==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING, DNA BINDING PROTEIN 19-AUG-02 1MH3 . COMPND 2 MOLECULE: MALTOSE BINDING-A1 HOMEODOMAIN PROTEIN CHIMERA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI, SACCHAROMYCES . AUTHOR A.KE,C.WOLBERGER . 421 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 296 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 10.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 2 2 0 3 3 1 2 2 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 A K 0 0 182 0, 0.0 54,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-113.9 98.7 29.7 50.5 2 2 A I - 0 0 18 1,-0.1 2,-0.2 268,-0.1 5,-0.0 0.921 360.0-118.5 57.2 98.3 97.3 26.2 50.6 3 3 A E > - 0 0 125 1,-0.1 3,-0.7 267,-0.1 2,-0.3 -0.437 19.7-129.2 -70.2 134.7 99.8 24.0 48.9 4 4 A E T 3 S+ 0 0 145 1,-0.2 3,-0.1 -2,-0.2 268,-0.1 -0.672 88.3 46.2 -83.9 136.4 98.7 22.1 45.7 5 5 A G T 3 S+ 0 0 44 1,-0.4 29,-0.4 -2,-0.3 2,-0.3 0.376 106.3 54.4 114.0 -3.5 99.4 18.4 45.7 6 6 A K S < S- 0 0 36 -3,-0.7 2,-0.4 27,-0.2 -1,-0.4 -0.926 73.6-119.7-149.2 172.2 98.2 17.5 49.2 7 7 A L E -a 35 0A 0 27,-2.6 29,-2.9 -2,-0.3 2,-0.5 -0.979 14.7-166.9-126.7 131.4 95.1 17.8 51.4 8 8 A V E -a 36 0A 32 -2,-0.4 50,-2.1 27,-0.2 51,-2.0 -0.966 14.1-168.2-114.8 127.5 94.8 19.6 54.7 9 9 A I E -ab 37 59A 0 27,-2.8 29,-2.8 -2,-0.5 2,-0.5 -0.931 10.8-157.8-121.0 142.8 91.7 18.9 56.8 10 10 A W E +ab 38 60A 25 49,-2.2 51,-2.9 -2,-0.4 2,-0.3 -0.975 20.1 162.7-118.9 128.4 90.2 20.6 59.8 11 11 A I - 0 0 3 27,-2.2 51,-0.1 -2,-0.5 6,-0.1 -0.989 43.6 -92.2-142.7 147.4 87.8 18.8 62.1 12 12 A N > - 0 0 37 -2,-0.3 3,-1.7 49,-0.3 5,-0.2 -0.246 34.2-119.1 -60.7 148.4 86.7 19.6 65.7 13 13 A G T 3 S+ 0 0 32 27,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.589 108.4 63.5 -65.1 -14.1 88.7 17.9 68.5 14 14 A D T 3 S+ 0 0 43 2,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.459 93.7 81.6 -89.5 0.1 85.7 16.0 69.9 15 15 A K S < S- 0 0 21 -3,-1.7 2,-2.3 1,-0.0 3,-0.3 -0.504 100.2 -89.1 -99.9 170.0 85.4 14.0 66.7 16 16 A G > + 0 0 2 281,-0.4 4,-1.9 1,-0.2 280,-0.2 -0.396 60.0 152.9 -79.1 67.5 87.3 11.0 65.5 17 17 A Y H > S+ 0 0 58 -2,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.789 71.9 55.1 -67.5 -27.8 90.1 12.8 63.8 18 18 A N H > S+ 0 0 94 -3,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.852 108.9 49.0 -72.3 -32.8 92.5 9.9 64.3 19 19 A G H > S+ 0 0 5 274,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.871 109.6 51.8 -71.1 -35.9 90.0 7.7 62.6 20 20 A L H X S+ 0 0 2 -4,-1.9 4,-1.9 1,-0.2 3,-0.3 0.883 104.5 56.5 -66.6 -38.3 89.8 10.3 59.8 21 21 A A H X S+ 0 0 40 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.799 101.2 58.3 -63.3 -29.5 93.6 10.3 59.4 22 22 A E H X S+ 0 0 129 -4,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.870 105.0 49.1 -67.7 -37.1 93.4 6.5 58.8 23 23 A V H X S+ 0 0 9 -4,-1.1 4,-2.2 -3,-0.3 -2,-0.2 0.899 109.7 53.9 -67.7 -36.6 91.1 7.1 55.9 24 24 A G H X S+ 0 0 1 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.887 104.5 53.0 -62.8 -40.5 93.7 9.7 54.8 25 25 A K H X S+ 0 0 47 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.934 108.8 50.2 -60.4 -46.2 96.5 7.0 55.0 26 26 A K H X S+ 0 0 110 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.912 110.3 50.4 -57.2 -44.6 94.4 4.8 52.7 27 27 A F H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.5 0.942 112.2 46.6 -59.1 -48.5 94.0 7.7 50.3 28 28 A E H X S+ 0 0 87 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.868 109.9 54.0 -63.0 -37.8 97.7 8.3 50.3 29 29 A K H < S+ 0 0 81 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.895 117.2 