==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, TRANSPORT PROTEIN 03-MAY-13 3WAI . COMPND 2 MOLECULE: MALTOSE-BINDING PERIPLASMIC PROTEIN, TRANSMEMBRAN . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI, ARCHAEOGLOBUS FULGID . AUTHOR S.MATSUMOTO,A.SHIMADA,D.KOHDA . 711 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32617.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 492 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 41 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 3.0 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 4 3 5 2 2 2 4 0 1 0 0 3 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 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 PARALLEL BRIDGES PER LADDER . 5 5 1 3 5 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 3 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 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 G 0 0 130 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-156.7 36.5 -42.9 63.6 2 0 A M - 0 0 187 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.183 360.0-117.1 -62.9 154.7 38.0 -41.0 60.6 3 1 A K - 0 0 195 1,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.299 29.5-126.3 -79.4 177.7 40.5 -38.2 60.9 4 2 A I - 0 0 119 1,-0.1 -1,-0.0 -2,-0.1 0, 0.0 -0.964 23.6-178.6-135.4 144.3 39.5 -34.7 59.7 5 3 A E S S+ 0 0 169 -2,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.679 84.2 40.3-117.3 -27.1 41.3 -32.3 57.3 6 4 A E S S+ 0 0 121 1,-0.1 -1,-0.0 259,-0.1 -2,-0.0 0.152 88.3 98.9-108.8 16.0 39.2 -29.1 57.0 7 5 A G S S+ 0 0 20 28,-0.1 29,-1.3 2,-0.0 2,-0.3 0.454 77.5 49.9 -83.1 -0.4 38.4 -29.1 60.7 8 6 A K E -a 36 0A 84 -3,-0.3 2,-0.5 27,-0.2 29,-0.2 -0.914 61.4-140.7-140.5 155.8 41.0 -26.6 61.8 9 7 A L E -a 37 0A 0 27,-2.2 29,-2.7 -2,-0.3 2,-0.5 -0.995 20.5-160.0-112.7 125.1 42.6 -23.1 61.2 10 8 A V E -a 38 0A 17 -2,-0.5 51,-2.0 27,-0.2 50,-1.9 -0.935 10.8-167.4-104.2 126.7 46.3 -23.1 61.6 11 9 A I E -ab 39 61A 0 27,-3.1 29,-3.4 -2,-0.5 2,-0.5 -0.961 8.1-158.7-119.6 130.1 47.7 -19.5 62.1 12 10 A W E +ab 40 62A 11 49,-2.5 51,-2.7 -2,-0.4 2,-0.3 -0.932 20.8 159.4-105.7 131.3 51.3 -18.5 61.9 13 11 A I - 0 0 5 27,-2.1 51,-0.1 -2,-0.5 32,-0.1 -0.976 44.7 -92.8-143.1 153.5 52.5 -15.3 63.7 14 12 A N > - 0 0 42 49,-0.3 3,-2.0 -2,-0.3 5,-0.2 -0.349 32.2-119.3 -70.2 151.9 56.0 -14.2 64.8 15 13 A G T 3 S+ 0 0 27 1,-0.3 4,-0.2 27,-0.2 -1,-0.1 0.696 110.8 63.3 -64.1 -20.5 57.1 -15.0 68.3 16 14 A D T 3 S+ 0 0 100 2,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.491 93.6 80.5 -84.8 -1.2 57.6 -11.3 69.1 17 15 A K S < S- 0 0 64 -3,-2.0 2,-2.4 1,-0.0 3,-0.2 -0.543 102.9 -87.1 -97.8 167.7 53.8 -10.7 68.6 18 16 A G > + 0 0 1 273,-0.4 4,-2.3 1,-0.2 5,-0.2 -0.350 60.4 155.7 -76.1 66.9 51.0 -11.4 71.1 19 17 A Y H > + 0 0 56 -2,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.803 69.9 55.2 -66.7 -29.4 50.4 -15.1 70.1 20 18 A N H > S+ 0 0 92 -3,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.909 110.3 46.6 -69.3 -40.7 48.9 -16.0 73.4 21 19 A G H > S+ 0 0 0 266,-0.3 4,-1.5 2,-0.2 266,-0.3 0.904 111.0 51.9 -62.4 -43.5 46.4 -13.3 73.1 22 20 A L H X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.888 106.0 56.0 -61.5 -37.2 45.7 -14.4 69.5 23 21 A A H X S+ 0 0 37 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.853 101.1 56.8 -64.5 -35.5 45.2 -17.9 70.8 24 22 A E H X S+ 0 0 120 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.895 107.2 48.8 -59.2 -41.9 42.5 -16.6 73.2 25 23 A V H X S+ 0 0 9 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.884 110.0 52.9 -62.2 -38.6 40.6 -15.2 70.1 26 24 A G H X S+ 0 0 2 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.902 105.1 54.3 -62.6 -40.0 41.1 -18.6 68.5 27 25 A K H X S+ 0 0 149 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.852 107.8 49.6 -63.3 -35.7 39.6 -20.3 71.6 28 26 A K H X S+ 0 0 72 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.950 110.4 49.7 -68.1 -48.0 36.5 -18.1 71.2 29 27 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 6,-0.4 0.917 112.5 48.5 -53.6 -47.2 36.2 -19.0 67.5 30 28 A E H X S+ 0 0 67 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.896 109.4 52.1 -59.7 -44.5 36.5 -22.6 68.5 31 29 A K H < S+ 0 0 168 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.878 115.8 41.9 -58.6 -37.8 33.9 -22.3 71.2 32 30 A D H < S+ 0 0 76 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.850 132.5 17.1 -80.0 -35.6 31.5 -20.7 68.7 33 31 A T H < S- 0 0 54 -4,-2.4 -3,-0.2 2,-0.2 -2,-0.2 0.560 89.6-122.2-118.4 -15.7 32.1 -23.0 65.7 34 32 A G S < S+ 0 0 55 -4,-2.7 2,-0.6 -5,-0.3 -4,-0.2 0.361 71.6 128.5 78.7 -6.2 33.8 -26.2 66.8 35 33 A I - 0 0 26 -6,-0.4 -1,-0.3 -27,-0.1 -2,-0.2 -0.734 58.5-134.1 -80.2 120.2 36.7 -25.4 64.4 36 34 A K E -a 8 0A 114 -29,-1.3 -27,-2.2 -2,-0.6 2,-0.5 -0.532 