==== 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 SUGAR BINDING PROTEIN 10-JAN-06 2FNC . COMPND 2 MOLECULE: MALTOSE ABC TRANSPORTER, PERIPLASMIC MALTOSE-BIND . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR M.J.CUNEO,A.CHANGELA . 379 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16093.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 18 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 3 1 0 1 3 2 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 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 . 3 2 0 2 3 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 6 A K 0 0 132 0, 0.0 2,-0.5 0, 0.0 28,-0.2 0.000 360.0 360.0 360.0 122.4 -16.0 -14.0 5.6 2 7 A L E -a 29 0A 0 26,-2.6 28,-2.8 16,-0.1 2,-0.4 -0.741 360.0-159.7 -88.1 123.6 -12.7 -12.9 7.1 3 8 A T E -a 30 0A 31 -2,-0.5 52,-2.0 26,-0.2 51,-0.7 -0.850 7.5-171.2-108.5 139.3 -13.0 -10.8 10.3 4 9 A I E -ab 31 55A 0 26,-2.2 28,-3.4 -2,-0.4 2,-0.5 -0.991 11.1-156.1-131.0 133.7 -10.4 -8.5 11.7 5 10 A W E +ab 32 56A 24 50,-2.4 52,-2.1 -2,-0.4 2,-0.3 -0.947 31.2 146.4-103.6 131.9 -10.2 -6.6 15.0 6 11 A C E -a 33 0A 0 26,-1.6 28,-2.6 -2,-0.5 52,-0.1 -0.969 45.8 -90.9-152.7 167.4 -8.0 -3.5 15.1 7 12 A S >> - 0 0 6 -2,-0.3 3,-1.0 26,-0.2 4,-0.8 -0.190 50.1 -95.7 -70.0 170.9 -7.6 -0.1 16.7 8 13 A E H 3> S+ 0 0 93 1,-0.2 4,-0.5 2,-0.2 3,-0.2 0.741 118.5 68.9 -59.1 -25.2 -8.9 3.1 15.1 9 14 A K H 34 S+ 0 0 48 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.829 108.8 31.9 -68.5 -30.8 -5.5 3.7 13.5 10 15 A Q H <> S+ 0 0 6 -3,-1.0 4,-2.4 1,-0.1 5,-0.3 0.488 92.1 94.2-102.4 -8.0 -5.7 0.8 11.1 11 16 A V H X S+ 0 0 28 -4,-0.8 4,-2.4 -3,-0.2 5,-0.2 0.923 85.6 46.2 -56.6 -50.5 -9.4 0.5 10.3 12 17 A D H X S+ 0 0 121 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.935 117.1 41.3 -62.2 -48.1 -9.5 2.6 7.2 13 18 A I H > S+ 0 0 20 -4,-0.3 4,-2.8 1,-0.2 5,-0.2 0.890 115.3 50.0 -69.7 -38.4 -6.5 1.1 5.4 14 19 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.873 110.1 50.7 -70.1 -33.4 -7.4 -2.5 6.4 15 20 A Q H X S+ 0 0 51 -4,-2.4 4,-1.6 -5,-0.3 -2,-0.2 0.930 112.8 48.1 -66.4 -40.3 -11.0 -2.1 5.2 16 21 A K H X S+ 0 0 137 -4,-2.1 4,-1.7 -5,-0.2 3,-0.3 0.935 113.7 44.5 -61.1 -49.4 -9.6 -0.7 1.9 17 22 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.855 108.0 61.4 -63.4 -33.9 -7.1 -3.6 1.6 18 23 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.880 103.7 48.2 -58.3 -39.2 -9.9 -5.9 2.5 19 24 A E H X S+ 0 0 88 -4,-1.6 4,-2.3 -3,-0.3 -2,-0.2 0.895 110.4 51.6 -73.7 -35.0 -11.8 -4.8 -0.6 20 25 A E H X S+ 0 0 65 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.908 110.4 49.6 -58.1 -45.5 -8.7 -5.4 -2.7 21 26 A F H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 6,-0.5 0.911 110.2 49.9 -62.9 -42.1 -8.5 -8.9 -1.2 22 27 A K H X S+ 0 0 96 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.904 109.8 51.7 -63.6 -41.3 -12.2 -9.5 -2.0 23 28 A A H < S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.885 118.8 36.1 -60.0 -40.1 -11.6 -8.4 -5.6 24 29 A K H < S+ 0 0 173 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.732 134.1 20.9 -89.7 -25.6 -8.6 -10.7 -6.0 25 30 A Y H < S- 0 0 93 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.470 94.6-122.0-121.1 -9.2 -9.7 -13.8 -4.0 26 31 A G S < S+ 0 0 57 -4,-2.0 -4,-0.2 -5,-0.4 -3,-0.1 0.663 70.2 125.7 74.1 18.9 -13.5 -13.5 -3.8 27 32 A I - 0 0 49 -6,-0.5 -1,-0.2 -9,-0.1 -2,-0.1 -0.942 58.1-130.3-116.7 117.7 -13.5 -13.5 0.0 28 33 A P - 0 0 44 0, 0.0 -26,-2.6 0, 0.0 2,-0.4 -0.376 18.5-154.0 -69.2 142.5 -15.2 -10.6 1.9 29 34 A V E -a 2 0A 8 -28,-0.2 2,-0.5 -11,-0.1 -26,-0.2 -0.962 6.8-167.0-120.0 130.9 -13.3 -8.9 4.7 30 35 A E E -a 3 0A 82 -28,-2.8 -26,-2.2 -2,-0.4 2,-0.5 -0.952 4.9-162.8-123.6 110.2 -14.9 -7.2 7.6 31 36 A V E -a 4 0A 13 -2,-0.5 2,-0.5 -28,-0.2 -26,-0.2 -0.823 7.0-164.2 -95.5 126.7 -12.8 -5.0 9.7 32 37 A Q E -a 5 0A 98 -28,-3.4 -26,-1.6 -2,-0.5 2,-0.2 -0.937 17.9-126.6-117.1 120.0 -14.1 -4.0 13.1 33 38 A Y E +a 6 0A 105 -2,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.417 30.2 176.1 -55.4 127.3 -12.9 -1.2 15.3 34 39 A V - 0 0 12 -28,-2.6 5,-0.1 -2,-0.2 -26,-0.1 -0.994 40.1-107.0-131.6 130.9 -11.9 -2.3 18.8 35 40 A D >> - 0 0 79 -2,-0.4 3,-2.3 -28,-0.1 4,-0.6 -0.319 32.8-124.6 -53.0 134.1 -10.4 0.1 21.3 36 41 A F H >> S+ 0 0 83 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.899 109.2 57.9 -55.3 -43.0 -6.7 -0.9 21.6 37 42 A G H 34 S+ 0 0 61 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.535 111.2 44.6 -64.8 -7.1 -6.9 -1.3 25.3 38 43 A S H <> S+ 0 0 50 -3,-2.3 4,-2.5 2,-0.1 5,-0.3 0.355 86.6 89.2-111.7 -4.4 -9.7 -3.9 24.9 39 44 A I H S+ 0 0 67 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.908 114.1 47.6 -64.8 -46.1 -9.2 -8.8 26.9 42 47 A K H X S+ 0 0 92 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.864 113.1 49.4 -57.5 -41.3 -12.0 -9.1 24.4 43 48 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.3 -2,-0.2 0.890 106.4 55.6 -69.8 -36.6 -10.1 -11.8 22.5 44 49 A L H < S+ 0 0 33 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.877 116.7 36.1 -64.9 -38.1 -9.4 -13.8 25.7 45 50 A T H < S+ 0 0 93 -4,-1.7 4,-0.3 -5,-0.2 -2,-0.2 0.881 124.9 40.2 -81.7 -34.6 -13.1 -14.0 26.5 46 51 A A H ><>S+ 0 0 10 -4,-2.4 5,-2.1 -5,-0.2 3,-1.1 0.880 102.8 62.1 -83.5 -43.5 -14.4 -14.3 23.0 47 52 A A G ><5S+ 0 0 0 -4,-2.8 3,-1.7 4,-0.3 5,-0.3 0.895 100.1 52.9 -62.2 -41.0 -11.9 -16.6 21.2 48 53 A P G 3 5S+ 0 0 59 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.749 108.3 54.1 -63.6 -21.7 -12.5 -19.8 23.4 49 54 A Q G < 5S- 0 0 140 -3,-1.1 -2,-0.2 -4,-0.3 -3,-0.1 0.336 119.9-108.2 -88.5 0.9 -16.3 -19.4 22.7 50 55 A G T < 5S+ 0 0 58 -3,-1.7 -3,-0.2 -4,-0.3 -4,-0.1 0.697 98.0 104.1 74.9 21.4 -15.9 -19.3 18.9 51 56 A Q < + 0 0 138 -5,-2.1 -4,-0.3 -8,-0.1 2,-0.2 0.207 46.9 111.9-118.0 9.0 -16.7 -15.6 18.9 52 57 A G S S- 0 0 