36.8 -64.0 -39.7 98.5 4.6 49.9 30 30 A D H < S+ 0 0 86 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.827 134.3 21.4 -82.1 -34.7 96.3 4.5 46.8 31 31 A T H < S- 0 0 53 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.626 91.7-125.8-110.8 -18.6 97.0 7.9 45.3 32 32 A G < + 0 0 61 -4,-2.3 2,-0.5 -5,-0.5 -4,-0.2 0.405 68.8 126.2 86.4 -4.3 100.3 9.0 46.7 33 33 A I - 0 0 17 -6,-0.4 -1,-0.3 -9,-0.1 -2,-0.2 -0.789 59.1-126.2 -96.4 128.7 98.9 12.3 47.9 34 34 A K - 0 0 99 -2,-0.5 -27,-2.6 -29,-0.4 2,-0.5 -0.428 17.9-160.7 -72.6 140.5 99.3 13.1 51.6 35 35 A V E -a 7 0A 16 -29,-0.2 2,-0.5 -2,-0.1 -27,-0.2 -0.984 4.6-168.2-123.9 117.8 96.4 14.0 53.8 36 36 A T E -a 8 0A 39 -29,-2.9 -27,-2.8 -2,-0.5 2,-0.4 -0.936 5.7-157.8-110.7 129.0 97.0 15.8 57.1 37 37 A V E +a 9 0A 32 -2,-0.5 2,-0.3 -29,-0.2 -27,-0.2 -0.892 13.4 179.0-106.8 132.7 94.2 16.1 59.6 38 38 A E E -a 10 0A 89 -29,-2.8 -27,-2.2 -2,-0.4 -2,-0.0 -0.949 22.2-156.3-132.1 152.3 94.2 18.9 62.2 39 39 A H - 0 0 77 -2,-0.3 -26,-0.1 -29,-0.2 -27,-0.1 -0.606 21.9-174.2-129.0 72.2 91.8 19.8 65.0 40 40 A P > - 0 0 27 0, 0.0 3,-0.9 0, 0.0 -27,-0.3 -0.237 31.7-105.9 -63.0 151.8 92.4 23.5 65.8 41 41 A D T 3 S+ 0 0 126 1,-0.3 5,-0.1 2,-0.1 4,-0.1 -0.570 103.9 8.7 -78.5 146.8 90.5 25.1 68.7 42 42 A K T >> S+ 0 0 133 -2,-0.2 4,-2.1 1,-0.1 3,-1.6 0.870 80.6 164.7 50.9 41.2 87.7 27.4 67.7 43 43 A L H <> + 0 0 0 -3,-0.9 4,-2.1 1,-0.3 -1,-0.1 0.760 66.2 62.3 -61.3 -25.0 88.1 26.1 64.1 44 44 A E H 34 S+ 0 0 30 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.695 110.7 39.0 -75.0 -17.6 84.7 27.5 63.1 45 45 A E H <> S+ 0 0 96 -3,-1.6 4,-1.0 2,-0.1 -2,-0.2 0.769 115.1 52.6 -96.9 -34.9 85.9 31.0 63.9 46 46 A K H X S+ 0 0 83 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.864 97.8 66.7 -68.2 -38.7 89.4 30.6 62.5 47 47 A F H X S+ 0 0 0 -4,-2.1 4,-3.3 1,-0.2 5,-0.3 0.925 102.5 43.8 -51.3 -53.8 88.2 29.3 59.1 48 48 A P H > S+ 0 0 15 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.887 112.1 56.7 -60.3 -36.9 86.6 32.6 58.0 49 49 A Q H < S+ 0 0 104 -4,-1.0 4,-0.2 2,-0.2 -2,-0.2 0.901 118.3 29.7 -61.3 -43.4 89.7 34.4 59.3 50 50 A V H ><>S+ 0 0 40 -4,-2.3 5,-2.2 1,-0.2 3,-1.3 0.873 118.0 53.7 -86.6 -39.7 92.1 32.5 57.2 51 51 A A H ><5S+ 0 0 5 -4,-3.3 3,-1.6 -5,-0.3 -2,-0.2 0.718 93.8 74.3 -67.2 -20.7 90.0 31.6 54.2 52 52 A A T 3<5S+ 0 0 10 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.797 104.1 38.5 -62.2 -27.3 89.2 35.4 53.9 53 53 A T T < 5S- 0 0 73 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.168 128.4 -95.4-108.6 16.5 92.7 35.8 52.5 54 54 A G T < 5S+ 0 0 24 -3,-1.6 -3,-0.2 1,-0.3 2,-0.1 0.609 91.2 108.1 82.7 12.6 92.8 32.6 50.5 55 55 A D < + 0 0 34 -5,-2.2 -1,-0.3 -8,-0.1 214,-0.2 -0.361 35.0 74.6-108.1-170.2 94.5 30.4 53.1 56 56 A G S S- 0 0 12 -2,-0.1 -48,-0.1 -3,-0.1 2,-0.1 -0.564 81.9 -24.1 104.7-167.9 93.3 27.6 55.4 57 57 A P - 0 0 0 0, 0.0 -48,-0.2 0, 0.0 210,-0.2 -0.322 45.8-130.3 -78.6 164.3 92.5 23.9 55.0 58 58 A D S S+ 0 0 1 -50,-2.1 209,-2.2 1,-0.3 2,-0.4 0.824 98.7 30.4 -78.9 -33.8 91.4 22.3 51.8 59 59 A I E -bC 9 266A 0 -51,-2.0 -49,-2.2 207,-0.2 2,-0.5 -0.990 69.7-164.4-131.1 131.8 88.5 20.7 53.6 60 60 A I E -bC 10 265A 0 205,-2.7 205,-3.1 -2,-0.4 2,-0.5 -0.965 6.6-155.6-119.4 128.5 86.6 22.0 56.7 61 61 A F E + C 0 264A 5 -51,-2.9 -49,-0.3 -2,-0.5 2,-0.3 -0.873 35.9 120.7-103.5 128.8 84.4 19.8 58.9 62 62 A W E - C 0 263A 48 201,-2.1 201,-2.7 -2,-0.5 5,-0.1 -0.958 66.3 -69.7-171.7 164.7 81.6 21.3 60.9 63 63 A A E > - C 0 262A 11 -2,-0.3 3,-1.5 199,-0.3 4,-0.4 -0.369 53.2-111.0 -62.9 147.6 77.8 21.2 61.4 64 64 A H G >> S+ 0 0 1 197,-1.5 4,-0.7 