55.3 -52.2 43.4 18.6 -9.9 348 349 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.904 112.5 49.1 -63.5 -46.4 42.6 21.0 -12.7 349 350 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.915 114.3 50.3 -62.0 -38.6 40.4 23.4 -10.6 350 351 A C H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 3,-0.3 0.930 109.9 47.3 -64.9 -46.0 43.2 23.4 -8.1 351 352 A D H X S+ 0 0 36 -4,-2.8 4,-1.9 -5,-0.2 6,-0.3 0.922 109.4 55.1 -64.8 -37.1 45.9 24.1 -10.6 352 353 A L H <>S+ 0 0 0 -4,-2.7 5,-1.9 1,-0.2 6,-1.4 0.801 108.7 46.9 -65.2 -30.7 43.8 27.0 -12.1 353 354 A V H ><5S+ 0 0 24 -4,-1.5 3,-1.5 -3,-0.3 -1,-0.2 0.901 111.7 51.3 -73.6 -45.6 43.5 28.7 -8.7 354 355 A D H 3<5S+ 0 0 97 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.809 107.7 51.6 -61.3 -30.1 47.2 28.3 -8.0 355 356 A E T 3<5S- 0 0 87 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.471 117.3-116.2 -84.8 -2.1 48.2 29.8 -11.4 356 357 A G T < 5S+ 0 0 64 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.611 82.5 122.0 78.7 14.5 45.9 32.7 -10.4 357 358 A M S - 0 0 62 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.462 32.6-109.2 -90.5 168.9 39.1 32.1 -7.7 360 361 A E H > S+ 0 0 56 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.897 122.1 54.8 -61.5 -38.9 38.4 29.4 -5.1 361 362 A E H > S+ 0 0 84 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.901 108.4 48.4 -61.2 -42.0 34.6 30.3 -5.6 362 363 A E H > S+ 0 0 54 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.889 110.2 51.8 -66.9 -39.4 35.0 29.6 -9.3 363 364 A A H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.932 111.7 46.2 -60.9 -48.5 36.8 26.3 -8.7 364 365 A V H >< S+ 0 0 0 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.943 111.9 50.6 -59.0 -49.9 34.0 25.1 -6.3 365 366 A V H 3< S+ 0 0 56 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.805 106.8 54.2 -60.7 -30.9 31.2 26.2 -8.6 366 367 A R H 3< S+ 0 0 75 -4,-1.7 -1,-0.2 -5,-0.1 2,-0.2 0.765 81.4 96.0 -84.1 -21.0 32.5 24.5 -11.7 367 368 A I S << S- 0 0 6 -4,-1.0 2,-0.9 -3,-0.6 3,-0.1 -0.445 79.4-121.2 -73.1 134.6 33.0 20.9 -10.5 368 369 A E > - 0 0 83 -2,-0.2 3,-1.0 1,-0.2 4,-0.3 -0.667 22.9-156.1 -76.8 108.5 30.2 18.5 -11.3 369 370 A A G > S+ 0 0 4 -2,-0.9 3,-2.4 1,-0.3 4,-0.2 0.858 86.2 59.8 -57.2 -44.6 29.1 17.3 -7.8 370 371 A K G > S+ 0 0 74 1,-0.3 3,-1.5 2,-0.1 -1,-0.3 0.836 95.1 67.1 -55.5 -32.3 27.5 14.0 -8.9 371 372 A S G X S+ 0 0 8 -3,-1.0 3,-1.8 1,-0.3 -29,-0.3 0.644 77.2 81.6 -65.5 -13.9 30.8 13.0 -10.4 372 373 A L G X S+ 0 0 1 -3,-2.4 3,-0.8 -4,-0.3 4,-0.3 0.580 70.6 80.3 -70.1 -3.2 32.5 12.8 -6.9 373 374 A D G X S+ 0 0 67 -3,-1.5 3,-1.4 1,-0.2 -1,-0.3 0.812 81.7 68.4 -68.1 -26.4 31.0 9.3 -6.5 374 375 A Q G X S+ 0 0 26 -3,-1.8 3,-1.7 1,-0.2 -1,-0.2 0.856 86.6 65.8 -57.8 -36.5 33.9 8.2 -8.7 375 376 A L G < S+ 0 0 24 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.703 103.2 47.0 -59.5 -22.7 36.4 9.1 -5.9 376 377 A L G < S+ 0 0 14 -3,-1.4 138,-0.3 -4,-0.3 -1,-0.3 0.242 77.9 124.0-106.7 10.1 35.0 6.3 -3.8 377 378 A H S < S- 0 0 80 -3,-1.7 135,-0.1 -4,-0.1 137,-0.1 -0.496 75.1 -99.5 -66.1 139.3 34.9 3.5 -6.3 378 379 A P - 0 0 63 0, 0.0 23,-0.6 0, 0.0 2,-0.3 -0.296 37.3-150.9 -59.2 145.2 36.8 0.5 -5.0 379 380 A T E -J 512 0D 65 133,-1.9 133,-3.7 21,-0.1 2,-0.0 -0.733 33.6 -81.1-110.7 166.6 40.4 0.3 -6.5 380 381 A F E -J 511 0D 14 131,-0.3 131,-0.3 -2,-0.3 -1,-0.1 -0.325 40.8-109.9 -69.7 147.2 42.2 -3.0 -6.9 381 382 A N > - 0 0 35 129,-3.4 4,-2.0 1,-0.2 5,-0.2 -0.685 31.4-139.3 -73.4 114.4 43.9 -4.7 -4.0 382 383 A P H > S+ 0 0 81 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.853 99.3 53.6 -43.9 -45.0 47.6 -4.2 -5.1 383 384 A A H >> S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 3,-0.5 0.989 110.4 46.6 -56.8 -57.5 48.6 -7.7 -4.0 384 385 A A H 3> S+ 0 0 22 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.816 110.5 54.7 -50.5 -35.5 45.8 -9.3 -6.0 385 386 A L H 3< S+ 0 0 39 -4,-2.0 -1,-0.2 2,-0.2 3,-0.2 0.892 109.8 44.2 -70.0 -42.0 46.7 -7.1 -9.0 386 387 A K H << S+ 0 0 193 -4,-2.2 -2,-0.2 -3,-0.5 -1,-0.2 0.871 114.1 51.4 -68.4 -38.3 50.4 -8.2 -9.0 387 388 A A H < S+ 0 0 87 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.659 95.8 107.9 -70.9 -15.1 49.2 -11.8 -8.5 388 389 A G S < S- 0 0 22 -4,-0.5 2,-1.0 -5,-0.3 119,-0.1 -0.283 75.9-116.4 -72.3 151.0 46.9 -11.2 -11.5 389 390 A E - 0 0 113 117,-0.5 117,-1.9 -2,-0.1 2,-0.3 -0.700 23.4-152.2 -89.2 99.9 47.2 -12.7 -14.9 390 391 A V E +K 505 0E 77 -2,-1.0 115,-0.2 115,-0.2 3,-0.1 -0.510 19.4 173.6 -69.5 128.7 47.7 -10.0 -17.5 391 392 A I E - 0 0 19 113,-3.2 2,-0.3 1,-0.4 114,-0.2 0.388 63.0 -25.3-114.6 -2.9 46.3 -11.2 -20.9 392 393 A G E -K 504 0E 17 112,-0.9 112,-2.5 93,-0.1 -1,-0.4 -0.952 55.7-141.5 170.4 171.5 46.7 -8.0 -22.9 393 394 A S E +K 503 0E 66 -2,-0.3 79,-0.2 110,-0.2 110,-0.2 -0.988 22.3 148.5-154.4 158.7 47.0 -4.2 -22.7 394 395 A A - 0 0 25 108,-1.0 75,-0.2 -2,-0.3 76,-0.1 -0.719 54.2 -17.5-161.5-150.0 45.9 -1.1 -24.6 395 396 A L E -L 468 0E 64 73,-2.4 2,-2.0 -2,-0.2 73,-1.7 -0.526 47.4-135.1 -79.1 134.5 44.9 2.6 -23.9 396 397 A P E +L 467 0E 37 0, 0.0 71,-0.2 0, 0.0 103,-0.1 -0.637 41.6 164.4 -83.1 82.3 43.9 3.7 -20.4 397 398 A A E + 0 0 0 -2,-2.0 70,-0.2 69,-1.1 63,-0.1 0.902 65.2 8.6 -70.5 -43.6 40.9 5.6 -21.9 398 399 A S E S-L 466 0E 0 68,-2.3 68,-2.6 -3,-0.3 -1,-0.3 -0.972 86.3-114.8-144.2 128.9 39.0 6.1 -18.7 399 400 A P + 0 0 30 0, 0.0 2,-0.1 0, 0.0 101,-0.1 -0.004 56.5 84.3 -61.1 160.6 40.3 5.3 -15.1 400 401 A G S S- 0 0 29 65,-0.1 99,-2.9 64,-0.1 2,-0.8 -0.347 70.6 -88.9 127.3 155.5 39.0 2.7 -12.7 401 402 A A E -M 498 0E 31 -23,-0.6 2,-0.4 97,-0.2 97,-0.2 -0.853 46.4-179.1 -97.6 105.2 39.2 -0.9 -11.5 402 403 A A E +M 497 0E 0 95,-2.7 95,-2.7 -2,-0.8 2,-0.3 -0.903 8.2 169.9-110.6 139.6 36.5 -2.8 -13.4 403 404 A A E +M 496 0E 9 -2,-0.4 2,-0.3 93,-0.2 93,-0.2 -0.952 23.2 113.7-146.9 124.5 35.8 -6.5 -12.9 404 405 A G E -M 495 0E 0 91,-2.2 91,-1.9 -2,-0.3 2,-0.3 -0.993 61.9 -65.4-174.4-179.7 32.8 -8.4 -14.3 405 406 A K E -Mn 494 423E 43 17,-2.9 19,-2.5 -2,-0.3 89,-0.2 -0.658 56.7-114.4 -87.1 135.3 31.2 -11.0 -16.6 406 407 A V E + n 0 424E 0 87,-1.7 86,-3.0 84,-0.3 2,-0.3 -0.462 34.6 175.3 -79.7 141.9 31.6 -10.3 -20.3 407 408 A Y E - n 0 425E 21 17,-2.2 19,-2.3 84,-0.2 3,-0.0 -0.953 22.0-151.0-136.3 153.7 28.8 -9.5 -22.7 408 409 A F S S+ 0 0 6 -2,-0.3 2,-0.3 17,-0.2 17,-0.1 0.361 75.0 50.8-111.9 0.7 29.0 -8.5 -26.3 409 410 A T S > S- 0 0 45 1,-0.1 4,-2.4 18,-0.1 5,-0.2 -0.988 77.4-125.4-134.8 144.8 25.9 -6.3 -26.9 410 411 A A H > S+ 0 0 7 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.880 112.9 53.9 -56.4 -35.4 24.8 -3.2 -24.9 411 412 A D H > S+ 0 0 121 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.921 109.1 45.3 -67.5 -42.4 21.4 -5.0 -24.5 412 413 A E H > S+ 0 0 46 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.942 112.5 51.6 -64.7 -45.0 22.8 -8.2 -23.0 413 414 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.904 113.2 45.5 -57.4 -43.5 25.1 -6.3 -20.7 414 415 A K H X S+ 0 0 51 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.937 112.9 49.0 -67.3 -47.2 22.2 -4.3 -19.4 415 416 A A H X S+ 0 0 44 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.914 114.0 47.9 -57.8 -40.9 19.9 -7.3 -19.0 416 417 A A H ><>S+ 0 0 5 -4,-3.2 5,-1.8 1,-0.2 3,-0.6 0.919 110.2 50.3 -68.4 -43.8 22.7 -9.1 -17.2 417 418 A H H ><5S+ 0 0 78 -4,-2.4 3,-2.5 1,-0.2 -1,-0.2 0.928 105.4 58.2 -59.7 -42.7 23.4 -6.2 -14.9 418 419 A E H 3<5S+ 0 0 132 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.765 99.5 57.2 -59.0 -28.5 19.7 -5.9 -14.0 419 420 A K T <<5S- 0 0 168 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.407 132.9 -94.5 -81.8 3.8 19.8 -9.5 -12.8 420 421 A G T < 5S+ 0 0 67 -3,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.730 79.2 139.3 94.3 21.2 22.5 -8.4 -10.4 421 422 A E < - 0 0 47 -5,-1.8 2,-0.5 -8,-0.1 -1,-0.3 -0.719 55.1-125.5 -99.1 149.0 25.7 -9.2 -12.3 422 423 A R - 0 0 82 -2,-0.3 -17,-2.9 19,-0.1 2,-0.3 -0.816 42.9-160.0 -85.0 130.1 28.8 -7.0 -12.5 423 424 A V E -n 405 0E 0 -2,-0.5 