13 -6,-0.5 -49,-0.1 -5,-0.3 -9,-0.1 -0.507 75.4 -99.1 -80.2 153.2 -13.2 -14.2 18.4 53 58 A A - 0 0 2 -2,-0.2 -49,-0.2 1,-0.1 -1,-0.1 -0.283 26.7-122.3 -63.2 158.7 -12.1 -12.4 15.2 54 59 A D S S+ 0 0 9 -51,-0.7 212,-2.8 1,-0.2 2,-0.4 0.855 98.1 23.8 -68.9 -38.1 -10.2 -14.5 12.6 55 60 A I E -bC 4 265A 0 -52,-2.0 -50,-2.4 210,-0.2 2,-0.4 -0.992 69.0-165.6-130.4 137.4 -7.3 -12.0 12.8 56 61 A I E -bC 5 264A 0 208,-2.4 208,-2.8 -2,-0.4 2,-0.5 -0.949 10.3-147.4-118.7 147.9 -6.3 -9.5 15.5 57 62 A V E + C 0 263A 1 -52,-2.1 2,-0.3 -2,-0.4 206,-0.2 -0.951 44.7 94.6-113.1 124.8 -3.9 -6.5 15.1 58 63 A G E - C 0 262A 0 204,-2.6 204,-2.7 -2,-0.5 2,-0.2 -0.952 61.7 -26.5-177.9-158.2 -1.8 -5.5 18.0 59 64 A A E > - C 0 261A 3 -2,-0.3 3,-1.4 202,-0.2 202,-0.2 -0.430 41.9-129.0 -86.5 148.0 1.3 -5.4 20.1 60 65 A H G > S+ 0 0 2 200,-2.0 3,-1.9 1,-0.3 4,-0.3 0.687 97.4 78.6 -71.4 -18.5 3.9 -8.2 20.3 61 66 A D G 3 S+ 0 0 18 1,-0.3 4,-0.4 199,-0.2 3,-0.4 0.764 87.4 62.5 -62.0 -24.1 3.9 -8.3 24.1 62 67 A W G <> S+ 0 0 14 -3,-1.4 4,-2.3 1,-0.2 -1,-0.3 0.614 79.8 89.4 -68.8 -16.1 0.7 -10.3 23.9 63 68 A V H <> S+ 0 0 0 -3,-1.9 4,-2.9 1,-0.2 5,-0.2 0.880 84.0 46.0 -58.8 -50.6 2.3 -13.2 22.0 64 69 A G H > S+ 0 0 0 266,-1.9 4,-2.7 -3,-0.4 5,-0.3 0.943 114.9 46.9 -60.0 -47.9 3.4 -15.5 24.9 65 70 A E H > S+ 0 0 10 -4,-0.4 4,-0.9 266,-0.3 -1,-0.2 0.916 116.7 43.9 -62.5 -45.9 0.2 -15.2 26.8 66 71 A L H <>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 6,-0.7 0.887 115.0 49.0 -68.3 -37.4 -1.9 -15.9 23.7 67 72 A A H ><5S+ 0 0 12 -4,-2.9 3,-1.8 -5,-0.2 -2,-0.2 0.915 108.3 50.5 -68.1 -45.6 0.4 -18.7 22.5 68 73 A V H 3<5S+ 0 0 57 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.683 110.1 53.5 -72.0 -16.1 0.6 -20.7 25.8 69 74 A N T 3<5S- 0 0 28 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.380 114.1-119.2 -92.5 1.1 -3.2 -20.5 25.9 70 75 A G T < 5S+ 0 0 34 -3,-1.8 -3,-0.2 2,-0.1 -2,-0.1 0.749 78.4 121.3 68.7 28.9 -3.6 -22.0 22.4 71 76 A L < + 0 0 8 -5,-2.5 196,-1.8 -6,-0.1 197,-0.5 0.645 60.4 51.9-103.4 -17.9 -5.4 -18.9 21.1 72 77 A I B S-F 266 0B 5 -6,-0.7 194,-0.2 194,-0.3 -2,-0.1 -0.947 79.3-122.3-124.1 150.8 -3.1 -17.8 18.2 73 78 A E - 0 0 54 192,-2.5 192,-0.4 -2,-0.4 -6,-0.0 -0.667 23.4-114.6 -92.9 133.6 -1.8 -19.9 15.3 74 79 A P - 0 0 47 0, 0.0 25,-0.2 0, 0.0 -1,-0.1 -0.337 28.9-129.5 -58.7 142.7 1.9 -20.4 14.4 75 80 A I - 0 0 8 23,-3.3 23,-0.4 25,-0.1 25,-0.1 -0.884 20.9-135.4-100.8 115.1 2.9 -18.8 11.1 76 81 A P - 0 0 82 0, 0.0 21,-0.0 0, 0.0 23,-0.0 -0.347 38.0 -80.9 -67.1 152.4 4.7 -21.3 8.8 77 82 A N - 0 0 139 2,-0.0 2,-0.3 3,-0.0 3,-0.0 -0.162 57.9-177.2 -47.4 139.4 7.8 -20.1 7.0 78 83 A F > - 0 0 26 -3,-0.1 3,-1.7 1,-0.1 4,-0.3 -0.963 37.8-101.2-145.4 164.5 6.9 -18.2 3.8 79 84 A S G > S+ 0 0 104 -2,-0.3 3,-0.9 1,-0.3 4,-0.1 0.836 114.8 48.9 -56.3 -47.9 8.7 -16.5 1.0 80 85 A D G > S+ 0 0 39 200,-0.3 3,-2.2 1,-0.2 -1,-0.3 0.545 83.1 93.2 -73.6 -6.0 8.6 -12.9 2.1 81 86 A L G X S+ 0 0 39 -3,-1.7 3,-1.8 1,-0.3 -1,-0.2 0.848 76.4 64.4 -58.7 -34.3 9.8 -13.6 5.6 82 87 A K G < S+ 0 0 177 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.1 0.646 94.2 63.3 -62.0 -17.4 13.4 -12.9 4.6 83 88 A N G < S+ 0 0 44 -3,-2.2 220,-2.2 -4,-0.1 221,-0.5 0.441 87.1 87.2 -88.7 -2.9 12.3 -9.3 3.9 84 89 A F B < S-G 302 0C 9 -3,-1.8 218,-0.2 218,-0.2 217,-0.1 -0.778 86.7-101.1-101.5 143.7 11.4 -8.4 7.5 85 90 A Y > - 0 0 67 216,-2.4 4,-2.3 -2,-0.3 3,-0.5 -0.303 24.8-129.8 -58.7 133.8 13.8 -7.1 10.2 86 91 A D H > S+ 0 0 108 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.864 108.9 57.5 -49.3 -41.1 15.0 -9.8 12.7 87 92 A T H > S+ 0 0 87 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.897 109.5 46.2 -59.6 -38.2 14.0 -7.5 15.6 88 93 A A H > S+ 0 0 0 -3,-0.5 4,-1.1 2,-0.2 -2,-0.2 0.906 115.4 44.4 -72.6 -43.3 10.4 -7.5 14.3 89 94 A L H < S+ 0 0 17 -4,-2.3 3,-0.3 2,-0.2 10,-0.2 0.907 112.8 52.2 -66.9 -41.0 10.3 -11.2 13.6 90 95 A K H >< S+ 0 0 146 -4,-3.3 3,-1.5 1,-0.2 -2,-0.2 0.894 104.2 57.2 -62.4 -39.3 11.9 -12.0 17.0 91 96 A A H 3< S+ 0 0 10 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.851 111.4 42.5 -58.4 -36.0 9.3 -9.8 18.8 92 97 A F T 3< S+ 0 0 0 -4,-1.1 7,-3.5 -3,-0.3 2,-0.4 0.205 100.3 93.6 -95.8 11.1 6.5 -12.0 17.3 93 98 A S E < +H 98 0D 37 -3,-1.5 2,-0.4 5,-0.3 5,-0.2 -0.881 49.0 178.0-108.8 140.0 8.3 -15.2 18.0 94 99 A Y E > -H 97 0D 62 3,-2.5 3,-1.4 -2,-0.4 -3,-0.0 -0.989 67.3 -8.3-145.5 129.8 7.9 -17.3 21.1 95 100 A G T 3 S- 0 0 70 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.839 131.0 -50.1 51.3 40.6 9.5 -20.6 22.1 96 101 A G T 3 S+ 0 0 85 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.456 117.7 100.3 84.6 3.2 11.0 -21.0 18.6 97 102 A K E < S-H 94 0D 114 -3,-1.4 -3,-2.5 -21,-0.0 2,-0.4 -0.926 71.0-121.5-123.6 144.9 7.9 -20.3 16.5 98 103 A L E -H 93 0D 21 -23,-0.4 -23,-3.3 -2,-0.3 -5,-0.3 -0.738 25.4-177.8 -81.6 130.8 6.6 -17.2 14.7 99 104 A Y + 0 0 25 -7,-3.5 166,-0.3 -2,-0.4 2,-0.3 0.265 58.7 11.2-119.8 13.0 3.2 -16.1 15.9 100 105 A G - 0 0 0 -8,-0.3 164,-0.2 164,-0.1 -1,-0.1 -0.980 67.6-108.9-171.2 170.2 2.4 -13.1 13.7 101 106 A V E -D 263 0A 1 162,-2.1 162,-2.5 -2,-0.3 2,-0.2 -0.958 40.4-143.4-105.2 113.0 3.3 -11.1 10.7 102 107 A P E +D 262 0A 1 0, 0.0 160,-0.3 0, 0.0 3,-0.1 -0.531 23.4 178.4 -76.0 147.3 4.7 -7.7 11.9 103 108 A Y E + 0 0 7 158,-3.0 198,-1.8 1,-0.3 199,-0.4 0.578 62.9 8.3-113.9 -21.5 3.9 -4.5 10.0 104 109 A A E -DE 261 300A 1 157,-1.7 157,-2.5 196,-0.3 -1,-0.3 -0.999 50.7-141.1-158.7 155.6 5.7 -1.9 12.1 105 110 A M E +DE 260 299A 28 194,-2.9 194,-1.6 -2,-0.3 2,-0.3 -0.826 29.3 174.8-113.9 157.3 8.1 -1.1 14.9 106 111 A E E +D 259 0A 8 153,-2.3 153,-2.9 -2,-0.3 2,-0.3 -0.998 18.5 178.5-159.1 156.8 7.6 1.8 17.3 107 112 A A - 0 0 1 -2,-0.3 120,-0.5 151,-0.2 215,-0.2 -0.953 36.0-103.3-154.9 153.5 8.8 3.7 20.4 108 113 A V + 0 0 2 149,-0.5 2,-0.3 -2,-0.3 118,-0.2 -0.338 40.5 173.7 -70.4 160.9 7.7 6.8 22.2 109 114 A A E -I 225 0E 0 116,-1.8 116,-1.8 135,-0.1 2,-0.6 -0.911 42.5 -79.6-153.7 169.6 9.6 10.1 21.9 110 115 A L E -IJ 224 243E 0 133,-2.4 133,-2.4 -2,-0.3 2,-0.4 -0.769 45.5-168.6 -74.6 122.2 9.3 13.8 22.9 111 116 A I E -IJ 223 242E 0 112,-2.1 112,-2.2 -2,-0.6 2,-0.3 -0.968 10.1-170.3-114.8 130.7 6.9 15.4 20.5 112 117 A Y E -IJ 222 241E 29 129,-2.7 129,-2.5 -2,-0.4 2,-0.7 -0.945 27.5-126.0-133.1 150.7 6.8 19.2 20.7 113 118 A N E >> - 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0 0 9 -3,-1.8 3,-0.8 -215,-0.2 -216,-0.1 -0.446 60.7-148.4 -73.8 141.2 -11.0 -19.8 13.7 270 275 A P T 3 S+ 0 0 122 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.539 98.8 60.1 -78.1 -4.5 -12.7 -21.9 11.1 271 276 A N T 3> + 0 0 48 1,-0.2 4,-2.2 -5,-0.1 5,-0.2 -0.035 63.5 122.4-110.2 26.6 -11.1 -19.5 8.5 272 277 A K H <> S+ 0 0 57 -3,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.816 71.0 54.2 -61.0 -33.5 -7.4 -20.1 9.4 273 278 A V H > S+ 0 0 127 -3,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.913 113.0 40.7 -72.9 -40.6 -6.5 -21.1 5.8 274 279 A I H > S+ 0 0 31 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.846 113.8 55.1 -72.4 -31.2 -7.8 -18.1 4.1 275 280 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.879 106.4 52.7 -66.6 -35.2 -6.5 -15.9 7.0 276 281 A M H X S+ 0 0 35 -4,-2.0 4,-2.6 2,-0.2 5,-0.4 0.875 109.4 47.3 -66.4 -38.8 -3.0 -17.5 6.3 277 282 A E H X>S+ 0 0 64 -4,-1.5 4,-2.2 2,-0.2 5,-0.7 0.941 111.0 53.4 -66.3 -46.8 -3.3 -16.5 2.6 278 283 A F H X>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 4,-0.7 0.925 117.1 36.3 -51.7 -50.2 -4.3 -13.0 3.7 279 284 A L H <>S+ 0 0 0 -4,-2.4 5,-1.4 3,-0.2 -2,-0.2 0.942 126.8 32.2 -74.7 -45.5 -1.3 -12.5 6.0 280 285 A T H <5S+ 0 0 13 -4,-2.6 -200,-0.3 -5,-0.2 -3,-0.2 0.831 128.4 31.0 -88.3 -30.8 1.5 -14.3 4.1 281 286 A N H <5S+ 0 0 74 -4,-2.2 -3,-0.2 -5,-0.4 -1,-0.2 0.527 133.0 19.3-107.3 -6.2 0.6 -13.8 0.4 282 287 A F T >< S- 0 0 84 -3,-1.0 4,-2.8 1,-0.1 5,-0.3 -0.298 76.3-121.1 -65.7 143.6 3.9 -7.8 0.2 286 291 A K H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.905 112.1 49.8 -48.3 -48.7 6.1 -4.8 -0.3 287 292 A E H > S+ 0 0 122 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.890 114.3 44.3 -60.2 -43.4 3.3 -2.8 -2.1 288 293 A T H > S+ 0 0 0 -6,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.894 111.1 52.7 -70.6 -43.9 0.7 -3.5 0.6 289 294 A M H X S+ 0 0 6 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.886 108.7 52.3 -61.3 -36.7 3.2 -2.8 3.5 290 295 A Y H X S+ 0 0 84 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.931 107.4 50.3 -65.5 -40.9 3.9 0.6 1.8 291 296 A K H X S+ 0 0 52 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.895 109.6 52.7 -64.1 -38.0 0.1 1.4 1.6 292 297 A I H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.928 107.9 51.3 -61.4 -46.9 -0.1 0.5 5.3 293 298 A Y H < S+ 0 0 19 