1,-0.3 3,-0.6 0.610 104.1 82.6 -56.0 -18.7 76.0 22.7 58.5 65 65 A D G 34 S+ 0 0 10 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.781 93.1 46.3 -62.6 -26.6 74.7 25.7 60.4 66 66 A R G <> S+ 0 0 54 -3,-1.5 4,-1.4 1,-0.2 3,-0.4 0.699 98.5 74.1 -86.3 -20.0 78.0 27.6 59.9 67 67 A F H <> S+ 0 0 0 -3,-0.6 4,-2.7 -4,-0.4 5,-0.2 0.741 83.7 61.0 -68.9 -27.9 78.2 26.8 56.2 68 68 A G H X S+ 0 0 0 -4,-0.7 4,-2.3 264,-0.7 -1,-0.2 0.888 107.0 49.3 -66.1 -35.5 75.6 29.2 54.9 69 69 A G H > S+ 0 0 15 -3,-0.4 4,-1.5 263,-0.4 -2,-0.2 0.921 111.8 47.7 -67.1 -43.8 77.7 32.0 56.3 70 70 A Y H <>S+ 0 0 10 -4,-1.4 5,-2.8 1,-0.2 6,-0.4 0.914 113.8 47.2 -62.3 -44.8 80.8 30.7 54.7 71 71 A A H ><5S+ 0 0 17 -4,-2.7 3,-1.8 3,-0.2 -2,-0.2 0.899 107.8 54.6 -64.4 -44.0 79.1 30.2 51.3 72 72 A Q H 3<5S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.857 109.9 49.2 -58.4 -35.1 77.5 33.6 51.4 73 73 A S T 3<5S- 0 0 18 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.442 119.2-115.0 -84.6 0.3 81.0 35.0 51.9 74 74 A G T < 5S+ 0 0 43 -3,-1.8 -3,-0.2 -4,-0.1 -2,-0.1 0.809 79.1 126.0 71.9 31.8 82.3 32.9 49.0 75 75 A L < + 0 0 3 -5,-2.8 193,-2.6 -6,-0.1 2,-0.4 0.520 57.4 68.5 -97.6 -7.4 84.5 30.7 51.1 76 76 A L B S-F 267 0B 14 -6,-0.4 2,-0.2 191,-0.3 191,-0.2 -0.947 75.3-132.2-120.1 135.0 83.1 27.4 49.9 77 77 A A - 0 0 14 189,-3.0 189,-0.4 -2,-0.4 2,-0.1 -0.563 32.0-109.0 -80.4 143.3 83.4 25.7 46.5 78 78 A E - 0 0 113 -2,-0.2 2,-0.4 187,-0.1 26,-0.2 -0.443 31.3-143.7 -69.6 143.1 80.2 24.4 45.0 79 79 A I - 0 0 8 24,-2.5 24,-0.4 -2,-0.1 26,-0.1 -0.889 13.9-170.2-111.2 145.9 80.0 20.6 44.9 80 80 A T + 0 0 115 -2,-0.4 2,-0.0 22,-0.1 -2,-0.0 -0.515 9.2 176.4-136.1 69.6 78.4 18.7 42.1 81 81 A P - 0 0 7 0, 0.0 -2,-0.0 0, 0.0 2,-0.0 -0.374 37.7-104.7 -71.0 152.9 78.0 15.0 42.7 82 82 A D >> - 0 0 119 1,-0.1 4,-2.3 -2,-0.0 3,-0.6 -0.301 33.1-106.4 -70.5 162.7 76.2 12.9 40.1 83 83 A K H 3> S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.883 120.6 63.5 -57.7 -37.4 72.7 11.8 40.9 84 84 A A H 34 S+ 0 0 71 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.886 108.1 39.6 -54.2 -44.4 74.0 8.3 41.5 85 85 A F H X4 S+ 0 0 13 -3,-0.6 3,-2.0 1,-0.2 4,-0.3 0.912 111.4 55.9 -74.5 -43.3 76.1 9.5 44.4 86 86 A Q H >< S+ 0 0 61 -4,-2.3 3,-1.8 1,-0.3 -2,-0.2 0.867 98.6 64.1 -55.9 -36.5 73.5 11.9 45.8 87 87 A D T 3< S+ 0 0 106 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.672 90.2 68.6 -61.1 -17.8 71.1 8.9 46.0 88 88 A K T < S+ 0 0 114 -3,-2.0 217,-2.1 -4,-0.2 218,-0.4 0.642 98.1 54.9 -78.8 -13.0 73.4 7.4 48.5 89 89 A L B < S-G 304 0C 2 -3,-1.8 215,-0.2 -4,-0.3 214,-0.1 -0.889 99.5 -89.1-121.0 152.8 72.6 10.0 51.2 90 90 A Y >> - 0 0 49 213,-1.6 3,-1.5 -2,-0.3 4,-1.3 -0.291 33.4-126.0 -59.7 136.5 69.3 11.0 52.7 91 91 A P H 3> S+ 0 0 87 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.842 108.0 59.2 -52.1 -37.1 67.6 13.9 50.8 92 92 A F H 3> S+ 0 0 81 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.775 100.2 55.5 -67.9 -23.9 67.3 15.9 53.9 93 93 A T H <> S+ 0 0 0 -3,-1.5 4,-0.9 2,-0.2 -1,-0.2 0.891 107.8 47.9 -76.1 -36.6 71.0 16.0 54.5 94 94 A W H >< S+ 0 0 7 -4,-1.3 3,-0.9 1,-0.2 -2,-0.2 0.912 108.8 56.0 -65.9 -39.8 71.7 17.4 51.0 95 95 A D H >< S+ 0 0 89 -4,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.904 101.9 57.0 -56.9 -41.5 68.9 20.0 51.8 96 96 A A H 3< S+ 0 0 5 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.755 110.6 43.0 -62.3 -27.0 70.9 21.0 54.9 97 97 A V T << S+ 0 0 0 -3,-0.9 7,-3.1 -4,-0.9 2,-0.5 0.083 89.1 106.2-108.8 24.6 74.0 21.8 52.8 98 98 A R E < -H 103 0D 91 -3,-1.6 2,-0.4 5,-0.3 5,-0.3 -0.904 45.0-179.9-104.0 