14.5-151.1 -80.3 141.3 39.9 -25.6 66.5 37 35 A V E -a 9 0A 21 -29,-0.2 2,-0.5 -2,-0.2 -27,-0.2 -0.952 8.2-166.6-114.9 127.5 42.4 -22.8 66.0 38 36 A T E -a 10 0A 60 -29,-2.7 -27,-3.1 -2,-0.5 2,-0.5 -0.972 4.7-159.1-116.4 120.9 46.1 -23.5 66.5 39 37 A V E -a 11 0A 27 -2,-0.5 2,-0.3 -29,-0.2 -27,-0.2 -0.873 15.9-177.9 -97.8 126.3 48.4 -20.5 66.7 40 38 A E E -a 12 0A 78 -29,-3.4 -27,-2.1 -2,-0.5 -2,-0.0 -0.915 21.5-164.8-122.6 150.7 52.0 -21.3 65.9 41 39 A H - 0 0 82 -2,-0.3 -26,-0.2 -29,-0.2 -29,-0.1 -0.518 19.4-176.7-131.3 69.1 55.2 -19.2 66.0 42 40 A P > - 0 0 28 0, 0.0 3,-1.1 0, 0.0 -27,-0.2 -0.287 35.5-102.8 -64.5 148.2 57.8 -21.1 64.1 43 41 A D T 3 S+ 0 0 121 1,-0.3 5,-0.1 2,-0.1 -29,-0.0 -0.505 106.2 7.9 -67.8 139.7 61.3 -19.6 63.9 44 42 A K T >> S+ 0 0 122 -2,-0.2 4,-2.1 1,-0.1 3,-1.4 0.825 79.5 158.6 59.7 36.0 61.9 -18.0 60.5 45 43 A L H <> + 0 0 0 -3,-1.1 4,-2.7 1,-0.3 -2,-0.1 0.816 67.6 62.0 -61.0 -30.6 58.3 -18.5 59.5 46 44 A E H 34 S+ 0 0 38 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.770 111.0 39.3 -70.4 -23.8 58.6 -15.8 56.9 47 45 A E H <> S+ 0 0 103 -3,-1.4 4,-0.6 2,-0.1 -1,-0.2 0.749 116.8 50.4 -88.9 -33.4 61.2 -17.9 55.1 48 46 A K H X S+ 0 0 86 -4,-2.1 4,-2.5 1,-0.2 3,-0.5 0.825 94.7 72.8 -74.7 -33.5 59.4 -21.2 55.7 49 47 A F H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.913 94.4 49.9 -53.1 -51.5 56.0 -20.2 54.4 50 48 A P H 4 S+ 0 0 58 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.875 115.7 46.1 -58.4 -31.8 56.9 -20.1 50.7 51 49 A Q H < S+ 0 0 159 -4,-0.6 -2,-0.2 -3,-0.5 3,-0.2 0.889 125.7 26.2 -73.8 -41.8 58.4 -23.6 51.1 52 50 A V H >< S+ 0 0 20 -4,-2.5 3,-2.0 1,-0.2 6,-0.5 0.414 84.8 108.9-107.2 0.9 55.6 -25.2 53.1 53 51 A A T 3< S+ 0 0 4 -4,-2.2 -1,-0.2 1,-0.3 210,-0.1 0.838 88.5 38.5 -49.1 -41.2 52.5 -23.2 52.1 54 52 A A T 3 S+ 0 0 89 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.470 104.8 88.2 -90.6 -2.5 51.0 -26.1 50.1 55 53 A T S X S- 0 0 71 -3,-2.0 3,-1.5 1,-0.1 -3,-0.1 -0.258 96.8 -91.9 -92.4 179.0 52.0 -28.9 52.5 56 54 A G T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.1 0.768 126.8 53.8 -58.1 -26.4 50.4 -30.5 55.5 57 55 A D T 3 S+ 0 0 120 -5,-0.1 -1,-0.3 2,-0.1 -4,-0.1 0.561 81.1 120.6 -84.4 -12.0 52.3 -28.0 57.6 58 56 A G < - 0 0 14 -3,-1.5 2,-0.2 -6,-0.5 -48,-0.1 -0.269 61.9-126.7 -60.7 136.6 51.0 -24.9 55.7 59 57 A P - 0 0 0 0, 0.0 -48,-0.2 0, 0.0 202,-0.2 -0.552 1.6-140.9 -80.1 147.2 49.1 -22.3 57.8 60 58 A D S S+ 0 0 14 -50,-1.9 201,-2.8 1,-0.2 2,-0.4 0.855 93.0 28.7 -68.6 -33.8 45.6 -21.2 56.7 61 59 A I E -bC 11 260A 0 -51,-2.0 -49,-2.5 199,-0.2 2,-0.4 -0.984 69.4-164.7-132.4 134.8 46.5 -17.6 57.9 62 60 A I E -bC 12 259A 1 197,-2.4 197,-2.9 -2,-0.4 2,-0.5 -0.988 5.2-157.5-123.6 130.0 49.9 -15.9 58.0 63 61 A F E + C 0 258A 4 -51,-2.7 -49,-0.3 -2,-0.4 2,-0.3 -0.909 34.3 127.9-102.8 125.0 50.6 -12.7 59.9 64 62 A W E - C 0 257A 39 193,-2.4 193,-2.7 -2,-0.5 5,-0.1 -0.977 64.2 -68.2-162.0 164.8 53.6 -10.6 58.9 65 63 A A E > - C 0 256A 33 -2,-0.3 3,-1.7 191,-0.3 4,-0.4 -0.344 51.8-117.2 -51.9 140.7 54.6 -7.1 57.9 66 64 A H G >> S+ 0 0 3 189,-2.1 3,-1.0 1,-0.3 4,-0.7 0.658 104.2 79.8 -57.8 -19.4 53.1 -6.2 54.6 67 65 A D G 34 S+ 0 0 25 1,-0.3 260,-2.1 2,-0.2 -1,-0.3 0.524 92.4 49.0 -78.7 -2.5 56.5 -5.8 52.9 68 66 A R G <> S+ 0 0 51 -3,-1.7 4,-1.6 258,-0.2 -1,-0.3 0.599 95.0 74.9 -95.0 -19.8 56.8 -9.6 52.5 69 67 A F H <> S+ 0 0 0 -3,-1.0 4,-3.2 -4,-0.4 5,-0.2 0.794 83.7 62.9 -72.7 -27.5 53.4 -10.1 51.0 70 68 A G H X S+ 0 0 10 -4,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.943 107.1 45.8 -57.6 -48.7 54.2 -8.7 47.6 71 69 A G H > S+ 0 0 32 -3,-0.2 4,-1.3 -4,-0.2 -2,-0.2 0.903 113.3 49.2 -59.5 -43.8 56.7 -11.5 47.1 72 70 A Y H <>S+ 0 0 6 -4,-1.6 5,-2.5 1,-0.2 3,-0.4 0.919 112.7 46.9 -63.4 -44.5 54.2 -14.1 48.4 73 71 A A H ><5S+ 0 0 30 -4,-3.2 3,-2.0 1,-0.2 -1,-0.2 0.877 106.0 60.0 -63.6 -38.5 51.5 -12.8 46.1 74 72 A Q H 3<5S+ 0 0 119 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.821 106.7 46.8 -59.1 -32.7 54.0 -12.9 43.2 75 73 A S T 3<5S- 0 0 84 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.333 118.8-113.9 -91.3 6.6 54.5 -16.6 43.8 76 74 A G T < 5S+ 0 0 50 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.1 0.801 77.4 129.9 67.7 31.8 50.7 -17.1 44.0 77 75 A L < + 0 0 28 -5,-2.5 185,-2.7 -6,-0.1 2,-0.4 0.588 53.8 69.4 -93.7 -13.3 50.7 -18.1 47.6 78 76 A L B S-F 261 0B 16 -6,-0.3 183,-0.2 183,-0.3 2,-0.2 -0.902 74.6-132.0-112.9 137.8 48.0 -15.7 48.9 79 77 A A - 0 0 11 181,-3.1 181,-0.4 -2,-0.4 2,-0.3 -0.535 32.4-106.7 -77.1 147.0 44.3 -15.8 48.2 80 78 A E - 0 0 110 -2,-0.2 26,-0.2 179,-0.1 2,-0.2 -0.591 38.7-135.1 -68.2 131.8 42.6 -12.6 47.1 81 79 A I - 0 0 9 24,-2.3 24,-0.4 -2,-0.3 26,-0.1 -0.572 10.7-153.8 -89.8 162.0 40.5 -11.4 50.1 82 80 A T + 0 0 94 -2,-0.2 -1,-0.1 22,-0.1 -2,-0.0 -0.179 21.2 167.1-131.5 44.3 37.0 -10.2 49.6 83 81 A P - 0 0 8 0, 0.0 22,-0.1 0, 0.0 -2,-0.0 -0.348 33.5-125.0 -68.7 141.3 35.9 -7.8 52.3 84 82 A D > - 0 0 90 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.182 29.5 -98.6 -73.8 173.5 32.7 -5.9 51.6 85 83 A K H > S+ 0 0 145 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.910 122.5 56.7 -62.6 -41.8 32.5 -2.1 51.6 86 84 A A H 4 S+ 0 0 58 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.910 111.0 44.1 -55.0 -45.0 31.0 -2.0 55.1 87 85 A F H >4 S+ 0 0 4 1,-0.2 3,-1.6 2,-0.2 4,-0.4 0.902 110.2 53.4 -69.7 -39.5 34.0 -4.0 56.4 88 86 A Q H >< S+ 0 0 57 -4,-2.4 3,-1.7 1,-0.3 -2,-0.2 0.900 102.5 60.2 -61.7 -35.7 36.6 -1.9 54.5 89 87 A D T 3< S+ 0 0 77 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.582 91.8 69.2 -66.2 -11.8 35.1 1.2 56.0 90 88 A K T < S+ 0 0 103 -3,-1.6 209,-2.8 -4,-0.3 210,-0.4 0.663 96.8 59.5 -80.4 -18.5 36.0 -0.1 59.4 91 89 A L B < S-G 298 0C 0 -3,-1.7 207,-0.2 -4,-0.4 206,-0.1 -0.800 101.2 -92.0-109.3 151.9 39.8 0.3 58.8 92 90 A Y >> - 0 0 36 205,-1.9 3,-1.8 -2,-0.3 4,-0.7 -0.452 38.7-129.5 -59.8 128.6 41.8 3.5 58.0 93 91 A P H >> S+ 0 0 87 0, 0.0 4,-0.8 0, 0.0 3,-0.7 0.823 103.2 61.5 -55.8 -35.3 41.8 3.6 54.1 94 92 A F H 3> S+ 0 0 36 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.770 95.7 61.8 -64.8 -22.9 45.6 4.1 53.9 95 93 A T H X4 S+ 0 0 0 -3,-1.8 3,-1.0 1,-0.2 4,-0.3 0.869 97.1 57.2 -71.4 -33.6 46.2 0.7 55.6 96 94 A W H X< S+ 0 0 6 -4,-0.7 3,-1.3 -3,-0.7 -1,-0.2 0.791 95.9 65.7 -65.6 -27.9 44.4 -1.0 52.7 97 95 A D H >< S+ 0 0 92 -4,-0.8 3,-0.9 -3,-0.3 -1,-0.2 0.769 92.1 62.5 -64.8 -25.4 46.9 0.5 50.3 98 96 A A T << S+ 0 0 4 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.639 111.4 37.1 -73.7 -15.3 49.7 -1.5 51.9 99 97 A V T < S+ 0 0 0 -3,-1.3 7,-2.5 -4,-0.3 2,-0.5 0.099 91.4 107.2-125.4 21.4 48.0 -4.7 50.8 100 98 A R E < -H 105 0D 62 -3,-0.9 2,-0.6 5,-0.2 5,-0.2 -0.909 43.7-169.7-108.0 123.2 46.6 -3.8 47.4 101 99 A Y E > S-H 104 0D 74 3,-3.2 3,-1.4 -2,-0.5 -3,-0.0 -0.937 74.7 -63.6-115.8 107.0 48.2 -5.2 44.2 102 100 A N T 3 S- 0 0 152 -2,-0.6 2,-1.0 1,-0.3 -1,-0.1 0.725 119.2 -7.5 -45.7 139.3 46.3 -3.1 42.2 103 101 A G T 3 S+ 0 0 61 1,-0.1 -1,-0.3 -3,-0.0 2,-0.3 -0.663 121.1 89.8 86.1 -66.0 42.7 -3.6 42.3 104 102 A K E < -H 101 0D 117 -3,-1.4 -3,-3.2 -2,-1.0 2,-0.4 -0.398 63.6-151.4 -84.1 127.3 43.3 -6.7 44.4 105 103 A L E +H 100 0D 13 -24,-0.4 -24,-2.3 -2,-0.3 -5,-0.2 -0.736 15.1 176.5 -84.8 132.9 43.5 -7.0 48.2 106 104 A I + 0 0 13 -7,-2.5 154,-0.4 -2,-0.4 2,-0.3 0.345 60.5 17.5-120.0 5.9 45.8 -9.8 49.4 107 105 A A S S- 0 0 0 -8,-0.4 152,-0.3 152,-0.2 -1,-0.2 -0.977 71.6-108.2-165.3 162.8 45.8 -9.4 53.2 108 106 A Y E -D 258 0A 0 150,-2.7 150,-2.5 -2,-0.3 2,-0.2 -0.893 34.2-129.2 -98.4 125.3 44.0 -7.7 56.1 109 107 A P E +D 257 0A 0 0, 0.0 148,-0.2 0, 0.0 3,-0.1 -0.495 32.0 169.4 -70.8 142.8 45.8 -4.8 57.8 110 108 A I E - 0 0 4 146,-3.0 187,-2.5 1,-0.4 188,-0.5 0.714 57.1 -3.5-117.8 -52.5 46.1 -5.2 61.6 111 109 A A E -DE 256 296A 4 145,-1.2 145,-1.5 185,-0.3 -1,-0.4 -0.953 56.4-138.8-144.6 160.4 48.4 -2.6 63.0 112 110 A V E -DE 255 295A 3 183,-3.0 183,-0.9 -2,-0.3 2,-0.4 -0.949 12.0-166.8-127.1 148.4 50.7 0.2 61.8 113 111 A E E +D 254 0A 79 141,-2.1 141,-2.5 -2,-0.4 2,-0.3 -0.998 17.2 149.4-137.4 135.6 54.2 1.2 63.0 114 112 A A - 0 0 0 -2,-0.4 204,-0.1 139,-0.2 139,-0.1 -0.983 44.7 -89.2-157.0 161.2 56.2 4.4 62.3 115 113 A L - 0 0 0 137,-0.4 2,-0.3 -2,-0.3 107,-0.2 -0.350 40.4-172.1 -69.5 152.1 58.8 6.7 63.8 116 114 A S E -I 221 0E 2 105,-2.3 105,-1.6 124,-0.1 2,-0.6 -0.880 33.0 -95.9-132.6 171.9 57.8 9.6 66.0 117 115 A L E -IJ 220 239E 0 122,-2.1 122,-2.8 -2,-0.3 2,-0.4 -0.821 40.0-162.6 -85.9 124.6 59.5 12.6 67.7 118 116 A I E -IJ 219 238E 0 101,-2.8 101,-2.6 -2,-0.6 2,-0.3 -0.934 12.6-176.6-110.1 134.8 60.3 11.6 71.2 119 117 A Y E -IJ 218 237E 32 118,-2.4 118,-2.3 -2,-0.4 2,-0.7 -0.956 31.8-120.1-139.1 150.6 61.1 14.5 73.7 120 118 A N E >> - 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0 0 110 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.211 20.7-161.4 -59.6 128.2 51.1 -4.1 72.4 293 299 A L - 0 0 25 1,-0.3 2,-0.4 -9,-0.2 -37,-0.1 0.668 29.3-147.7 -75.2 -17.7 50.0 -3.8 68.8 294 300 A G + 0 0 9 -183,-0.1 2,-0.4 -6,-0.1 -1,-0.3 -0.718 65.4 5.3 81.8-134.4 50.8 -0.1 68.8 295 301 A A E S-E 112 0A 0 -183,-0.9 -183,-3.0 -2,-0.4 2,-0.2 -0.699 82.5-147.0 -83.0 134.2 48.4 1.8 66.5 296 302 A V E -E 111 0A 0 -2,-0.4 -185,-0.3 -185,-0.3 -204,-0.1 -0.682 18.1-132.5-108.1 159.3 45.8 -0.4 65.0 297 303 A A S S+ 0 0 0 -187,-2.5 -205,-1.9 -2,-0.2 2,-0.5 0.701 83.2 93.6 -77.7 -22.3 44.1 -0.4 61.6 298 304 A L B > -G 91 0C 3 -188,-0.5 4,-2.5 -207,-0.2 3,-0.3 -0.636 67.3-152.0 -79.9 120.5 40.6 -0.8 63.1 299 305 A K H > S+ 0 0 62 -209,-2.8 4,-1.8 -2,-0.5 5,-0.2 