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.942 107.1 52.0 -55.3 -48.9 2.7 2.9 6.1 294 299 A L H < S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.885 117.7 39.2 -58.6 -35.9 1.2 5.8 4.3 295 300 A A H < S+ 0 0 28 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.779 135.7 19.3 -81.3 -27.6 -2.1 5.3 6.3 296 301 A D S < S- 0 0 6 -4,-2.4 2,-2.5 -5,-0.1 -1,-0.3 -0.717 80.8-157.7-147.9 77.2 -0.4 4.5 9.6 297 302 A P + 0 0 24 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.128 37.5 138.6 -71.5 51.5 3.2 5.8 9.4 298 303 A R S S- 0 0 10 -2,-2.5 -192,-0.2 1,-0.1 -2,-0.1 -0.318 71.9 -69.2 -84.1 173.3 5.0 3.8 12.0 299 304 A L E -E 105 0A 13 -194,-1.6 -194,-2.9 1,-0.1 -1,-0.1 -0.451 61.7-116.8 -69.6 115.8 8.5 2.4 11.3 300 305 A P E -E 104 0A 7 0, 0.0 -196,-0.3 0, 0.0 -1,-0.1 -0.268 13.9-152.2 -58.6 145.5 8.1 -0.3 8.7 301 306 A A S S+ 0 0 0 -198,-1.8 -216,-2.4 -40,-0.1 2,-0.6 0.585 79.0 82.6 -89.9 -16.5 9.0 -3.8 9.6 302 307 A R B >> S-G 84 0C 9 -199,-0.4 4,-2.6 -218,-0.2 3,-0.8 -0.836 75.6-146.1 -86.3 124.7 9.8 -4.7 6.0 303 308 A K H 3> S+ 0 0 106 -220,-2.2 4,-2.2 -2,-0.6 -1,-0.1 0.896 96.5 53.5 -58.7 -42.5 13.3 -3.5 5.2 304 309 A D H 34 S+ 0 0 34 -221,-0.5 4,-0.5 1,-0.2 -1,-0.2 0.694 111.5 46.4 -72.5 -16.9 12.6 -2.6 1.6 305 310 A V H X> S+ 0 0 0 -3,-0.8 4,-0.9 2,-0.2 3,-0.7 0.836 108.2 53.7 -87.0 -40.0 9.6 -0.5 2.7 306 311 A L H >X S+ 0 0 30 -4,-2.6 3,-1.0 1,-0.2 4,-0.7 0.914 102.6 62.3 -57.7 -37.2 11.6 1.3 5.4 307 312 A E H >< S+ 0 0 91 -4,-2.2 3,-0.6 1,-0.3 -1,-0.2 0.846 98.3 55.1 -54.2 -39.0 14.1 2.0 2.6 308 313 A L H <4 S+ 0 0 83 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.807 120.7 28.8 -64.4 -31.3 11.5 4.1 0.8 309 314 A V H X< S+ 0 0 14 -3,-1.0 3,-1.7 -4,-0.9 6,-0.2 0.223 81.1 114.5-118.6 13.7 10.8 6.3 3.7 310 315 A K T << S+ 0 0 114 -4,-0.7 -1,-0.1 -3,-0.6 -3,-0.1 0.641 76.2 56.2 -67.7 -18.4 14.2 6.4 5.6 311 316 A D T 3 S+ 0 0 119 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.551 75.7 115.6 -86.2 -15.0 14.8 10.1 4.9 312 317 A N <> - 0 0 52 -3,-1.7 4,-2.7 1,-0.2 5,-0.2 -0.406 68.9-135.7 -58.0 128.5 11.5 11.2 6.5 313 318 A P H > S+ 0 0 95 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.788 103.1 51.9 -63.8 -26.5 12.4 13.3 9.6 314 319 A D H > S+ 0 0 21 2,-0.2 4,-3.1 3,-0.2 5,-0.3 0.931 110.0 48.4 -70.4 -44.3 9.8 11.6 11.8 315 320 A V H > S+ 0 0 3 -6,-0.2 4,-2.4 1,-0.2 5,-0.2 0.941 114.1 48.8 -58.1 -45.6 11.2 8.1 10.9 316 321 A V H X S+ 0 0 82 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.932 114.5 43.4 -57.7 -50.2 14.7 9.5 11.6 317 322 A A H X S+ 0 0 13 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.891 116.8 45.5 -68.2 -42.5 13.7 11.0 15.0 318 323 A F H X S+ 0 0 0 -4,-3.1 4,-3.1 2,-0.2 -1,-0.2 0.862 109.2 56.0 -70.1 -34.4 11.7 7.9 16.1 319 324 A T H X S+ 0 0 66 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.915 108.7 48.7 -61.9 -43.9 14.4 5.5 14.9 320 325 A Q H X S+ 0 0 101 