125.3 72.2 23.6 50.0 99 99 A Y E > -H 102 0D 28 3,-3.4 3,-1.8 -2,-0.5 -3,-0.0 -0.980 68.0 -16.9-131.4 122.3 72.6 27.4 50.1 100 100 A N T 3 S- 0 0 123 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.912 131.0 -48.6 51.3 46.4 71.0 29.7 47.5 101 101 A G T 3 S+ 0 0 66 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.352 119.7 103.8 80.2 -5.2 70.4 26.7 45.2 102 102 A K E < S-H 99 0D 110 -3,-1.8 -3,-3.4 -24,-0.0 2,-0.5 -0.907 70.0-128.8-115.6 139.1 73.9 25.3 45.4 103 103 A L E +H 98 0D 12 -24,-0.4 -24,-2.5 -2,-0.4 -5,-0.3 -0.704 28.3 179.7 -77.9 127.2 75.2 22.3 47.4 104 104 A I + 0 0 7 -7,-3.1 162,-0.4 -2,-0.5 2,-0.3 0.225 55.7 15.4-118.2 17.4 78.2 23.6 49.3 105 105 A A S S- 0 0 0 -8,-0.4 160,-0.2 160,-0.2 -1,-0.1 -0.968 74.2-101.4-175.4 163.1 79.3 20.6 51.3 106 106 A Y E -D 264 0A 2 158,-2.4 158,-2.5 -2,-0.3 2,-0.1 -0.884 38.9-127.4 -99.7 121.4 79.1 16.8 51.6 107 107 A P E +D 263 0A 0 0, 0.0 156,-0.2 0, 0.0 3,-0.1 -0.401 35.9 165.0 -65.3 142.6 76.8 15.6 54.5 108 108 A I E + 0 0 3 154,-2.5 195,-2.4 1,-0.4 196,-0.6 0.665 54.7 6.7-123.9 -61.4 78.5 13.2 56.9 109 109 A A E -DE 262 302A 0 153,-1.5 153,-1.7 193,-0.3 2,-0.7 -0.934 55.0-133.8-132.7 155.1 76.6 12.7 60.1 110 110 A V E -DE 261 301A 2 191,-2.0 191,-0.7 -2,-0.3 2,-0.4 -0.922 31.9-161.8-109.4 105.2 73.2 13.7 61.6 111 111 A E E +D 260 0A 12 149,-3.5 149,-1.9 -2,-0.7 2,-0.3 -0.772 19.7 160.0 -99.1 131.5 73.9 14.9 65.1 112 112 A A - 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0 0 1 -3,-2.0 3,-0.4 -212,-0.2 -268,-0.1 -0.447 49.3-161.3 -69.9 136.1 91.8 25.3 47.4 271 271 A P S S+ 0 0 57 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.294 88.0 66.3 -94.2 6.9 93.8 24.3 44.4 272 272 A N > + 0 0 5 1,-0.1 4,-2.1 -268,-0.1 5,-0.2 -0.206 58.0 130.6-120.1 40.6 93.0 20.7 45.3 273 273 A K H > S+ 0 0 80 -3,-0.4 4,-2.3 1,-0.2 5,-0.1 0.894 74.0 47.7 -64.3 -43.1 89.3 20.6 44.7 274 274 A E H > S+ 0 0 143 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.898 113.3 49.0 -65.1 -39.2 89.2 17.5 42.5 275 275 A L H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.875 110.4 51.3 -66.1 -37.9 91.4 15.6 45.0 276 276 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.915 110.2 49.7 -64.3 -42.2 89.1 16.8 47.8 277 277 A K H X S+ 0 0 64 -4,-2.3 4,-3.0 2,-0.2 5,-0.4 0.918 110.7 49.1 -62.0 -46.5 86.1 15.5 45.9 278 278 A E H X>S+ 0 0 60 -4,-2.4 4,-2.6 2,-0.2 5,-0.5 0.937 112.7 47.8 -60.1 -48.1 87.8 12.1 45.3 279 279 A F H X>S+ 0 0 0 -4,-2.5 5,-2.5 3,-0.2 4,-1.7 0.949 117.4 40.9 -58.0 -53.1 88.7 11.7 48.9 280 280 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 3,-0.2 -2,-0.2 0.922 124.1 35.7 -64.5 -47.0 85.2 12.6 50.2 281 281 A E H <5S+ 0 0 18 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.916 128.9 30.0 -75.8 -44.5 83.2 10.7 47.7 282 282 A N H <5S+ 0 0 92 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.2 0.607 132.6 22.2 -94.5 -13.6 85.3 7.6 47.1 283 283 A Y T < S- 0 0 25 -2,-2.7 4,-2.6 -3,-0.4 5,-0.3 -0.878 91.1-106.5-134.6 163.7 81.8 4.7 52.2 287 287 A D H > S+ 0 0 51 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.943 123.3 48.3 -59.0 -44.6 80.9 2.1 54.8 288 288 A E H > S+ 0 0 128 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.911 112.0 48.7 -61.5 -44.8 84.6 1.5 55.3 289 289 A G H > S+ 0 0 5 -6,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.943 115.1 41.9 -62.3 -49.9 85.5 5.2 55.5 290 290 A L H X S+ 0 0 0 -4,-2.6 4,-3.3 -6,-0.5 -1,-0.2 0.870 111.2 56.7 -66.9 -36.6 82.8 6.1 58.1 291 291 A E H X S+ 0 0 81 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.876 104.3 54.2 -61.4 -37.2 83.4 3.0 60.1 292 292 A A H X S+ 0 