19,-2.9 17,-0.4 20,-0.9 -0.861 24.6-159.2-120.7 151.5 29.2 -6.7 -16.3 424 425 A I E -no 406 443E 0 -19,-2.5 -17,-2.2 -2,-0.3 2,-0.5 -0.993 18.0-145.8-126.4 120.8 32.1 -5.9 -18.7 425 426 A L E -no 407 444E 0 18,-2.0 20,-2.8 -2,-0.4 2,-0.5 -0.800 15.4-171.3 -89.9 123.1 31.0 -4.7 -22.3 426 427 A V E + o 0 445E 0 -19,-2.3 2,-0.3 -2,-0.5 20,-0.2 -0.973 19.0 152.8-114.8 123.2 33.5 -5.9 -24.9 427 428 A R E - o 0 446E 48 18,-2.2 20,-1.3 -2,-0.5 21,-0.2 -0.966 59.4-113.2-147.5 162.3 32.9 -4.5 -28.4 428 429 A L S S- 0 0 80 1,-0.3 20,-2.8 -2,-0.3 19,-0.5 0.935 100.6 -38.8 -59.6 -41.9 34.7 -3.6 -31.6 429 430 A E S S- 0 0 58 18,-0.2 -1,-0.3 17,-0.2 2,-0.2 -0.919 70.8-108.6-170.8 164.9 33.8 0.1 -30.7 430 431 A T - 0 0 5 -2,-0.3 24,-0.2 -3,-0.1 25,-0.2 -0.676 24.0-165.0-108.1 170.4 30.7 1.6 -29.1 431 432 A S > - 0 0 26 -2,-0.2 3,-3.3 23,-0.1 4,-0.4 -0.935 43.8 -91.9-146.5 160.9 28.0 3.9 -30.6 432 433 A P G > S+ 0 0 30 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.778 123.9 65.2 -45.3 -35.0 25.2 6.2 -29.1 433 434 A E G 3 S+ 0 0 107 1,-0.2 3,-0.3 2,-0.1 4,-0.2 0.723 96.4 55.9 -61.4 -25.1 22.9 3.1 -29.4 434 435 A D G X> S+ 0 0 15 -3,-3.3 4,-2.7 1,-0.2 3,-1.1 0.506 75.0 108.3 -85.1 -6.7 25.1 1.3 -26.7 435 436 A I H <> S+ 0 0 2 -3,-1.2 4,-2.4 -4,-0.4 -1,-0.2 0.804 75.6 47.4 -41.4 -51.3 24.7 4.0 -24.2 436 437 A E H 3> S+ 0 0 58 -3,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.806 114.4 46.6 -66.3 -31.6 22.3 2.1 -21.8 437 438 A G H <> S+ 0 0 1 -3,-1.1 4,-0.9 2,-0.2 -1,-0.2 0.885 112.1 52.4 -75.9 -34.9 24.5 -1.0 -21.8 438 439 A M H >< S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.2 -2,-0.2 0.913 107.3 51.6 -62.4 -42.3 27.6 1.2 -21.2 439 440 A H H 3< S+ 0 0 102 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.782 108.8 52.3 -66.8 -26.8 25.9 2.9 -18.3 440 441 A A H 3< S+ 0 0 10 -4,-0.9 -17,-0.4 -5,-0.2 -1,-0.2 0.655 94.1 97.9 -83.0 -15.5 25.2 -0.6 -16.8 441 442 A A << - 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0 0 19 -3,-1.1 3,-0.1 -4,-0.7 -3,-0.1 -0.056 56.8-156.5 -65.0 174.7 2.0 -12.3 23.9 581 582 A D + 0 0 151 1,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.117 69.2 68.2-140.1 16.2 -1.5 -11.6 25.1 582 583 A S S > S- 0 0 48 1,-0.1 4,-2.0 0, 0.0 5,-0.2 -0.997 70.3-138.0-139.3 142.1 -0.7 -9.2 28.1 583 584 A V H > S+ 0 0 60 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.861 113.2 55.1 -65.6 -29.0 0.8 -5.7 28.2 584 585 A E H > S+ 0 0 126 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.932 108.6 43.8 -66.4 -46.5 2.7 -7.2 31.1 585 586 A A H > S+ 0 0 30 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.786 111.6 55.8 -71.8 -23.9 4.1 -10.0 29.1 586 587 A R H X S+ 0 