==== 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 PROTEIN 30-APR-02 1LLS . COMPND 2 MOLECULE: MALTOSE-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.M.RUBIN,S.-Y.LEE,E.J.RUIZ,A.PINES,D.E.WEMMER . 370 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 11.6 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 0.8 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 . 13 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.4 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 2 0 0 2 1 2 4 0 1 1 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 . 2 3 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 1 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 0 212 0, 0.0 55,-0.2 0, 0.0 269,-0.1 0.000 360.0 360.0 360.0 86.9 -1.4 -24.4 -23.4 2 2 A I - 0 0 14 267,-0.2 6,-0.1 53,-0.1 53,-0.1 -0.141 360.0-114.4-113.2 36.2 -1.2 -20.7 -22.8 3 3 A E > - 0 0 100 1,-0.1 3,-0.7 2,-0.1 2,-0.2 0.849 32.1-147.0 32.6 88.4 -2.5 -19.7 -26.3 4 4 A E T 3 S+ 0 0 147 1,-0.2 -1,-0.1 3,-0.1 3,-0.1 -0.579 77.9 51.2 -81.8 146.4 0.5 -18.1 -28.0 5 5 A G T 3 S+ 0 0 48 1,-0.4 29,-0.5 -2,-0.2 2,-0.3 0.463 108.9 50.5 106.7 4.1 -0.3 -15.3 -30.4 6 6 A K S < S- 0 0 42 -3,-0.7 -1,-0.4 27,-0.1 2,-0.4 -0.919 77.4-116.2-155.7 177.7 -2.5 -13.4 -28.0 7 7 A L E -a 35 0A 0 27,-2.0 29,-3.1 -2,-0.3 2,-0.5 -0.993 15.9-167.5-129.4 132.1 -2.5 -12.0 -24.5 8 8 A V E -a 36 0A 15 -2,-0.4 50,-1.9 27,-0.2 51,-1.9 -0.982 14.7-167.3-117.0 128.1 -4.8 -13.1 -21.6 9 9 A I E -ab 37 59A 0 27,-2.9 29,-3.1 -2,-0.5 2,-0.4 -0.948 10.7-156.7-121.3 138.3 -4.7 -10.8 -18.6 10 10 A W E +ab 38 60A 25 49,-2.6 51,-2.2 -2,-0.4 2,-0.3 -0.945 22.9 158.2-112.8 131.9 -6.1 -11.3 -15.1 11 11 A I - 0 0 6 27,-1.9 51,-0.1 -2,-0.4 32,-0.0 -0.974 44.8 -90.0-148.7 148.8 -6.9 -8.3 -12.9 12 12 A N > - 0 0 42 49,-0.4 3,-1.9 -2,-0.3 5,-0.3 -0.215 32.9-116.9 -65.1 151.2 -9.3 -8.0 -9.9 13 13 A G T 3 S+ 0 0 34 1,-0.3 -1,-0.1 27,-0.2 4,-0.1 0.611 110.4 62.0 -62.6 -14.2 -12.9 -7.1 -10.4 14 14 A D T 3 S+ 0 0 100 2,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.364 92.1 82.4 -93.9 4.6 -12.5 -3.8 -8.4 15 15 A K S < S- 0 0 62 -3,-1.9 2,-2.1 1,-0.0 3,-0.3 -0.534 100.1 -88.7-100.9 172.2 -10.0 -2.4 -10.9 16 16 A G > + 0 0 1 281,-0.4 4,-2.5 1,-0.2 3,-0.3 -0.346 61.7 153.0 -80.0 61.4 -10.7 -0.6 -14.2 17 17 A Y H > S+ 0 0 54 -2,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.796 70.3 56.0 -63.1 -27.9 -10.7 -3.7 -16.3 18 18 A N H > S+ 0 0 85 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.906 110.2 46.3 -69.0 -39.5 -13.0 -2.2 -18.9 19 19 A G H > S+ 0 0 4 -3,-0.3 4,-1.4 274,-0.2 -2,-0.2 0.898 110.6 52.3 -68.0 -39.2 -10.4 0.6 -19.3 20 20 A L H X S+ 0 0 2 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.891 105.7 55.4 -63.6 -37.2 -7.6 -2.0 -19.4 21 21 A A H X S+ 0 0 38 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.854 102.1 57.6 -62.6 -33.4 -9.5 -3.7 -22.2 22 22 A E H X S+ 0 0 123 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.869 104.8 50.0 -65.3 -36.7 -9.6 -0.4 -24.1 23 23 A V H X S+ 0 0 8 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.901 109.0 53.4 -67.1 -36.7 -5.8 -0.4 -24.0 24 24 A G H X S+ 0 0 1 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.829 104.5 54.4 -65.0 -34.1 -5.9 -3.9 -25.3 25 25 A K H X S+ 0 0 87 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.874 108.1 49.7 -67.9 -36.4 -8.1 -2.9 -28.2 26 26 A K H X S+ 0 0 100 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.890 108.4 52.6 -67.9 -39.2 -5.5 -0.2 -29.2 27 27 A F H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 6,-0.5 0.911 110.2 49.5 -62.6 -41.7 -2.8 -2.8 -29.0 28 28 A E H X S+ 0 0 64 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.884 106.9 53.6 -66.7 -38.9 -4.8 -5.0 -31.4 29 29 A K H < S+ 0 0 123 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.937 116.3 40.6 -58.9 -45.9 -5.4 -2.2 -33.9 30 30 A D H < S+ 0 0 84 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.875 134.8 15.5 -68.6 -45.3 -1.7 -1.6 -34.1 31 31 A T H < S- 0 0 58 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.602 91.7-121.5-110.0 -19.0 -0.4 -5.2 -34.0 32 32 A G < + 0 0 57 -4,-2.6 2,-0.5 -5,-0.4 -4,-0.2 0.428 69.5 133.5 88.2 -0.8 -3.4 -7.3 -34.8 33 33 A I - 0 0 33 -6,-0.5 -1,-0.3 -27,-0.0 2,-0.2 -0.735 52.6-133.8 -90.4 125.1 -2.8 -9.1 -31.6 34 34 A K - 0 0 121 -2,-0.5 -27,-2.0 -29,-0.5 2,-0.5 -0.515 14.3-159.8 -79.3 143.9 -5.9 -9.7 -29.4 35 35 A V E -a 7 0A 19 -2,-0.2 2,-0.6 -29,-0.2 -27,-0.2 -0.985 3.1-164.3-126.8 119.2 -5.9 -9.0 -25.7 36 36 A T E -a 8 0A 53 -29,-3.1 -27,-2.9 -2,-0.5 2,-0.4 -0.918 3.7-159.6-109.5 119.3 -8.5 -10.6 -23.5 37 37 A V E +a 9 0A 28 -2,-0.6 2,-0.3 -29,-0.2 -27,-0.2 -0.810 14.1 178.6 -97.9 131.4 -8.9 -9.1 -20.0 38 38 A E E -a 10 0A 86 -29,-3.1 -27,-1.9 -2,-0.4 -2,-0.0 -0.952 21.4-163.7-131.2 152.6 -10.6 -11.3 -17.3 39 39 A H - 0 0 80 -2,-0.3 -26,-0.2 -29,-0.2 -29,-0.1 -0.505 21.6-179.6-135.3 65.0 -11.4 -10.8 -13.7 40 40 A P > - 0 0 31 0, 0.0 3,-1.0 0, 0.0 -27,-0.2 -0.198 36.3 -94.1 -65.3 155.3 -12.1 -14.2 -12.1 41 41 A D T 3 S+ 0 0 130 1,-0.3 5,-0.1 2,-0.1 4,-0.1 -0.416 106.9 6.0 -69.8 146.6 -13.0 -14.6 -8.4 42 42 A K T >> S+ 0 0 152 1,-0.1 4,-2.3 -2,-0.1 3,-1.4 0.863 79.8 162.2 49.1 41.1 -10.2 -15.3 -6.1 43 43 A L H <> + 0 0 0 -3,-1.0 4,-2.4 1,-0.3 -1,-0.1 0.806 67.2 60.5 -62.6 -26.7 -7.8 -14.8 -8.9 44 44 A E H 34 S+ 0 0 40 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.691 111.5 40.4 -73.7 -17.5 -4.8 -14.4 -6.5 45 45 A E H <> S+ 0 0 83 -3,-1.4 4,-1.0 2,-0.1 -2,-0.2 0.768 115.3 51.0 -95.4 -34.6 -5.5 -17.9 -5.2 46 46 A K H X S+ 0 0 80 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.849 99.5 65.5 -70.9 -35.4 -6.2 -19.4 -8.6 47 47 A F H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.906 100.9 46.6 -55.5 -49.8 -3.1 -18.0 -10.2 48 48 A P H > S+ 0 0 34 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.881 114.1 50.3 -62.8 -36.0 -0.6 -20.1 -8.2 49 49 A Q H X S+ 0 0 132 -4,-1.0 4,-0.6 2,-0.2 -2,-0.2 0.970 118.1 35.2 -66.6 -53.0 -2.7 -23.2 -8.8 50 50 A V H ><>S+ 0 0 44 -4,-2.8 5,-2.6 1,-0.2 3,-0.6 0.856 115.7 53.5 -73.2 -32.2 -2.9 -22.9 -12.5 51 51 A A H ><5S+ 0 0 8 -4,-2.8 3,-1.5 -5,-0.3 -1,-0.2 0.834 99.9 64.1 -70.2 -29.2 0.5 -21.4 -13.2 52 52 A A H 3<5S+ 0 0 77 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.796 105.3 45.4 -62.0 -26.9 2.0 -24.3 -11.2 53 53 A T T <<5S- 0 0 100 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.327 126.7 -99.7 -98.5 7.2 0.7 -26.6 -14.0 54 54 A G T < 5S+ 0 0 27 -3,-1.5 -3,-0.2 1,-0.3 2,-0.1 0.616 91.8 100.1 86.9 14.2 1.9 -24.4 -16.8 55 55 A D < + 0 0 62 -5,-2.6 -1,-0.3 -6,-0.1 214,-0.2 -0.312 37.6 82.4-113.3-163.3 -1.4 -22.7 -17.5 56 56 A G S S- 0 0 22 -55,-0.2 -48,-0.1 -2,-0.1 2,-0.1 -0.422 79.5 -29.9 99.2-174.0 -3.1 -19.4 -16.5 57 57 A P - 0 0 0 0, 0.0 210,-0.2 0, 0.0 -48,-0.2 -0.325 44.3-129.1 -78.0 161.1 -2.9 -15.8 -17.9 58 58 A D S S+ 0 0 0 -50,-1.9 209,-2.6 1,-0.2 2,-0.4 0.854 98.3 27.0 -74.8 -37.2 0.1 -14.3 -19.7 59 59 A I E -bC 9 266A 0 -51,-1.9 -49,-2.6 207,-0.2 2,-0.4 -0.987 67.2-168.7-130.6 137.4 -0.1 -11.3 -17.3 60 60 A I E -bC 10 265A 0 205,-2.4 205,-2.9 -2,-0.4 2,-0.5 -0.985 8.2-154.6-125.2 137.5 -1.5 -11.0 -13.8 61 61 A F E + C 0 264A 4 -51,-2.2 -49,-0.4 -2,-0.4 2,-0.3 -0.943 34.9 128.3-111.2 130.2 -2.1 -7.7 -11.9 62 62 A W E - C 0 263A 47 201,-2.1 201,-2.5 -2,-0.5 5,-0.1 -0.965 65.0 -65.7-169.5 161.7 -2.1 -7.7 -8.1 63 63 A A E > - C 0 262A 31 -2,-0.3 3,-1.0 199,-0.3 4,-0.5 -0.286 54.1-119.8 -52.1 141.2 -0.5 -5.9 -5.1 64 64 A H T >> S+ 0 0 1 197,-1.9 3,-1.1 1,-0.2 4,-0.5 0.743 102.6 72.8 -61.1 -28.4 3.2 -6.6 -5.2 65 65 A D H >> S+ 0 0 62 1,-0.3 3,-1.0 2,-0.2 4,-0.5 0.863 94.4 54.1 -61.1 -31.3 3.5 -8.3 -1.8 66 66 A R H <> S+ 0 0 70 -3,-1.0 4,-1.3 1,-0.2 3,-0.5 0.746 95.0 70.7 -71.2 -24.0 1.7 -11.4 -3.2 67 67 A F H <> S+ 0 0 1 -3,-1.1 4,-2.8 -4,-0.5 -1,-0.2 0.704 84.6 67.5 -67.9 -20.1 4.3 -11.6 -6.0 68 68 A G H <>S+ 0 0 4 -4,-1.3 5,-2.5 2,-0.2 3,-0.6 0.930 112.5 47.2 -66.1 -44.5 4.7 -16.4 -6.8 71 71 A A H ><5S+ 0 0 17 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.835 104.0 63.6 -64.5 -32.4 8.4 -15.7 -7.6 72 72 A Q H 3<5S+ 0 0 110 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.848 107.5 42.3 -59.0 -35.4 9.3 -18.1 -4.8 73 73 A S T <<5S- 0 0 92 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.283 118.5-110.3 -96.7 9.5 7.7 -20.8 -6.9 74 74 A G T < 5S+ 0 0 51 -3,-1.5 -3,-0.2 -4,-0.1 -2,-0.1 0.784 76.7 133.6 68.0 29.4 9.1 -19.7 -10.2 75 75 A L < + 0 0 13 -5,-2.5 193,-2.6 -6,-0.1 2,-0.4 0.605 54.9 66.3 -86.6 -11.9 5.8 -18.5 -11.5 76 76 A L B S-F 267 0B 15 -6,-0.3 191,-0.2 191,-0.3 2,-0.2 -0.916 76.6-128.9-117.1 138.9 7.0 -15.1 -12.8 