0 24 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.913 113.4 41.0 -63.7 -43.2 87.1 4.1 60.5 293 293 A V H >X S+ 0 0 7 -4,-1.5 4,-2.2 1,-0.2 3,-0.7 0.945 114.3 53.0 -68.0 -47.6 86.0 7.5 61.8 294 294 A N H 3< S+ 0 0 34 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.828 101.6 60.0 -55.2 -39.1 83.2 5.9 64.0 295 295 A K H 3< S+ 0 0 169 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.870 109.1 43.4 -58.9 -40.8 85.7 3.5 65.5 296 296 A D H << S- 0 0 40 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.979 140.7 -8.3 -70.0 -58.0 87.7 6.4 66.9 297 297 A K S < S- 0 0 38 -4,-2.2 -281,-0.4 -281,-0.1 -1,-0.3 -0.975 86.8-103.7-143.0 124.9 84.8 8.5 68.1 298 298 A P - 0 0 14 0, 0.0 -66,-0.1 0, 0.0 3,-0.1 -0.216 19.6-158.3 -52.5 129.5 81.1 7.5 67.3 299 299 A L - 0 0 9 1,-0.3 2,-0.3 -9,-0.2 -69,-0.2 0.679 29.1-146.7 -80.1 -19.1 79.6 9.7 64.6 300 300 A G + 0 0 0 -71,-0.2 -1,-0.3 -72,-0.1 2,-0.1 -0.701 62.9 0.5 85.4-142.2 76.1 8.8 65.8 301 301 A A E S-E 110 0A 0 -191,-0.7 -191,-2.0 -2,-0.3 2,-0.3 -0.511 82.9-150.5 -76.2 151.2 73.5 8.6 63.1 302 302 A V E -E 109 0A 1 -193,-0.3 -193,-0.3 2,-0.2 -194,-0.1 -0.772 24.4-126.3-124.9 169.4 74.9 9.2 59.6 303 303 A A S S+ 0 0 0 -195,-2.4 -213,-1.6 -2,-0.3 2,-0.7 0.752 84.2 93.1 -81.9 -28.0 73.9 10.6 56.2 304 304 A L B >> -G 89 0C 5 -196,-0.6 4,-2.8 -215,-0.2 3,-0.8 -0.589 68.1-150.6 -74.2 108.9 75.1 7.6 54.2 305 305 A K H 3> S+ 0 0 73 -217,-2.1 4,-2.3 -2,-0.7 5,-0.2 0.864 90.8 55.1 -44.8 -51.7 72.0 5.3 53.8 306 306 A S H 34 S+ 0 0 62 -218,-0.4 4,-0.3 1,-0.2 -1,-0.2 0.845 116.3 36.3 -56.0 -38.5 74.0 2.0 53.7 307 307 A Y H X> S+ 0 0 15 -3,-0.8 4,-2.5 2,-0.2 3,-1.0 0.865 112.5 58.0 -83.9 -38.1 75.8 2.7 57.0 308 308 A E H 3X S+ 0 0 17 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.883 102.7 55.2 -58.5 -39.3 72.9 4.3 58.7 309 309 A E H 3< S+ 0 0 129 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.690 110.1 45.5 -71.1 -17.0 70.7 1.2 58.2 310 310 A E H X4 S+ 0 0 103 -3,-1.0 3,-1.6 -4,-0.3 4,-0.2 0.859 112.4 50.3 -87.7 -43.4 73.3 -1.0 59.9 311 311 A L H >< S+ 0 0 20 -4,-2.5 3,-2.6 1,-0.3 6,-0.3 0.807 93.8 77.0 -62.3 -28.6 73.8 1.5 62.8 312 312 A A T 3< S+ 0 0 54 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.1 0.650 79.8 69.7 -57.1 -17.8 70.0 1.6 63.2 313 313 A K T < S+ 0 0 152 -3,-1.6 -1,-0.3 4,-0.1 -2,-0.2 0.705 83.0 87.8 -73.4 -19.5 70.3 -1.8 65.0 314 314 A D S X> S- 0 0 40 -3,-2.6 4,-1.6 -4,-0.2 3,-1.2 -0.712 73.9-147.2 -84.3 120.8 72.0 0.0 67.9 315 315 A P H 3> S+ 0 0 99 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.771 99.0 60.1 -57.7 -27.8 69.4 1.4 70.4 316 316 A R H 3> S+ 0 0 63 1,-0.2 4,-1.7 2,-0.2 -4,-0.1 0.830 106.1 48.4 -69.1 -30.6 71.7 4.4 71.1 317 317 A I H <> S+ 0 0 4 -3,-1.2 4,-2.3 -6,-0.3 -1,-0.2 0.842 109.0 51.9 -76.4 -36.2 71.4 5.3 67.4 318 318 A A H X S+ 0 0 34 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.897 109.9 50.5 -66.6 -38.0 67.6 4.9 67.5 319 319 A A H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.920 108.0 52.9 -64.3 -43.3 67.6 7.3 70.6 320 320 A T H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.938 112.1 44.1 -58.1 -47.3 69.7 9.8 68.6 321 321 A M H X S+ 0 0 57 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.787 109.4 57.3 -70.0 -27.5 67.2 9.8 65.7 322 322 A E H X S+ 0 0 75 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.916 110.8 42.9 -67.6 -43.9 64.2 10.0 68.1 323 323 A N H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.911 112.0 54.2 -67.5 -40.8 65.6 13.1 69.6 324 324 A A H < S+ 0 0 13 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.910 107.0 52.8 -57.7 -41.8 66.5 14.4 66.1 