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.905 111.8 48.4 -62.8 -41.8 16.9 7.4 17.2 321 326 A S H >< S+ 0 0 2 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.946 114.3 46.1 -62.9 -46.5 14.4 7.2 20.1 322 327 A A H >< S+ 0 0 17 -4,-3.1 3,-2.3 1,-0.2 -2,-0.2 0.843 101.2 68.0 -64.9 -32.6 13.9 3.5 19.5 323 328 A S H 3< S+ 0 0 79 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.776 103.6 44.4 -58.8 -30.4 17.7 2.9 19.1 324 329 A M T << S+ 0 0 63 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.276 106.8 82.8 -92.5 3.1 18.1 3.7 22.8 325 330 A G < - 0 0 19 -3,-2.3 -68,-0.2 -70,-0.2 -3,-0.1 -0.265 69.0-126.9-104.5-173.2 15.2 1.5 23.9 326 331 A T E -o 257 0I 29 -70,-2.4 -68,-2.2 -71,-0.1 -2,-0.1 -0.998 28.0-104.2-140.8 136.6 14.4 -2.1 24.6 327 332 A P E -o 258 0I 79 0, 0.0 -68,-0.2 0, 0.0 3,-0.1 -0.285 40.6-109.5 -58.1 138.6 11.8 -4.5 23.2 328 333 A M - 0 0 9 -70,-2.3 -68,-0.1 1,-0.1 6,-0.0 -0.409 40.1-103.0 -56.6 140.8 8.9 -5.3 25.5 329 334 A P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 -238,-0.0 -0.308 27.9-164.5 -54.5 148.5 9.0 -8.8 26.9 330 335 A N + 0 0 23 -237,-0.1 -266,-1.9 -268,-0.1 -265,-0.3 0.263 45.1 123.5-120.7 10.6 6.5 -11.2 25.2 331 336 A V S > S- 0 0 23 -267,-0.2 3,-2.0 -268,-0.1 -266,-0.3 -0.316 77.5-108.7 -72.0 156.3 6.6 -14.0 27.7 332 337 A P G > S+ 0 0 3 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.817 115.9 67.5 -53.0 -31.9 3.2 -15.1 29.2 333 338 A E G 3 S+ 0 0 36 1,-0.3 4,-0.2 2,-0.1 37,-0.1 0.465 79.0 76.8 -73.4 -3.9 4.4 -13.5 32.5 334 339 A M G X> S+ 0 0 2 -3,-2.0 3,-1.7 -273,-0.2 4,-0.7 0.776 74.7 88.1 -69.7 -24.6 4.3 -10.0 31.1 335 340 A A T <4 S+ 0 0 25 -3,-1.7 4,-0.4 -4,-0.3 3,-0.4 0.808 92.1 34.7 -45.0 -52.5 0.5 -10.3 31.5 336 341 A P T 3> S+ 0 0 7 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.528 98.4 84.6 -81.6 -6.0 0.2 -9.0 35.1 337 342 A V H <> S+ 0 0 0 -3,-1.7 4,-2.4 -4,-0.2 5,-0.3 0.865 83.9 54.0 -68.5 -39.5 3.0 -6.4 34.9 338 343 A W H X S+ 0 0 59 -4,-0.7 4,-2.4 -3,-0.4 -186,-0.4 0.931 110.6 43.7 -66.5 -47.7 1.1 -3.5 33.4 339 344 A S H > S+ 0 0 73 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.891 114.5 50.9 -65.7 -40.9 -1.7 -3.3 36.0 340 345 A A H X S+ 0 0 5 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.935 115.5 40.8 -60.5 -47.9 0.8 -3.8 38.9 341 346 A M H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.838 114.3 53.2 -73.2 -31.7 3.1 -1.0 37.7 342 347 A G H X S+ 0 0 14 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.941 109.6 48.2 -62.3 -49.6 0.1 1.2 36.8 343 348 A D H X S+ 0 0 101 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.903 112.5 50.4 -56.8 -41.7 -1.4 0.8 40.3 344 349 A A H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.893 109.3 48.7 -66.0 -43.7 2.1 1.6 41.8 345 350 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 -195,-0.3 5,-0.2 0.877 111.2 51.3 -65.2 -37.2 2.5 4.8 39.7 346 351 A S H X S+ 0 0 45 -4,-2.3 4,-1.6 -196,-0.3 -2,-0.2 