77 77 A A - 0 0 13 189,-2.9 189,-0.4 -2,-0.4 2,-0.4 -0.531 32.3-108.4 -80.2 145.4 9.4 -14.3 -15.6 78 78 A E - 0 0 121 -2,-0.2 26,-0.2 190,-0.1 2,-0.2 -0.614 41.5-132.5 -72.1 129.9 12.2 -12.0 -14.9 79 79 A I - 0 0 10 24,-2.3 24,-0.3 -2,-0.4 26,-0.1 -0.542 10.0-148.7 -87.1 158.0 11.3 -8.8 -16.7 80 80 A T + 0 0 90 -2,-0.2 2,-0.2 24,-0.0 -1,-0.1 -0.257 28.3 158.0-122.5 47.7 13.7 -6.9 -19.0 81 81 A P - 0 0 8 0, 0.0 22,-0.1 0, 0.0 -2,-0.0 -0.510 39.0-127.0 -70.4 136.4 13.0 -3.1 -18.9 82 82 A D > - 0 0 102 -2,-0.2 4,-2.5 1,-0.1 3,-0.4 -0.266 29.1 -97.4 -76.7 170.3 16.1 -1.1 -20.0 83 83 A K H > S+ 0 0 165 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.809 122.3 58.3 -56.6 -33.0 17.5 1.8 -17.9 84 84 A A H 4 S+ 0 0 64 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.917 109.7 42.6 -65.0 -45.1 15.6 4.4 -19.9 85 85 A F H >4 S+ 0 0 11 -3,-0.4 3,-2.2 1,-0.2 4,-0.4 0.922 110.6 55.6 -67.2 -43.7 12.2 2.8 -19.2 86 86 A Q H >< S+ 0 0 59 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.875 100.5 62.3 -57.0 -33.2 13.1 2.2 -15.6 87 87 A D T 3< S+ 0 0 92 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.627 90.2 67.7 -67.7 -12.7 13.8 5.9 -15.4 88 88 A K T < S+ 0 0 117 -3,-2.2 217,-1.9 -4,-0.3 218,-0.4 0.576 95.9 62.0 -82.4 -14.3 10.2 6.8 -16.3 89 89 A L B < S-G 304 0C 0 -3,-1.5 215,-0.2 -4,-0.4 214,-0.1 -0.828 103.3 -88.5-110.5 154.7 8.8 5.4 -13.0 90 90 A Y >> - 0 0 33 213,-1.9 3,-1.5 -2,-0.3 4,-0.7 -0.380 40.9-125.8 -59.0 132.0 9.6 6.7 -9.5 91 91 A P H >> S+ 0 0 89 0, 0.0 3,-1.0 0, 0.0 4,-0.5 0.832 104.5 60.5 -50.3 -39.2 12.7 4.8 -8.3 92 92 A F H >4 S+ 0 0 39 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.775 93.7 65.0 -64.7 -24.3 11.2 3.5 -5.1 93 93 A T H X4 S+ 0 0 0 -3,-1.5 3,-1.3 1,-0.2 4,-0.4 0.833 93.5 60.8 -69.1 -28.6 8.5 1.6 -7.0 94 94 A W H X< S+ 0 0 10 -3,-1.0 3,-0.6 -4,-0.7 -1,-0.2 0.742 95.3 63.0 -69.4 -19.0 11.1 -0.7 -8.6 95 95 A D T << S+ 0 0 55 -3,-0.9 3,-0.5 -4,-0.5 -1,-0.3 0.668 95.5 59.8 -77.6 -15.1 12.1 -1.9 -5.1 96 96 A A T < S+ 0 0 2 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.642 105.5 48.8 -86.3 -12.7 8.6 -3.3 -4.6 97 97 A V S < S+ 0 0 1 -3,-0.6 7,-3.2 -4,-0.4 8,-0.6 -0.030 84.5 103.4-119.4 31.1 9.0 -5.7 -7.6 98 98 A R E -H 103 0D 58 -3,-0.5 2,-0.4 5,-0.3 5,-0.2 -0.910 41.2-178.2-114.1 138.7 12.4 -7.3 -7.0 99 99 A Y E > S-H 102 0D 20 3,-2.9 3,-1.7 -2,-0.4 76,-0.1 -0.976 76.7 -9.4-139.3 124.0 12.8 -10.9 -5.7 100 100 A N T 3 S- 0 0 79 -2,-0.4 2,-0.1 1,-0.3 75,-0.1 0.906 131.1 -58.2 54.9 40.0 16.2 -12.4 -5.1 101 101 A G T 3 S+ 0 0 35 73,-0.6 -1,-0.3 1,-0.2 2,-0.2 0.021 115.1 114.3 82.7 -29.1 17.5 -9.4 -6.8 102 102 A K E < S-H 99 0D 104 -3,-1.7 -3,-2.9 -2,-0.1 2,-0.5 -0.534 70.7-120.3 -81.8 140.0 15.6 -10.0 -10.0 103 103 A L E +H 98 0D 15 -24,-0.3 -24,-2.3 -5,-0.2 -5,-0.3 -0.659 35.4 172.7 -75.1 123.9 12.8 -7.6 -11.3 104 104 A I + 0 0 9 -7,-3.2 162,-0.3 -2,-0.5 