0.889 89.1 54.6 -62.9 -44.6 39.0 2.6 63.6 300 306 A S H 4 S+ 0 0 56 -210,-0.4 4,-0.4 1,-0.2 -1,-0.2 0.884 115.8 37.8 -60.4 -39.5 36.8 1.7 66.6 301 307 A Y H >> S+ 0 0 15 -3,-0.3 4,-2.7 2,-0.2 3,-1.4 0.883 109.7 60.5 -81.6 -37.1 39.7 0.3 68.7 302 308 A E H 3X S+ 0 0 5 -4,-2.5 4,-2.3 1,-0.3 -2,-0.2 0.845 100.7 56.9 -56.6 -32.7 42.2 2.9 67.6 303 309 A E H 3< S+ 0 0 130 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.716 109.0 46.1 -75.3 -17.7 39.9 5.5 69.1 304 310 A E H X4 S+ 0 0 111 -3,-1.4 3,-1.2 -4,-0.4 -2,-0.2 0.880 114.7 46.2 -81.3 -46.3 40.2 3.7 72.4 305 311 A L H >< S+ 0 0 18 -4,-2.7 3,-2.6 1,-0.2 6,-0.3 0.814 94.7 78.9 -64.5 -31.4 44.0 3.3 72.1 306 312 A A T 3< S+ 0 0 39 -4,-2.3 -1,-0.2 1,-0.3 6,-0.2 0.565 70.9 79.9 -61.2 -9.2 44.4 7.0 71.1 307 313 A K T < S+ 0 0 142 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.1 0.613 79.5 76.3 -74.6 -11.5 44.0 8.1 74.8 308 314 A D S X> S- 0 0 44 -3,-2.6 4,-1.7 1,-0.1 3,-1.3 -0.923 81.9-154.7 -88.5 105.1 47.6 7.0 75.0 309 315 A P H 3> S+ 0 0 89 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.773 89.4 64.5 -54.7 -30.0 49.0 10.1 73.3 310 316 A R H 3> S+ 0 0 63 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.892 104.4 44.7 -61.5 -39.8 52.1 8.1 72.2 311 317 A I H <> S+ 0 0 15 -3,-1.3 4,-2.3 -6,-0.3 -1,-0.2 0.896 109.3 55.7 -73.2 -39.3 49.9 5.8 70.1 312 318 A A H X S+ 0 0 37 -4,-1.7 4,-2.4 -7,-0.2 -2,-0.2 0.890 108.1 50.2 -55.6 -41.7 48.0 8.8 68.6 313 319 A A H X S+ 0 0 5 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.889 106.3 54.2 -65.5 -42.2 51.4 10.1 67.6 314 320 A T H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.939 112.5 44.3 -55.9 -46.6 52.4 6.8 66.0 315 321 A M H X S+ 0 0 8 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.892 111.5 52.4 -68.3 -40.4 49.2 6.9 63.9 316 322 A E H X S+ 0 0 76 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.923 113.0 43.8 -62.8 -44.4 49.6 10.6 62.9 317 323 A N H X S+ 0 0 2 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.872 113.4 52.9 -65.9 -36.3 53.1 10.1 61.7 318 324 A A H >< S+ 0 0 2 -4,-2.0 3,-0.6 -5,-0.3 -2,-0.2 0.885 106.0 52.2 -66.2 -38.9 52.0 6.9 59.9 319 325 A Q H 3< S+ 0 0 101 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.765 114.5 44.1 -68.4 -22.5 49.2 8.7 58.1 320 326 A K H 3< S+ 0 0 83 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.523 107.4 80.5 -96.2 -6.9 51.8 11.3 57.0 321 327 A G S << S- 0 0 17 -4,-0.7 2,-0.5 -3,-0.6 -69,-0.2 -0.027 83.5 -94.2 -94.4-167.1 54.4 8.7 56.0 322 328 A E E -n 252 0G 30 -71,-2.1 -69,-2.7 -72,-0.1 2,-0.1 -0.943 35.0-117.8-114.6 124.0 55.2 6.4 53.1 323 329 A I E -n 253 0G 41 -2,-0.5 -152,-0.2 -71,-0.2 -69,-0.2 -0.417 45.6-104.7 -53.6 129.8 54.0 2.8 53.1 324 330 A M - 0 0 26 -71,-2.7 -69,-0.1 -2,-0.1 -1,-0.1 -0.379 34.8-120.3 -63.5 133.8 57.3 0.8 53.1 325 331 A P - 0 0 21 0, 0.0 -258,-0.1 0, 0.0 -1,-0.1 -0.291 44.4 -77.9 -64.4 160.5 58.0 -0.7 49.7 326 332 A N >> - 0 0 25 1,-0.1 4,-2.5 4,-0.1 3,-0.8 -0.256 55.5 -96.0 -58.3 153.2 58.3 -4.5 49.5 327 333 A I H 3> S+ 0 0 60 -260,-2.1 4,-3.1 1,-0.3 5,-0.2 0.775 120.1 51.2 -45.5 -47.5 61.7 -5.8 50.7 328 334 A P H 3> S+ 0 0 44 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.909 115.3 42.9 -65.0 -37.6 63.5 -6.2 47.4 329 335 A Q H <> S+ 0 0 77 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.903 115.1 50.2 -68.1 -43.2 62.7 -2.6 46.4 330 336 A M H X S+ 0 0 21 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.900 109.1 52.9 -60.7 -41.4 63.4 -1.3 49.9 331 337 A S H X S+ 0 0 36 -4,-3.1 4,-2.9 -5,-0.2 5,-0.2 0.915 107.8 48.9 -61.7 -45.1 66.8 -3.1 49.8 332 338 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.928 114.9 46.5 -61.4 -43.4 67.9 -1.5 46.5 333 339 A F H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.938 112.4 50.3 -59.5 -49.4 66.9 1.8 48.0 334 340 A W H X S+ 0 0 80 -4,-3.1 4,-2.6 1,-0.2 5,-0.3 0.925 108.7 51.0 -57.6 -50.2 68.7 1.1 51.3 335 341 A Y H X S+ 0 0 86 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.923 116.0 42.0 -52.6 -50.6 72.0 0.1 49.7 336 342 A A H X S+ 0 0 1 -4,-1.7 4,-1.3 -5,-0.2 -2,-0.2 0.945 119.5 39.9 -65.9 -51.2 72.1 3.2 47.5 337 343 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.809 104.2 65.8 -74.9 -31.4 71.0 5.8 50.1 338 344 A R H X S+ 0 0 32 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.921 106.9 42.4 -57.9 -44.4 72.9 4.5 53.1 339 345 A T H X S+ 0 0 29 -4,-1.0 4,-3.0 -5,-0.3 5,-0.2 0.900 111.3 56.9 -70.5 -38.6 76.2 5.2 51.5 340 346 A A H X S+ 0 0 2 -4,-1.3 4,-2.5 1,-0.2 5,-0.2 0.948 110.3 41.9 -57.1 -53.2 75.1 8.6 50.2 341 347 A V H X S+ 0 0 4 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.923 115.7 49.6 -63.6 -43.8 74.1 10.0 53.6 342 348 A I H X S+ 0 0 12 -4,-1.9 4,-1.7 -5,-0.3 6,-0.3 0.937 112.7 47.1 -63.8 -44.0 77.2 8.6 55.3 343 349 A N H X>S+ 0 0 8 -4,-3.0 