0.950 110.7 47.7 -62.3 -50.1 -1.0 5.9 40.7 347 352 A I H <>S+ 0 0 37 -4,-2.5 5,-2.8 1,-0.2 6,-0.6 0.916 115.5 47.4 -51.8 -46.8 -0.2 5.4 44.4 348 353 A I H ><5S+ 0 0 2 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.898 110.8 46.7 -66.4 -49.7 3.1 7.3 43.9 349 354 A I H 3<5S+ 0 0 8 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.745 113.6 51.8 -68.4 -21.6 1.9 10.3 42.0 350 355 A N T 3<5S- 0 0 80 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.237 111.6-119.3 -96.0 11.0 -1.0 10.7 44.6 351 356 A G T < 5S+ 0 0 66 -3,-1.4 -3,-0.2 2,-0.1 -2,-0.1 0.799 72.3 133.1 55.7 35.1 1.4 10.6 47.6 352 357 A Q S - 0 0 46 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.328 40.5-113.2 -75.7 165.4 6.8 6.1 49.1 355 360 A V H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.988 117.3 47.8 -61.6 -59.7 8.5 5.3 45.8 356 361 A E H > S+ 0 0 67 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.820 115.8 46.1 -51.0 -38.6 10.5 2.4 47.2 357 362 A D H > S+ 0 0 99 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.862 111.0 49.6 -73.2 -41.1 7.4 1.0 49.0 358 363 A A H X S+ 0 0 1 -4,-2.2 4,-1.8 -3,-0.3 -2,-0.2 0.926 115.6 43.5 -68.0 -41.7 4.9 1.3 46.0 359 364 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.901 110.8 54.1 -69.3 -43.8 7.4 -0.5 43.6 360 365 A K H X S+ 0 0 114 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.2 0.940 110.5 48.4 -55.0 -45.6 8.3 -3.1 46.2 361 366 A E H X S+ 0 0 103 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.887 109.0 54.1 -58.0 -41.7 4.5 -3.8 46.4 362 367 A A H X S+ 0 0 4 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.943 110.1 45.3 -58.4 -49.9 4.3 -3.9 42.6 363 368 A V H X S+ 0 0 13 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.928 111.7 52.6 -63.2 -47.1 7.0 -6.6 42.3 364 369 A E H X S+ 0 0 136 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.918 111.4 47.6 -50.3 -45.5 5.5 -8.6 45.1 365 370 A K H X S+ 0 0 95 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.891 111.4 49.2 -69.3 -39.1 2.1 -8.5 43.3 366 371 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.967 112.3 48.5 -59.9 -53.5 3.7 -9.5 40.0 367 372 A K H X S+ 0 0 78 -4,-3.0 4,-3.2 1,-0.2 -2,-0.2 0.891 111.1 51.1 -53.7 -42.5 5.5 -12.4 41.6 368 373 A A H X S+ 0 0 44 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.897 111.0 47.6 -63.3 -41.3 2.2 -13.4 43.3 369 374 A Q H <>S+ 0 0 37 -4,-2.3 5,-2.7 2,-0.2 6,-0.3 0.889 114.2 47.0 -65.9 -41.9 0.4 -13.3 40.0 370 375 A I H ><5S+ 0 0 28 -4,-2.8 3,-1.6 3,-0.2 -2,-0.2 0.949 111.2 51.2 -62.6 -52.1 3.1 -15.3 38.3 371 376 A E H 3<5S+ 0 0 161 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.836 112.5 46.9 -52.0 -38.6 3.2 -17.9 41.1 372 377 A K T 3<5S- 0 0 150 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.378 113.9-116.0 -89.9 3.1 -0.6 -18.4 40.9 373 378 A G T X 5 + 0 0 16 -3,-1.6 3,-2.4 -4,-0.2 -3,-0.2 0.865 51.6 163.6 69.6 39.7 -0.6 -18.7 37.1 374 379 A S T 3