325 325 A Q H < S+ 0 0 159 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.835 108.8 48.5 -62.5 -37.0 62.9 13.9 65.1 326 326 A K H < S+ 0 0 80 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.798 116.8 44.2 -75.7 -30.3 61.6 15.9 68.1 327 327 A G S < S- 0 0 14 -4,-2.0 2,-0.3 -5,-0.1 -69,-0.2 0.149 91.3-110.2 -91.1-148.1 64.0 18.8 67.4 328 328 A E E -o 258 0I 94 -71,-1.4 -69,-3.0 -72,-0.1 2,-0.2 -0.995 22.6-100.1-153.4 147.0 64.7 20.3 64.0 329 329 A I E -o 259 0I 62 -2,-0.3 -69,-0.2 -71,-0.2 -71,-0.1 -0.470 54.0-115.1 -63.1 126.5 67.5 20.6 61.5 330 330 A M - 0 0 6 -71,-2.3 -1,-0.1 -2,-0.2 -69,-0.1 -0.209 26.5-101.1 -68.2 155.6 69.0 24.0 62.1 331 331 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 -263,-0.1 -0.393 20.5-150.7 -67.5 154.8 68.9 26.8 59.5 332 332 A N + 0 0 22 -234,-0.1 -264,-0.7 -265,-0.1 -263,-0.4 0.409 50.7 132.0-107.1 1.1 72.2 27.2 57.6 333 333 A I S > S- 0 0 23 -265,-0.2 3,-2.0 1,-0.1 -264,-0.3 -0.060 71.2-110.1 -53.5 151.4 71.7 31.0 57.0 334 334 A P T > S+ 0 0 20 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.815 112.8 66.2 -50.2 -38.7 74.5 33.4 57.8 335 335 A Q T 3> S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.571 74.4 89.6 -66.0 -10.3 72.7 34.9 60.8 336 336 A M H <> S+ 0 0 0 -3,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.858 82.2 57.4 -57.1 -35.9 72.9 31.6 62.7 337 337 A S H <> S+ 0 0 47 -3,-1.2 4,-2.4 -4,-0.2 -1,-0.2 0.926 107.7 46.1 -61.8 -44.3 76.3 32.7 64.2 338 338 A A H > S+ 0 0 7 -4,-0.4 4,-2.7 -3,-0.3 -1,-0.2 0.915 111.5 54.3 -63.8 -41.2 74.7 35.8 65.7 339 339 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 29,-0.2 5,-0.3 0.962 110.3 44.7 -55.1 -55.8 71.9 33.7 66.9 340 340 A W H X S+ 0 0 19 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.886 113.4 50.4 -57.8 -42.6 74.2 31.3 68.8 341 341 A Y H X S+ 0 0 97 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.907 109.8 51.9 -63.0 -41.5 76.3 34.2 70.2 342 342 A A H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.930 113.0 42.3 -60.9 -48.4 73.1 35.9 71.4 343 343 A V H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.879 111.2 56.8 -67.9 -36.7 71.8 32.8 73.3 344 344 A R H X S+ 0 0 94 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.947 111.1 42.9 -57.7 -49.8 75.2 32.0 74.6 345 345 A T H X S+ 0 0 40 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.918 113.5 51.8 -62.7 -46.2 75.4 35.4 76.3 346 346 A A H X S+ 0 0 1 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.933 110.7 47.0 -58.4 -50.0 71.9 35.4 77.5 347 347 A V H X S+ 0 0 4 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.931 114.6 47.0 -59.6 -46.2 72.3 32.0 79.2 348 348 A I H X S+ 0 0 50 -4,-2.1 4,-1.6 -5,-0.3 6,-0.2 0.913 116.6 43.3 -62.9 -43.3 75.6 33.0 80.8 349 349 A N H X>S+ 0 0 42 -4,-2.9 6,-1.6 2,-0.2 5,-1.6 0.891 115.5 47.8 -70.5 -39.6 74.2 36.3 82.1 350 350 A A H <5S+ 0 0 7 -4,-3.1 -2,-0.2 -5,-0.3 -1,-0.2 0.906 114.2 47.4 -67.6 -39.8 70.9 34.9 83.2 351 351 A A H <5S+ 0 0 20 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.793 114.9 45.6 -71.4 -29.1 72.7 32.0 85.1 352 352 A S H <5S- 0 0 79 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.655 111.3-116.3 -89.0 -17.4 75.2 34.4 86.7 353 353 A G T <5S+ 0 0 63 -4,-1.4 -3,-0.2 2,-0.3 -4,-0.1 0.577 82.1 120.5 93.1 9.8 72.7 37.0 87.8 354 354 A R S - 0 0 94 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.349 42.8-103.3 -73.5 166.0 67.2 38.8 84.8 357 357 A V H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.938 124.2 48.2 -58.1 -45.7 65.8 36.1 82.4 358 358 A D H > S+ 0 0 92 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.895 113.1 