5,-1.4 2,-0.2 6,-1.4 0.899 116.1 44.9 -60.9 -43.9 79.5 10.1 52.6 344 350 A A H <5S+ 0 0 6 -4,-2.5 3,-0.4 -5,-0.2 -2,-0.2 0.915 113.6 49.3 -65.0 -46.3 77.7 13.5 52.8 345 351 A A H <5S+ 0 0 8 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.796 115.8 43.6 -63.8 -29.7 77.6 13.5 56.6 346 352 A S H <5S- 0 0 28 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.542 112.2-116.5 -94.9 -10.2 81.4 12.6 56.8 347 353 A G T <5S+ 0 0 28 -4,-0.9 -3,-0.2 -3,-0.4 -4,-0.1 0.504 79.1 125.9 87.9 4.5 82.4 15.0 54.1 348 354 A R S - 0 0 88 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.485 42.2-106.8 -75.0 160.6 79.2 16.9 48.6 351 357 A V H > S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.912 119.2 52.4 -53.7 -45.7 75.4 16.4 49.0 352 358 A D H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.936 112.6 41.8 -58.9 -51.5 75.0 16.7 45.2 353 359 A E H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.856 113.4 54.6 -69.2 -31.7 77.6 14.2 44.2 354 360 A A H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.932 112.6 41.2 -66.4 -46.7 76.4 11.8 47.0 355 361 A L H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.836 110.9 59.3 -71.5 -30.4 72.8 11.8 45.8 356 362 A K H X S+ 0 0 71 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.946 110.3 41.0 -60.0 -49.4 74.0 11.6 42.2 357 363 A D H X S+ 0 0 61 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.865 110.2 59.3 -67.3 -36.6 75.8 8.4 42.9 358 364 A A H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.922 107.7 47.0 -55.0 -44.0 72.9 7.1 45.0 359 365 A Q H X S+ 0 0 37 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.925 114.5 44.2 -67.2 -44.9 70.6 7.4 42.1 360 366 A T H X S+ 0 0 75 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.914 114.1 50.9 -69.3 -39.2 72.9 5.7 39.5 361 500 A N H X S+ 0 0 37 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.916 108.0 53.4 -59.5 -42.6 73.7 3.0 42.0 362 501 A K H X S+ 0 0 10 -4,-2.4 4,-3.1 -5,-0.3 5,-0.3 0.864 102.9 57.2 -61.1 -37.1 70.0 2.5 42.6 363 502 A Q H X S+ 0 0 91 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.943 111.4 43.5 -56.6 -47.5 69.5 2.1 38.8 364 503 A W H X S+ 0 0 75 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.918 114.3 48.3 -63.8 -46.0 71.9 -0.8 39.0 365 504 A Y H X S+ 0 0 23 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.916 112.8 48.5 -66.6 -39.4 70.5 -2.3 42.1 366 505 A D H X S+ 0 0 51 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.902 111.5 50.5 -63.9 -40.5 66.9 -2.1 40.7 367 506 A A H X S+ 0 0 53 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.924 113.0 45.2 -64.5 -43.8 68.1 -3.7 37.5 368 507 A L H X S+ 0 0 9 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.857 109.9 54.2 -70.0 -34.9 69.8 -6.6 39.3 369 508 A T H X S+ 0 0 14 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.912 109.6 49.5 -61.8 -40.9 66.8 -7.1 41.6 370 509 A W H X S+ 0 0 153 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.909 108.7 52.5 -63.2 -39.1 64.7 -7.4 38.5 371 510 A M H X S+ 0 0 44 -4,-2.0 4,-1.3 1,-0.2 3,-0.5 0.936 105.8 55.1 -64.3 -41.6 67.2 -9.9 37.0 372 511 A R H < S+ 0 0 93 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.867 115.1 37.6 -58.5 -40.0 67.0 -12.0 40.2 373 512 A E H < S+ 0 0 69 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.634 121.4 43.9 -87.1 -14.5 63.2 -12.3 39.9 374 513 A N H < S+ 0 0 83 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.358 96.2 71.9-120.6 5.7 62.9 -12.6 36.1 375 514 A T S < S- 0 0 36 -4,-1.3 3,-0.2 -3,-0.2 0, 0.0 -0.873 86.1 -88.9-119.3 156.3 65.6 -15.0 34.9 376 515 A P S S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.017 95.7 39.3 -68.3 169.1 65.6 -18.8 35.5 377 516 A D >> + 0 0 71 3,-0.1 4,-1.3 12,-0.0 3,-0.7 0.785 63.2 159.4 65.9 34.7 66.9 -21.1 38.3 378 517 A G H >> S+ 0 0 28 1,-0.2 4,-1.3 -3,-0.2 3,-0.9 0.929 70.0 43.1 -46.2 -61.6 65.9 -18.7 41.1 379 518 A E H 3> S+ 0 0 170 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.623 110.0 57.0 -70.7 -14.7 65.8 -21.2 43.9 380 519 A K H <4 S+ 0 0 165 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.745 109.0 45.8 -85.5 -25.8 69.1 -22.9 42.9 381 520 A Y H << S+ 0 0 19 -4,-1.3 -2,-0.2 -3,-0.9 -1,-0.1 0.725 99.6 69.5 -84.8 -25.2 71.0 -19.6 43.0 382 521 A D H < S+ 0 0 71 -4,-1.3 2,-1.8 -5,-0.2 -2,-0.1 0.824 81.8 74.0 -68.2 -31.8 69.6 -18.5 46.4 383 522 A E < 0 0 182 -4,-0.6 -1,-0.2 1,-0.0 -4,-0.0 -0.655 360.0 360.0 -75.7 86.7 71.5 -21.3 48.2 384 523 A Y 0 0 133 -2,-1.8 -3,-0.1 0, 0.0 -2,-0.1 -0.816 360.0 360.0-113.5 360.0 74.6 -19.2 47.7 385 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 386 541 A P > 0 0 140 0, 0.0 3,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 178.7 78.4 -26.2 38.7 387 542 A F T 3 + 0 0 208 1,-0.2 2,-1.0 3,-0.0 0, 0.0 0.954 360.0 54.4 -55.5 -59.4 77.6 -27.5 35.2 