0 49 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.960 109.9 44.9 -70.7 -46.3 4.9 -7.6 26.2 587 588 A E H X S+ 0 0 49 -4,-2.3 4,-3.5 1,-0.2 -2,-0.2 0.939 112.1 51.4 -60.6 -46.9 6.9 -5.4 28.5 588 589 A E H X S+ 0 0 137 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.934 112.3 46.2 -59.9 -44.8 8.8 -8.3 30.0 589 590 A A H >< S+ 0 0 1 -4,-2.0 3,-0.6 1,-0.2 4,-0.5 0.963 114.9 48.2 -60.6 -50.0 9.7 -9.6 26.6 590 591 A L H >X S+ 0 0 1 -4,-3.0 3,-2.4 1,-0.2 4,-0.6 0.909 103.3 61.4 -54.3 -48.1 10.7 -6.1 25.5 591 592 A N H >< S+ 0 0 86 -4,-3.5 3,-1.5 1,-0.3 -1,-0.2 0.846 92.3 64.7 -51.4 -39.6 12.8 -5.6 28.6 592 593 A E T << S+ 0 0 73 -4,-1.4 4,-0.5 -3,-0.6 -1,-0.3 0.757 98.2 58.2 -56.3 -23.1 15.1 -8.5 27.6 593 594 A L T <> S+ 0 0 0 -3,-2.4 4,-2.3 -4,-0.5 3,-0.3 0.749 84.1 83.5 -78.3 -22.5 16.1 -6.4 24.6 594 595 A I H S+ 0 0 83 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.911 113.9 47.5 -51.9 -39.8 20.8 -4.8 27.4 596 597 A F H > S+ 0 0 68 -4,-0.5 4,-1.5 -3,-0.3 -2,-0.2 0.907 116.6 39.8 -67.0 -43.4 21.4 -5.5 23.7 597 598 A Q H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.861 111.1 56.5 -76.2 -36.8 20.2 -2.3 22.3 598 599 A K H X S+ 0 0 36 -4,-3.4 4,-2.0 -5,-0.3 -1,-0.2 0.901 108.7 51.9 -59.8 -34.7 21.8 -0.2 25.0 599 600 A G H X S+ 0 0 36 -4,-1.5 4,-1.7 -5,-0.4 -1,-0.2 0.875 106.2 50.0 -70.4 -41.5 24.9 -1.9 23.9 600 601 A D H X S+ 0 0 37 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.936 112.8 49.5 -64.5 -40.0 24.5 -1.0 20.3 601 602 A F H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.828 106.3 53.7 -69.1 -31.4 23.8 2.6 21.3 602 603 A K H X S+ 0 0 44 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.904 107.3 52.6 -67.2 -40.8 26.9 3.0 23.6 603 604 A A H X S+ 0 0 44 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.866 110.9 47.3 -60.2 -37.4 29.0 1.8 20.7 604 605 A M H X S+ 0 0 2 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.954 113.0 46.3 -73.0 -43.7 27.5 4.5 18.4 605 606 A Y H X S+ 0 0 9 -4,-2.4 4,-1.6 1,-0.2 5,-0.5 0.839 110.5 56.2 -66.6 -29.9 28.0 7.3 21.0 606 607 A K H < S+ 0 0 133 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.916 111.7 41.3 -66.5 -41.5 31.5 6.0 21.6 607 608 A A H < S+ 0 0 12 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.813 111.1 58.7 -78.2 -23.8 32.2 6.4 17.9 608 609 A L H >< S- 0 0 0 -4,-2.1 3,-1.5 -5,-0.1 -2,-0.2 0.838 79.9-161.4 -73.7 -32.2 30.4 9.7 17.7 609 610 A E T 3< S- 0 0 122 -4,-1.6 -3,-0.1 1,-0.3 88,-0.1 0.889 77.7 -35.4 53.2 42.5 32.5 11.6 20.3 610 611 A G T 3 S+ 0 0 39 -5,-0.5 -1,-0.3 1,-0.4 89,-0.1 0.293 102.5 132.6 99.7 -15.0 29.8 14.3 20.8 611 612 A R < - 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