46.5 -62.7 -41.2 63.6 38.7 80.7 359 359 A A H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.938 112.7 50.6 -66.5 -45.4 66.5 41.2 80.4 360 360 A A H X S+ 0 0 1 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.907 114.4 42.4 -58.5 -46.0 68.9 38.6 79.1 361 361 A L H X S+ 0 0 3 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.769 109.3 57.9 -75.4 -26.2 66.4 37.3 76.4 362 362 A A H X S+ 0 0 41 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.939 111.2 43.1 -66.9 -44.7 65.4 40.8 75.4 363 363 A A H X S+ 0 0 43 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.872 111.0 56.4 -66.8 -35.8 69.0 41.6 74.6 364 364 A A H X S+ 0 0 4 -4,-1.8 4,-2.8 -5,-0.2 5,-0.2 0.908 105.6 50.8 -62.7 -41.6 69.4 38.2 72.9 365 365 A Q H X S+ 0 0 75 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.936 112.8 45.3 -61.7 -47.4 66.5 39.0 70.6 366 366 A T H X S+ 0 0 105 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.924 115.0 48.2 -62.3 -44.1 68.0 42.4 69.6 367 472 A A H < S+ 0 0 16 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.883 113.1 46.1 -65.0 -41.6 71.4 40.8 69.2 368 473 A A H < S+ 0 0 1 -4,-2.8 -29,-0.2 1,-0.2 -1,-0.2 0.810 116.8 45.1 -72.6 -29.3 70.2 37.9 67.0 369 474 A A H < S+ 0 0 19 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.603 84.9 118.7 -90.2 -12.1 68.1 40.2 64.8 370 475 A A < - 0 0 33 -4,-1.2 3,-0.2 -3,-0.2 -32,-0.1 -0.266 65.2-137.0 -59.3 136.8 70.7 43.0 64.3 371 476 A A S S+ 0 0 65 1,-0.3 2,-0.5 2,-0.0 -1,-0.1 0.820 103.8 34.6 -62.8 -32.1 71.7 43.6 60.7 372 477 A I S S- 0 0 22 32,-0.1 -1,-0.3 36,-0.0 -2,-0.1 -0.975 95.7-136.1-125.0 112.9 75.3 43.9 62.1 373 478 A S > - 0 0 18 -2,-0.5 4,-3.3 -3,-0.2 5,-0.2 -0.193 21.8-110.9 -65.9 159.3 75.9 41.5 65.0 374 479 A P H > S+ 0 0 48 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.874 120.9 52.2 -58.7 -36.7 77.7 42.6 68.1 375 480 A Q H > S+ 0 0 59 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.940 112.4 44.0 -64.6 -48.1 80.6 40.3 67.1 376 481 A A H > S+ 0 0 6 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.937 113.3 51.3 -61.4 -47.7 80.8 41.8 63.7 377 482 A R H X S+ 0 0 107 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.899 108.3 52.5 -57.3 -42.8 80.5 45.4 65.1 378 483 A A H X S+ 0 0 60 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.913 110.1 47.9 -60.6 -43.2 83.3 44.7 67.5 379 484 A F H X S+ 0 0 70 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.923 109.7 53.0 -64.5 -43.3 85.5 43.5 64.7 380 485 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.910 109.4 48.8 -58.1 -43.3 84.6 46.6 62.6 381 486 A E H X S+ 0 0 71 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.885 107.7 54.5 -65.0 -39.2 85.6 48.9 65.5 382 487 A Q H X S+ 0 0 63 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.923 113.3 42.6 -59.7 -44.9 88.9 47.1 66.0 383 488 A V H >X S+ 0 0 30 -4,-2.2 4,-2.6 1,-0.2 3,-1.4 0.938 112.4 52.9 -66.9 -46.6 89.7 47.7 62.3 384 489 A F H 3< S+ 0 0 21 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.859 102.2 59.7 -57.4 -38.0 88.5 51.3 62.4 385 490 A R H 3< S+ 0 0 89 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.758 115.5 35.2 -62.6 -24.8 90.7 52.0 65.4 386 491 A R H << S+ 0 0 92 -3,-1.4 2,-0.3 -4,-0.6 -2,-0.2 0.735 136.4 10.8 -99.8 -29.5 93.7 51.1 63.2 387 492 A K < - 0 0 92 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.1 -0.846 53.3-165.8-155.6 113.3 92.5 52.4 59.9 388 493 A Q S S+ 0 0 114 -2,-0.3 2,-0.4 -3,-0.2 -4,-0.1 0.519 80.5 48.9 -77.7 -6.3 89.5 54.7 59.3 389 494 A S - 0 0 54 -5,-0.1 2,-0.3 28,-0.0 -1,-0.0 -0.995 65.5-170.3-135.4 142.0 89.5 54.0 55.5 390 495 A L - 0 