388 543 A E T 3 S+ 0 0 175 2,-0.0 -1,-0.2 0, 0.0 2,-0.2 0.065 86.9 107.6 -76.0 29.6 73.9 -26.4 34.8 389 544 A T < - 0 0 44 -3,-1.0 2,-0.3 -2,-1.0 -12,-0.0 -0.641 55.5-147.8 -96.9 161.6 74.7 -22.7 35.6 390 545 A Y - 0 0 67 -2,-0.2 19,-0.5 2,-0.0 2,-0.3 -0.863 14.9-120.2-122.3 164.7 74.7 -19.8 33.1 391 546 A G E -o 409 0H 39 -2,-0.3 2,-0.5 17,-0.1 0, 0.0 -0.769 5.9-150.8-108.7 150.4 76.8 -16.7 33.1 392 547 A V E -o 410 0H 22 17,-2.3 19,-2.1 -2,-0.3 2,-0.5 -0.979 21.3-152.5-112.8 120.6 76.0 -13.0 33.1 393 548 A I + 0 0 137 -2,-0.5 2,-0.3 17,-0.2 3,-0.0 -0.818 33.9 129.6-102.9 134.5 78.6 -10.9 31.3 394 549 A S - 0 0 43 -2,-0.5 18,-0.2 18,-0.0 2,-0.1 -0.901 64.6 -58.2-159.5-178.9 79.3 -7.3 32.2 395 550 A W > - 0 0 146 -2,-0.3 3,-2.1 1,-0.1 4,-0.3 -0.408 53.4-113.2 -73.2 154.4 82.3 -5.1 33.0 396 551 A W G > S+ 0 0 153 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.714 109.8 74.7 -65.9 -17.5 84.3 -6.4 35.9 397 552 A D G 3 S+ 0 0 88 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.703 101.4 43.6 -60.8 -18.7 83.4 -3.4 38.0 398 553 A Y G X> S+ 0 0 67 -3,-2.1 4,-2.2 1,-0.1 3,-0.6 0.473 80.3 100.2-112.3 -1.2 80.0 -4.8 38.4 399 554 A G H <> S+ 0 0 0 -3,-0.9 4,-2.3 -4,-0.3 5,-0.2 0.846 81.5 52.3 -60.5 -40.7 80.6 -8.5 39.2 400 555 A H H 3> S+ 0 0 44 -4,-0.4 4,-2.6 1,-0.2 -1,-0.3 0.832 110.8 49.2 -68.0 -30.6 80.2 -8.3 43.0 401 556 A W H <>>S+ 0 0 47 -3,-0.6 4,-3.2 2,-0.2 5,-1.1 0.899 108.1 53.8 -69.6 -42.3 76.8 -6.6 42.5 402 557 A I H <5S+ 0 0 3 -4,-2.2 6,-1.7 1,-0.2 5,-0.4 0.927 115.7 40.5 -58.7 -42.1 75.7 -9.2 40.0 403 558 A E H <5S+ 0 0 45 -4,-2.3 4,-0.4 4,-0.2 -2,-0.2 0.946 122.7 38.3 -70.9 -45.8 76.6 -11.9 42.6 404 559 A A H <5S+ 0 0 54 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.838 130.1 24.1 -80.4 -33.0 75.2 -10.1 45.7 405 560 A V T <5S+ 0 0 12 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.883 130.6 34.4-101.6 -51.2 72.1 -8.4 44.2 406 561 A A S >S+ 0 0 22 0, 0.0 3,-2.1 0, 0.0 5,-0.6 0.869 88.6 62.8 -43.8 -55.4 86.1 -9.2 41.6 415 570 A F I 3>>S+ 0 0 59 1,-0.3 4,-1.1 4,-0.1 5,-1.1 0.875 105.1 44.7 -43.4 -55.4 85.7 -11.7 44.5 416 571 A Q I 345S+ 0 0 142 -3,-0.4 -1,-0.3 1,-0.3 -3,-0.1 0.037 87.0 89.4 -88.7 28.6 87.6 -14.5 42.8 417 572 A A I <45S- 0 0 82 -3,-2.1 -1,-0.3 3,-0.1 -2,-0.1 -0.109 119.6 -90.8-105.5 29.0 90.4 -12.3 41.6 418 573 A G I 45S+ 0 0 46 -3,-0.4 11,-2.8 9,-0.1 -2,-0.2 0.728 94.7 124.9 75.2 24.3 92.1 -13.1 44.8 419 574 A I I << + 0 0 32 -4,-1.1 11,-2.1 -5,-0.6 12,-0.8 0.862 38.6 172.8 -83.0 -37.6 90.7 -10.1 46.7 420 575 A G < - 0 0 8 -5,-1.1 2,-0.3 7,-0.2 8,-0.1 -0.022 21.6-119.7 57.9-169.0 89.1 -12.1 49.6 421 576 A N B > -P 426 0I 14 5,-2.4 5,-1.1 1,-0.1 50,-0.2 -0.984 9.2-135.2-162.8 166.1 87.6 -10.3 52.7 422 577 A K T > 5S+ 0 0 21 49,-2.8 3,-0.8 -2,-0.3 50,-0.2 0.798 97.7 63.4 -95.6 -34.4 87.8 -10.0 56.4 423 578 A Y T 3 5S+ 0 0 120 48,-1.5 -1,-0.1 1,-0.3 49,-0.1 0.730 118.5 27.3 -69.5 -21.1 84.1 -10.2 57.4 424 579 A N T 3 5S- 0 0 109 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.251 108.2-118.4-120.3 7.9 83.9 -13.8 56.1 425 580 A N T < 5 + 0 0 93 -3,-0.8 -3,-0.2 1,-0.2 -2,-0.1 0.877 54.4 160.4 55.0 42.7 87.6 -14.7 56.6 426 581 A V B < -P 421 0I 66 -5,-1.1 -5,-2.4 -7,-0.0 5,-0.3 -0.860 42.7-122.6 -93.7 112.3 88.2 -15.4 52.9 427 582 A P + 0 0 29 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.287 58.8 117.1 -57.2 134.4 92.0 -15.2 52.3 428 583 A G S > S- 0 0 0 -9,-0.2 4,-1.5 -8,-0.1 -9,-0.3 -0.963 77.2 -71.4-178.6-179.6 92.9 -12.6 49.7 429 584 A A H > S+ 0 0 46 -11,-2.8 4,-2.5 -2,-0.3 5,-0.3 0.893 125.0 50.5 -59.7 -41.6 94.8 -9.4 49.2 430 585 A S H > S+ 0 0 1 -11,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.903 111.5 46.4 -69.3 -37.3 92.3 -7.2 51.1 431 586 A S H 4 S+ 0 0 0 -12,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.737 114.3 50.2 -77.8 -18.2 92.2 -9.4 54.1 432 587 A F H >< S+ 0 0 11 -4,-1.5 3,-1.2 2,-0.2 91,-0.3 0.943 113.1 41.9 -79.4 -51.8 96.1 -9.7 54.1 433 588 A F H 3< S+ 0 0 24 -4,-2.5 91,-2.6 1,-0.3 92,-0.3 0.773 120.4 43.2 -71.9 -24.2 96.8 -6.0 53.8 434 589 A T T 3< S+ 0 0 0 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.276 82.1 139.6 -98.9 9.8 94.2 -5.0 56.4 435 590 A A < - 0 0 0 -3,-1.2 88,-1.6 1,-0.2 89,-0.1 -0.320 48.4-146.9 -58.0 133.1 95.1 -7.8 58.7 436 591 A E S S+ 0 0 84 86,-0.2 2,-0.3 87,-0.1 -1,-0.2 0.562 76.0 12.8 -87.9 -8.0 94.9 -6.5 62.3 437 592 A N S > S- 0 0 91 1,-0.1 4,-1.9 0, 0.0 3,-0.2 -0.971 79.7-107.2-156.5 167.7 97.8 -8.7 63.6 438 593 A E H > S+ 0 0 32 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.844 115.0 61.0 -71.0 -32.8 100.5 -10.9 62.2 439 594 A S H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 108.3 44.8 -56.7 -43.3 98.8 -14.1 63.2 440 595 A Y H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.907 112.2 51.7 -67.2 -41.1 95.8 -13.1 61.0 