2,-0.3 0.250 55.0 18.4-121.6 14.0 9.7 -9.8 -11.5 105 105 A A S S- 0 0 0 -8,-0.6 160,-0.2 160,-0.2 -1,-0.2 -0.966 70.5-108.1-172.6 163.4 6.9 -7.3 -12.3 106 106 A Y E -D 264 0A 0 158,-2.4 158,-2.3 -2,-0.3 2,-0.1 -0.871 35.3-125.7-102.4 123.5 6.1 -3.8 -13.6 107 107 A P E +D 263 0A 0 0, 0.0 156,-0.2 0, 0.0 3,-0.1 -0.446 35.3 166.4 -68.1 141.7 4.9 -1.3 -11.0 108 108 A I E + 0 0 4 154,-2.9 195,-2.4 1,-0.4 196,-0.5 0.707 56.3 6.6-118.4 -60.1 1.6 0.3 -11.9 109 109 A A E -DE 262 302A 6 153,-1.2 153,-1.2 193,-0.3 -1,-0.4 -0.864 59.0-138.7-130.4 165.8 0.0 2.2 -9.0 110 110 A V E -DE 261 301A 3 191,-2.8 191,-0.9 -2,-0.3 2,-0.4 -0.977 16.1-176.6-128.9 134.2 1.0 3.2 -5.4 111 111 A E E +D 260 0A 77 149,-2.3 149,-2.7 -2,-0.4 2,-0.3 -0.995 13.3 146.9-136.7 138.1 -1.1 3.1 -2.3 112 112 A A - 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0 0 2 -3,-1.7 3,-0.5 -212,-0.2 -267,-0.1 -0.448 50.3-160.5 -68.5 130.8 3.9 -17.7 -21.1 271 271 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.147 89.0 66.3 -92.2 16.7 5.0 -18.1 -24.8 272 272 A N T 3> + 0 0 5 1,-0.1 4,-2.5 -268,-0.1 5,-0.2 -0.088 55.1 129.8-128.5 36.6 4.1 -14.5 -25.2 273 273 A K H <> S+ 0 0 70 -3,-0.5 4,-2.2 1,-0.2 5,-0.1 0.859 76.4 49.9 -61.3 -37.6 6.7 -12.7 -23.0 274 274 A E H > S+ 0 0 146 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.893 111.3 48.9 -68.0 -40.8 7.8 -10.3 -25.7 275 275 A L H > S+ 0 0 36 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.919 110.9 51.5 -61.7 -45.5 4.2 -9.3 -26.5 276 276 A A H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.931 110.5 47.7 -58.1 -48.0 3.5 -8.8 -22.7 277 277 A K H X S+ 0 0 67 -4,-2.2 4,-3.0 1,-0.2 5,-0.5 0.927 112.2 49.1 -61.0 -45.7 6.6 -6.5 -22.4 278 278 A E H X S+ 0 0 80 -4,-2.5 4,-2.0 2,-0.2 5,-0.3 0.925 115.1 45.3 -59.2 -45.7 5.5 -4.5 -25.5 279 279 A F H X>S+ 0 0 0 -4,-2.8 5,-2.5 3,-0.2 4,-1.6 0.961 117.7 41.9 -63.0 -54.1 2.0 -4.1 -24.2 280 280 A L H <>S+ 0 0 0 -4,-3.3 5,-2.5 3,-0.2 -2,-0.2 0.933 122.7 37.0 -62.8 -47.3 3.0 -3.3 -20.6 281 281 A E H <5S+ 0 0 15 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.934 128.4 27.2 -72.8 -45.7 5.8 -0.9 -21.5 282 282 A N H <5S+ 0 0 81 -4,-2.0 -3,-0.2 -5,-0.5 -2,-0.2 0.466 131.6 26.7-102.5 -1.3 4.6 0.9 -24.5 283 283 A Y T <5S+ 0 0 34 -4,-1.6 3,-0.4 -5,-0.3 6,-0.3 0.665 127.0 31.2-122.4 -53.1 0.8 0.8 -24.3 284 284 A L T S- 0 0 34 -2,-2.6 4,-2.3 -3,-0.4 5,-0.3 -0.903 92.0-104.7-137.1 162.4 2.0 5.7 -20.9 287 287 A D H > S+ 0 0 57 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.898 122.5 50.0 -57.8 -39.4 -0.1 8.7 -20.1 288 288 A E H > S+ 0 0 136 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.887 111.4 46.9 -66.6 -41.2 -2.7 7.4 -22.5 289 289 A G H > S+ 0 0 4 -6,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.942 114.8 43.8 -68.2 -48.1 -2.8 3.9 -21.2 290 290 A L H X S+ 0 0 0 -4,-2.3 4,-3.5 -6,-0.5 5,-0.2 0.864 111.3 56.6 -66.6 -32.8 -3.1 4.8 -17.5 291 291 A E H X S+ 0 0 80 -4,-1.8 4,-2.7 -5,-0.3 5,-0.2 0.932 104.2 52.8 -62.9 -45.2 -5.7 7.4 -18.4 292 292 A A H X S+ 0 0 24 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.903 115.6 40.1 -57.8 -42.8 -7.8 4.8 -20.1 293 293 A V H X S+ 0 0 7 -4,-1.7 4,-2.4 -274,-0.2 3,-0.4 0.940 114.1 52.5 -71.0 -47.7 -7.7 2.6 -16.9 294 294 A N H < S+ 0 0 28 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.853 104.4 56.5 -56.6 -39.8 -8.1 5.5 -14.5 295 295 A K H < S+ 0 0 161 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.876 110.5 45.3 -59.6 -39.8 -11.2 6.8 -16.3 296 296 A D H < S- 0 0 45 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.957 140.7 -11.1 -68.4 -54.5 -12.9 3.5 -15.8 297 297 A K S < S- 0 0 67 -4,-2.4 -281,-0.4 -281,-0.1 -1,-0.3 -0.937 86.7-103.6-148.9 122.5 -11.8 3.1 -12.1 298 298 A P - 0 0 110 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 -0.176 19.2-159.2 -53.7 133.3 -9.3 5.4 -10.4 299 299 A L - 0 0 26 1,-0.3 2,-0.4 -9,-0.1 -189,-0.2 0.642 28.3-143.9 -84.8 -16.5 -5.8 4.0 -9.9 300 300 A G + 0 0 17 -191,-0.1 -1,-0.3 -6,-0.1 2,-0.2 -0.719 66.7 2.2 85.9-138.8 -5.0 6.5 -7.2 301 301 A A E S-E 110 0A 0 -191,-0.9 -191,-2.8 -2,-0.4 2,-0.3 -0.583 81.1-146.5 -80.3 144.1 -1.3 7.5 -7.3 302 302 A V E -E 109 0A 0 -193,-0.3 -193,-0.3 -2,-0.2 -194,-0.1 -0.791 19.0-131.8-116.0 159.9 0.7 6.0 -10.2 303 303 A A S S+ 0 0 0 -195,-2.4 -213,-1.9 -2,-0.3 2,-0.7 0.652 83.6 92.0 -77.2 -19.7 4.2 4.8 -10.6 304 304 A L B > -G 89 0C 5 -196,-0.5 4,-2.6 -215,-0.2 3,-0.3 -0.707 68.9-150.0 -82.0 114.5 4.7 6.6 -14.0 305 305 A K H > S+ 0 0 60 -217,-1.9 4,-2.3 -2,-0.7 5,-0.2 0.885 90.0 54.4 -50.3 -48.5 6.1 10.1 -13.3 306 306 A S H > S+ 0 0 55 -218,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.895 116.1 36.9 -58.7 -41.7 4.5 11.9 -16.3 307 307 A Y H >> S+ 0 0 15 -3,-0.3 4,-2.6 2,-0.2 3,-0.8 0.877 112.3 57.4 -80.2 -35.7 1.0 10.8 -15.5 308 308 A E H 3X S+ 0 0 4 -4,-2.6 4,-2.8 1,-0.3 -2,-0.2 0.886 100.8 60.4 -60.4 -36.0 1.4 11.1 -11.6 309 309 A E H 3< S+ 0 0 126 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.834 109.7 41.1 -62.2 -29.4 2.4 14.7 -12.2 310 310 A E H X< S+ 0 0 99 -3,-0.8 3,-1.5 -4,-0.6 -2,-0.2 0.887 114.8 49.9 -82.4 -43.7 -1.0 15.3 -13.8 311 311 A L H >< S+ 0 0 19 -4,-2.6 3,-2.1 1,-0.3 6,-0.3 0.850 96.8 71.6 -61.4 -33.4 -3.0 13.2 -11.2 312 312 A A T 3< S+ 0 0 33 -4,-2.8 -1,-0.3 1,-0.3 6,-0.2 0.445 70.8 86.6 -65.5 -1.5 -1.3 15.1 -8.4 313 313 A K T < S+ 0 0 163 -3,-1.5 -1,-0.3 -5,-0.1 -2,-0.1 0.650 77.4 76.5 -70.0 -16.4 -3.3 18.2 -9.2 314 314 A D S X> S- 0 0 46 -3,-2.1 4,-2.1 1,-0.1 3,-0.7 -0.895 84.8-147.5 -92.1 115.6 -5.8 16.4 -6.9 315 315 A P H 3> S+ 0 0 93 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.751 94.0 60.1 -58.6 -24.7 -4.3 17.2 -3.5 316 316 A R H 3> S+ 0 0 66 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.901 108.2 43.3 -70.9 -40.8 -5.6 13.8 -2.1 317 317 A I H <> S+ 0 0 19 -3,-0.7 4,-2.4 -6,-0.3 5,-0.2 0.912 111.8 54.0 -70.6 -39.1 -3.6 11.9 -4.7 318 318 A A H X S+ 0 0 34 -4,-2.1 4,-2.4 -7,-0.2 -2,-0.2 0.921 109.1 50.4 -56.9 -44.1 -0.6 14.1 -4.1 319 319 A A H X S+ 0 0 4 -4,-2.2 4,-2.6 -75,-0.2 5,-0.3 0.900 106.7 53.2 -60.5 -45.4 -0.8 13.3 -0.4 320 320 A T H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.951 112.5 44.6 -57.3 -47.9 -1.0 9.6 -1.1 321 321 A M H X S+ 0 0 8 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.891 111.7 52.7 -64.6 -41.1 2.2 9.7 -3.1 322 322 A E H X S+ 0 0 72 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.926 112.6 44.2 -60.4 -47.6 4.0 12.0 -0.6 323 323 A N H X S+ 0 0 2 -4,-2.6 4,-0.8 2,-0.2 -1,-0.2 0.894 113.2 52.4 -65.1 -38.0 3.3 9.6 2.2 324 324 A A H >< S+ 0 0 2 -4,-2.3 3,-0.8 -5,-0.3 -2,-0.2 0.922 106.9 51.7 -64.3 -43.1 4.2 6.6 0.1 325 325 A Q H 3< S+ 0 0 100 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.809 114.4 44.4 -63.7 -27.5 7.6 8.2 -0.8 326 326 A K H 3< S+ 0 0 76 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.522 108.2 82.3 -91.0 -8.5 8.2 8.7 2.9 327 327 A G S << S- 0 0 13 -3,-0.8 2,-0.5 -4,-0.8 -69,-0.2 0.076 84.5 -93.9 -87.2-165.8 6.9 5.2 3.8 328 328 A E E -o 258 0H 22 -71,-2.2 -69,-2.3 -72,-0.1 -1,-0.1 -0.965 34.6-123.7-115.1 117.7 8.2 1.6 3.9 329 329 A I E -o 259 0H 24 -2,-0.5 -69,-0.1 -71,-0.2 -71,-0.1 -0.409 40.9-105.5 -57.0 134.0 7.6 -0.7 0.8 330 330 A M - 0 0 19 -71,-2.2 -69,-0.1 1,-0.1 -1,-0.1 -0.471 38.8-112.0 -65.2 125.4 5.7 -3.7 2.2 331 331 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -235,-0.1 -0.340 19.6-154.3 -60.1 134.8 8.1 -6.7 2.3 332 332 A N + 0 0 10 -234,-0.2 -2,-0.1 -264,-0.1 -236,-0.0 0.213 59.0 107.7 -96.3 16.2 7.2 -9.4 -0.2 333 333 A I S > S- 0 0 21 1,-0.1 3,-1.6 -265,-0.1 4,-0.2 -0.572 78.7-116.7 -93.8 156.1 8.9 -12.2 1.8 334 334 A P T > S+ 0 0 76 0, 0.0 3,-1.9 0, 0.0 4,-0.5 0.812 108.5 69.1 -60.4 -30.6 7.1 -15.0 3.7 335 335 A Q T 3> S+ 0 0 73 1,-0.3 4,-1.7 2,-0.2 3,-0.4 0.655 78.9 80.8 -63.9 -14.3 8.5 -13.9 7.1 336 336 A M H <> S+ 0 0 7 -3,-1.6 4,-2.4 1,-0.2 -1,-0.3 0.826 84.3 60.8 -62.4 -26.3 6.3 -10.8 6.8 337 337 A S H <> S+ 0 0 82 -3,-1.9 4,-2.0 -4,-0.2 -1,-0.2 0.911 102.7 50.7 -66.0 -38.9 3.4 -13.0 8.0 338 338 A A H > S+ 0 0 41 -4,-0.5 4,-2.3 -3,-0.4 5,-0.2 0.890 108.5 53.3 -63.7 -39.7 5.4 -13.6 11.3 339 339 A F H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.4 0.943 106.7 51.7 -60.2 -51.0 5.8 -9.8 11.6 340 340 A W H X S+ 0 0 53 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.950 113.7 41.7 -53.7 -54.8 2.1 -9.1 11.3 341 341 A Y H X S+ 0 0 119 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.902 116.9 47.5 -62.6 -43.2 1.0 -11.5 14.0 342 342 A A H X S+ 0 0 1 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.934 116.0 42.8 -64.6 -47.8 3.8 -10.6 16.4 343 343 A V H X S+ 0 0 0 -4,-2.9 4,-3.0 -5,-0.2 5,-0.3 0.889 109.3 