0 20 -2,-0.4 2,-0.1 20,-0.1 23,-0.0 -0.977 16.8-133.5-132.5 145.1 89.7 50.8 53.6 391 496 A N > - 0 0 83 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.348 43.3 -89.9 -86.3 175.2 90.2 50.1 49.9 392 497 A S H > S+ 0 0 97 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.911 125.7 49.8 -53.1 -49.5 88.0 47.5 48.0 393 498 A K H > S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.929 112.9 46.5 -56.5 -48.2 90.3 44.6 48.7 394 499 A E H > S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.890 111.4 52.3 -63.0 -39.5 90.5 45.3 52.4 395 500 A K H X S+ 0 0 37 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.928 109.6 49.0 -62.5 -44.1 86.7 45.8 52.5 396 501 A E H X S+ 0 0 35 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.925 112.0 50.0 -60.6 -44.0 86.1 42.5 50.9 397 502 A E H X S+ 0 0 73 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.934 109.8 48.7 -59.1 -51.2 88.5 40.8 53.4 398 503 A V H X S+ 0 0 12 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.875 109.9 53.3 -57.8 -40.6 86.8 42.4 56.4 399 504 A A H X>S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 5,-1.9 0.919 109.8 47.3 -61.8 -46.0 83.4 41.3 55.2 400 505 A K H <5S+ 0 0 63 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.916 115.9 43.3 -62.8 -45.9 84.6 37.6 54.8 401 506 A K H <5S+ 0 0 80 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.843 118.5 49.4 -66.7 -31.7 86.2 37.6 58.2 402 507 A C H <5S- 0 0 21 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.769 99.9-129.8 -77.4 -34.6 83.1 39.4 59.5 403 508 A G T <5S+ 0 0 45 -4,-2.5 2,-0.3 1,-0.4 -3,-0.2 0.780 72.7 113.6 82.1 28.0 80.3 37.2 58.0 404 509 A I S - 0 0 53 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.333 29.5-127.0 -68.3 144.6 78.1 42.0 53.3 406 511 A P H > S+ 0 0 73 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.854 114.2 50.4 -59.9 -35.0 80.9 44.0 51.5 407 512 A L H > S+ 0 0 119 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.845 106.6 54.7 -71.2 -34.1 78.4 46.8 51.1 408 513 A Q H > S+ 0 0 60 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.942 109.8 47.0 -63.5 -44.9 77.6 46.6 54.8 409 514 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.954 113.6 48.9 -59.0 -50.5 81.2 47.0 55.5 410 515 A R H X S+ 0 0 131 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.915 114.1 43.1 -57.4 -48.7 81.5 49.9 53.1 411 516 A V H X S+ 0 0 71 -4,-2.9 4,-3.3 2,-0.2 5,-0.3 0.849 108.8 58.7 -69.7 -33.9 78.5 51.9 54.4 412 517 A W H X S+ 0 0 34 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.942 108.4 45.9 -59.7 -46.8 79.4 51.2 58.0 413 518 A F H X S+ 0 0 5 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.918 113.6 48.9 -62.7 -42.7 82.7 53.0 57.5 414 519 A I H >X S+ 0 0 70 -4,-1.9 4,-1.4 1,-0.2 3,-0.5 0.953 113.4 46.3 -61.3 -49.6 81.1 55.8 55.6 415 520 A N H 3< S+ 0 0 110 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.869 110.2 55.3 -60.3 -36.1 78.5 56.3 58.4 416 521 A K H 3< S+ 0 0 72 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.800 111.5 42.8 -68.3 -29.5 81.2 56.1 61.0 417 522 A R H << S+ 0 0 97 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.637 85.0 120.8 -91.7 -15.9 83.2 58.9 59.4 418 523 A M < + 0 0 114 -4,-1.4 2,-0.3 -3,-0.2 -3,-0.0 -0.181 38.7 180.0 -52.7 138.3 80.2 61.3 58.7 419 524 A R - 0 0 193 1,-0.1 -2,-0.0 2,-0.0 -1,-0.0 -0.896 24.6-161.6-136.4 164.9 80.4 64.7 60.3 420 525 A S 0 0 114 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.748 360.0 360.0-117.5 -40.1 78.2 67.8 60.4 421 526 A K 0 0 278 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.605 360.0 360.0 81.8 360.0 80.2 70.9 61.6