441 596 A A H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.885 109.3 51.1 -61.7 -38.6 98.2 -12.2 58.2 442 597 A E H X S+ 0 0 35 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.881 105.3 55.2 -69.1 -39.4 99.9 -15.5 58.5 443 598 A F H X S+ 0 0 83 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.961 114.0 41.8 -50.8 -52.6 96.5 -17.3 58.3 444 599 A V H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.945 115.5 48.8 -64.1 -47.8 95.8 -15.6 55.0 445 600 A A H <>S+ 0 0 0 -4,-3.0 5,-2.6 1,-0.2 4,-0.5 0.882 111.1 48.9 -61.3 -42.3 99.4 -16.0 53.7 446 601 A E H ><5S+ 0 0 122 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.903 108.6 53.7 -67.3 -38.7 99.6 -19.7 54.4 447 602 A K H 3<5S+ 0 0 152 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.861 117.6 37.8 -60.8 -33.6 96.2 -20.3 52.8 448 603 A L T 3<5S- 0 0 86 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.362 108.6-121.7-100.0 2.1 97.4 -18.6 49.7 449 604 A N T < 5 - 0 0 132 -3,-0.9 2,-0.2 -4,-0.5 -3,-0.2 0.895 42.2-172.7 53.1 45.4 101.0 -20.0 49.8 450 605 A V < + 0 0 33 -5,-2.6 -1,-0.2 1,-0.2 3,-0.1 -0.489 24.6 161.0 -68.8 130.7 102.5 -16.4 49.9 451 606 A K + 0 0 102 1,-0.3 170,-3.0 -2,-0.2 2,-0.3 0.607 66.0 32.6-117.4 -29.0 106.2 -16.2 49.6 452 607 A Y E -Q 620 0J 107 168,-0.2 2,-0.4 86,-0.0 -1,-0.3 -0.968 60.4-158.1-130.5 148.6 106.6 -12.5 48.5 453 608 A V E -Q 619 0J 5 166,-2.7 166,-2.9 -2,-0.3 2,-0.5 -0.981 5.0-165.5-120.7 134.3 104.8 -9.3 49.2 454 609 A V E +Q 618 0J 82 -2,-0.4 2,-0.4 164,-0.2 164,-0.2 -0.986 13.3 174.6-119.9 123.8 104.9 -6.2 47.0 455 610 A S E -Q 617 0J 0 162,-2.6 162,-3.3 -2,-0.5 2,-0.2 -0.982 9.0-167.7-125.2 138.6 103.6 -2.9 48.4 456 611 A D E > -Q 616 0J 29 -2,-0.4 4,-1.2 160,-0.2 160,-0.2 -0.705 39.7-102.5-114.3 177.1 103.7 0.6 46.9 457 612 A I H > S+ 0 0 0 158,-1.3 4,-1.7 -2,-0.2 5,-0.2 0.746 119.4 61.1 -71.7 -24.4 103.1 4.0 48.4 458 613 A E H 4>S+ 0 0 53 2,-0.2 5,-3.0 157,-0.2 6,-0.6 0.907 103.6 49.7 -66.0 -41.1 99.6 4.1 46.8 459 614 A M H 45S+ 0 0 34 1,-0.2 -2,-0.2 4,-0.2 -1,-0.2 0.838 112.4 49.8 -63.7 -32.2 98.6 1.0 48.7 460 615 A E H <5S+ 0 0 0 -4,-1.2 -1,-0.2 3,-0.1 -2,-0.2 0.833 128.6 12.4 -71.5 -35.8 99.9 2.7 51.8 461 616 A T T >X5S+ 0 0 0 -4,-1.7 3,-1.3 -5,-0.1 4,-0.6 0.614 130.2 11.6-111.5-101.4 98.0 5.9 51.2 462 617 A G T 345S+ 0 0 54 1,-0.3 4,-0.4 -5,-0.2 3,-0.4 0.755 125.9 48.7 -60.8 -32.0 95.2 6.6 48.7 463 618 A K T 3> S+ 0 0 0 -3,-1.3 4,-2.5 -6,-0.6 5,-0.2 0.898 85.3 62.0 -58.5 -37.3 94.3 1.7 51.3 465 620 A Y H X S+ 0 0 41 -4,-0.6 4,-2.3 -3,-0.4 -1,-0.2 0.937 103.3 47.3 -54.6 -49.4 90.7 3.0 51.4 466 621 A A H > S+ 0 0 48 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.881 110.0 52.9 -58.4 -42.6 89.7 0.6 48.6 467 622 A M H X S+ 0 0 27 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.894 110.6 47.9 -61.9 -37.5 91.4 -2.3 50.3 468 623 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 6,-0.3 0.878 108.5 53.6 -72.8 -37.4 89.5 -1.6 53.5 469 624 A V H X>S+ 0 0 21 -4,-2.3 4,-1.7 -5,-0.2 5,-1.2 0.924 113.5 43.1 -61.3 -44.0 86.2 -1.3 51.7 470 625 A W H <5S+ 0 0 71 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.916 113.4 51.5 -67.6 -42.5 86.7 -4.7 50.1 471 626 A A H <5S+ 0 0 0 -4,-2.4 -49,-2.8 1,-0.2 -48,-1.5 0.890 119.8 35.1 -59.2 -42.0 88.0 -6.2 53.4 472 627 A E H <5S- 0 0 28 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.660 101.2-135.0 -89.2 -18.4 84.9 -5.0 55.3 473 628 A G T <5S+ 0 0 45 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.739 76.8 77.9 72.5 24.3 82.6 -5.5 52.3 474 629 A D S >4 S+ 0 0 55 -2,-0.3 3,-1.1 2,-0.2 4,-0.3 0.957 104.9 47.5 -63.7 -52.2 81.9 1.6 52.4 476 631 A P G >4 S+ 0 0 16 0, 0.0 3,-2.5 0, 0.0 4,-0.3 0.900 104.4 60.5 -57.7 -43.5 80.8 2.9 55.8 477 632 A L G >4 S+ 0 0 74 1,-0.3 3,-0.9 2,-0.2 -2,-0.2 0.732 95.7 63.1 -57.1 -24.6 82.7 0.2 57.7 478 633 A A G X< S+ 0 0 0 -3,-1.1 3,-1.4 -4,-0.6 -1,-0.3 0.589 81.8 81.9 -75.4 -10.7 85.9 1.4 56.2 479 634 A E G X S+ 0 0 27 -3,-2.5 3,-2.0 -4,-0.3 -1,-0.2 0.783 75.2 71.4 -67.1 -23.3 85.5 4.8 58.0 480 635 A K G < S+ 0 0 90 -3,-0.9 38,-0.4 -4,-0.3 -1,-0.3 0.656 87.0 65.9 -70.0 -12.9 87.0 3.3 61.2 481 636 A Y G < S+ 0 0 0 -3,-1.4 35,-1.9 37,-0.1 2,-0.3 0.474 98.4 69.2 -81.3 -1.5 90.4 3.3 59.5 482 637 A Y B < +S 515 0K 22 -3,-2.0 35,-0.1 33,-0.3 32,-0.1 -0.919 51.1 176.5-129.9 146.2 90.4 7.1 59.3 483 638 A G - 0 0 15 31,-3.8 33,-0.1 -2,-0.3 -1,-0.1 0.339 39.8 -66.9-110.4-120.4 90.6 10.1 61.7 484 639 A G - 0 0 0 31,-0.2 30,-2.8 15,-0.1 2,-0.3 0.116 48.3 -71.7-120.9-135.3 90.7 13.8 61.0 485 640 A Y E -T 497 0L 34 12,-2.1 12,-2.3 28,-0.2 2,-0.3 -0.977 19.5-130.2-141.4 141.8 92.8 16.6 59.4 486 641 A F E +T 496 0L 6 26,-0.5 24,-2.1 24,-0.4 2,-0.3 -0.666 40.5 162.9 -80.3 148.7 95.9 18.8 59.9 487 642 A Y E -TU 495 509L 33 8,-1.8 8,-2.5 -2,-0.3 2,-0.5 -0.973 38.3-124.0-154.8 