58.1 -68.1 -36.4 3.4 -6.8 16.1 344 344 A R H X S+ 0 0 83 -4,-2.5 4,-2.2 -5,-0.4 -1,-0.2 0.942 111.2 43.0 -56.4 -45.4 -0.4 -7.1 16.2 345 345 A T H X S+ 0 0 39 -4,-1.8 4,-2.9 -5,-0.2 5,-0.2 0.914 112.2 52.8 -68.2 -44.2 -0.0 -8.8 19.6 346 346 A A H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.946 112.6 43.7 -57.5 -51.2 2.6 -6.4 20.9 347 347 A V H X S+ 0 0 6 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.928 114.1 49.5 -63.3 -45.1 0.6 -3.3 20.1 348 348 A I H X S+ 0 0 52 -4,-2.2 4,-1.9 -5,-0.3 6,-0.3 0.946 114.6 45.6 -57.8 -47.8 -2.7 -4.8 21.5 349 349 A N H X>S+ 0 0 14 -4,-2.9 6,-1.8 1,-0.2 4,-1.1 0.868 113.4 48.6 -63.9 -38.9 -0.9 -5.8 24.7 350 350 A A H <5S+ 0 0 3 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.878 112.9 48.1 -69.1 -37.4 0.9 -2.5 25.1 351 351 A A H <5S+ 0 0 18 -4,-2.5 -2,-0.2 -5,-0.2 -145,-0.2 0.833 113.3 47.0 -72.2 -33.1 -2.3 -0.5 24.6 352 352 A S H <5S- 0 0 75 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.639 110.5-119.5 -82.6 -18.0 -4.3 -2.7 27.0 353 353 A G T <5S+ 0 0 58 -4,-1.1 -3,-0.2 2,-0.3 -4,-0.1 0.363 81.4 121.6 93.7 -4.7 -1.6 -2.5 29.7 354 354 A R S - 0 0 91 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.370 38.2-107.1 -75.5 166.7 4.7 -2.7 29.0 357 357 A V H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.948 119.3 50.6 -60.4 -50.4 6.0 -1.3 25.7 358 358 A D H > S+ 0 0 89 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.899 114.8 42.0 -54.8 -46.1 9.5 -2.6 26.2 359 359 A E H > S+ 0 0 86 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.886 113.0 52.9 -71.4 -39.8 8.3 -6.2 27.0 360 360 A A H X S+ 0 0 1 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.930 116.0 39.7 -62.8 -43.9 5.6 -6.3 24.3 361 361 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.867 111.5 57.3 -73.8 -35.9 8.1 -5.3 21.6 362 362 A K H X S+ 0 0 99 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.954 110.0 45.4 -57.7 -48.1 10.9 -7.5 23.1 363 363 A D H X S+ 0 0 57 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.883 112.3 50.7 -63.8 -38.3 8.6 -10.5 22.7 364 364 A A H X S+ 0 0 2 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.927 109.0 50.7 -65.2 -45.8 7.5 -9.6 19.2 365 365 A Q H X S+ 0 0 27 -4,-2.7 4,-1.9 1,-0.2 5,-0.3 0.921 109.0 52.5 -58.1 -44.7 11.1 -9.1 18.0 366 366 A T H X S+ 0 0 65 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.905 109.9 48.5 -59.1 -42.5 12.0 -12.5 19.4 367 367 A R H < S+ 0 0 133 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.933 110.6 49.4 -63.2 -49.1 9.1 -14.2 17.5 368 368 A I H < S+ 0 0 8 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.859 119.6 34.9 -61.0 -40.8 9.9 -12.6 14.1 369 369 A T H < 0 0 35 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.650 360.0 360.0 -89.5 -17.4 13.6 -13.5 14.1 370 370 A K < 0 0 212 -4,-1.4 -1,-0.2 -5,-0.3 -4,-0.0 -0.446 360.0 360.0 -80.3 360.0 13.2 -16.8 15.9