165.0 95.3 22.5 59.5 488 643 A Y E -TU 494 508L 56 20,-2.5 20,-2.7 -2,-0.3 6,-0.2 -0.991 31.2-135.7-115.2 127.2 96.7 25.9 60.2 489 644 A S > - 0 0 12 4,-2.9 3,-2.1 -2,-0.5 18,-0.1 -0.191 30.1-101.1 -72.5 166.3 94.5 28.2 62.2 490 645 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 17,-0.1 0.673 124.7 58.8 -62.8 -14.0 94.1 31.9 61.2 491 646 A T T 3 S- 0 0 116 2,-0.1 3,-0.1 0, 0.0 -2,-0.0 0.377 122.5-106.5 -94.4 4.2 96.6 32.7 64.0 492 647 A G S < S+ 0 0 50 -3,-2.1 2,-0.4 1,-0.3 15,-0.0 0.424 72.1 143.9 90.9 -0.2 99.2 30.5 62.4 493 648 A T - 0 0 81 -5,-0.1 -4,-2.9 1,-0.0 2,-0.3 -0.601 46.7-134.0 -78.7 127.9 98.9 27.7 65.0 494 649 A F E +T 488 0L 63 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.627 38.2 164.0 -78.7 136.3 99.4 24.2 63.5 495 650 A G E -T 487 0L 15 -8,-2.5 -8,-1.8 -2,-0.3 2,-0.4 -0.901 35.5-133.3-147.6 170.8 96.8 21.7 64.8 496 651 A Y E -T 486 0L 56 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -1.000 19.6-168.2-129.3 135.8 95.0 18.4 64.4 497 652 A A E -T 485 0L 5 -12,-2.3 -12,-2.1 -2,-0.4 3,-0.1 -0.978 23.2-146.5-124.8 138.8 91.2 17.9 64.6 498 653 A N S S+ 0 0 125 -2,-0.4 2,-0.4 -14,-0.2 -1,-0.1 0.840 94.1 35.1 -65.1 -34.4 89.3 14.7 64.8 499 654 A S S > S- 0 0 30 -15,-0.1 3,-2.1 1,-0.1 4,-0.3 -0.981 74.3-136.4-127.6 134.4 86.6 16.3 62.7 500 655 A Q G > S+ 0 0 58 -2,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.815 107.9 61.4 -48.2 -35.4 86.8 18.8 59.9 501 656 A W G 3 S+ 0 0 43 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.610 94.3 61.3 -76.6 -10.8 83.9 20.6 61.5 502 657 A D G < S+ 0 0 86 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.518 81.6 107.9 -88.2 -5.5 86.0 21.2 64.7 503 658 A I S < S- 0 0 16 -3,-1.3 4,-0.1 -4,-0.3 3,-0.1 -0.541 80.2-107.5 -77.4 131.1 88.5 23.2 62.6 504 659 A P > - 0 0 55 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.233 42.3 -97.0 -55.3 146.0 88.4 27.0 63.2 505 660 A L T 3 S+ 0 0 150 1,-0.2 3,-0.1 -16,-0.0 0, 0.0 -0.267 108.0 25.8 -61.0 152.9 86.9 29.1 60.4 506 661 A N T 3 S+ 0 0 149 1,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.694 89.8 141.4 63.5 19.6 89.4 30.6 57.9 507 662 A S < - 0 0 22 -3,-1.0 2,-0.7 -4,-0.1 -18,-0.2 -0.510 59.5-117.4 -79.6 159.5 91.9 27.9 58.7 508 663 A I E -U 488 0L 60 -20,-2.7 -20,-2.5 -2,-0.2 2,-0.5 -0.910 35.8-158.9 -93.3 111.8 94.1 26.4 56.0 509 664 A I E -U 487 0L 57 -2,-0.7 -22,-0.2 -22,-0.2 71,-0.1 -0.809 14.2-136.1 -97.6 125.4 93.1 22.8 55.9 510 665 A I - 0 0 1 -24,-2.1 2,-2.3 -2,-0.5 -24,-0.4 -0.714 21.2-136.1 -75.0 117.0 95.4 20.2 54.5 511 666 A P + 0 0 42 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.454 68.0 109.6 -81.2 72.3 93.1 18.0 52.4 512 667 A L - 0 0 10 -2,-2.3 2,-0.5 -26,-0.2 -26,-0.5 -0.919 65.2-136.5-145.1 109.9 94.5 14.6 53.6 513 668 A R - 0 0 51 -2,-0.3 -28,-0.2 -28,-0.1 -29,-0.1 -0.605 23.9-136.0 -72.6 122.9 92.4 12.4 55.8 514 669 A I - 0 0 0 -30,-2.8 -31,-3.8 -2,-0.5 78,-0.1 -0.579 21.9-111.6 -82.3 137.3 94.8 11.1 58.5 515 670 A P B -S 482 0K 0 0, 0.0 -33,-0.3 0, 0.0 -31,-0.2 -0.316 29.8-120.9 -67.0 155.5 94.4 7.4 59.4 516 671 A S >> - 0 0 16 -35,-1.9 4,-1.1 -33,-0.1 3,-0.7 -0.314 35.5 -90.3 -85.2 175.6 93.1 6.3 62.8 517 672 A E H 3> S+ 0 0 72 1,-0.2 4,-0.8 2,-0.2 3,-0.5 0.887 124.3 63.0 -53.1 -40.8 94.9 4.2 65.3 518 673 A L H >4 S+ 0 0 39 -38,-0.4 3,-1.0 1,-0.2 4,-0.4 0.882 98.0 55.0 -55.6 -41.9 93.4 1.1 63.7 519 674 A Y H X4 S+ 0 0 0 -3,-0.7 3,-1.9 1,-0.2 6,-0.4 0.900 101.2 57.5 -58.2 -42.6 95.2 1.7 60.4 520 675 A Y H 3< S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.692 103.2 54.7 -68.6 -15.5 98.6 1.8 62.0 521 676 A S T << S+ 0 0 34 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.523 90.6 100.5 -91.5 -5.0 98.1 -1.7 63.5 522 677 A T S <> S- 0 0 0 -3,-1.9 4,-2.5 -4,-0.4 3,-0.4 -0.399 84.1-111.5 -85.9 160.8 97.3 -3.2 60.0 523 678 A M H > S+ 0 0 3 -88,-1.6 4,-3.1 -91,-0.3 5,-0.2 0.875 114.4 56.5 -58.3 -40.7 99.7 -5.2 57.9 524 679 A E H >>S+ 0 0 0 -91,-2.6 4,-2.7 1,-0.2 5,-0.7 0.916 111.7 43.2 -59.9 -41.5 99.9 -2.6 55.1 525 680 A A H >>S+ 0 0 0 -6,-0.4 5,-2.5 -3,-0.4 4,-1.0 0.929 113.0 52.0 -66.8 -44.7 101.1 0.0 57.7 526 681 A K H <5S+ 0 0 38 -4,-2.5 6,-2.9 3,-0.2 7,-0.3 0.910 118.4 39.0 -58.0 -42.9 103.5 -2.5 59.4 527 682 A L H <5S+ 0 0 0 -4,-3.1 4,-0.4 4,-0.2 -2,-0.2 0.986 129.5 21.6 -70.2 -63.3 105.0 -3.3 56.0 528 683 A H H <5S+ 0 0 0 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.913 130.9 35.6 -82.8 -41.8 105.2 0.0 54.1 529 684 A L T < S+ 0 0 1 -6,-2.9 3,-2.2 1,-0.3 -1,-0.3 0.382 90.5 158.7 92.1 -3.4 108.4 -4.3 58.4 533 688 A S T < + 0 0 2 -3,-1.9 -1,-0.3 -7,-0.3 123,-0.1 -0.245 65.2 23.3 -57.0 137.6 109.5 -3.4 62.0 534 689 A G T 3 S+ 0 0 31 121,-1.0 2,-0.3 1,-0.3 -1,-0.3 0.192 92.7 123.3 94.2 -18.4 107.8 -5.7 64.5 535 690 A L < - 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