==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MALTODEXTRIN BINDING PROTEIN/DE NOVO PRO01-NOV-10 3PGF . COMPND 2 MOLECULE: MALTOSE-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.A.KOSSIAKOFF,E.M.DUGUID,A.SANDSTROM . 794 4 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33523.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 540 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 210 26.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 68 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.8 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 1 1 2 1 4 2 0 1 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 1 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 PARALLEL BRIDGES PER LADDER . 6 8 5 4 6 8 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 6 1 1 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 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 0 233 0, 0.0 2,-0.4 0, 0.0 54,-0.1 0.000 360.0 360.0 360.0 162.0 -14.9 -4.8 -19.2 2 2 A I - 0 0 22 52,-0.4 2,-0.3 259,-0.2 5,-0.0 -0.752 360.0-115.6 -91.5 129.0 -15.2 -1.2 -20.6 3 3 A E > - 0 0 127 -2,-0.4 3,-0.8 1,-0.0 2,-0.2 -0.543 25.5-131.9 -66.0 128.1 -18.0 -0.8 -23.3 4 4 A E T 3 S+ 0 0 157 -2,-0.3 3,-0.1 1,-0.2 260,-0.1 -0.569 87.0 31.0 -73.7 141.1 -16.7 0.1 -26.8 5 5 A G T 3 S+ 0 0 45 1,-0.3 29,-0.4 -2,-0.2 2,-0.3 0.700 109.1 71.8 84.3 19.1 -18.5 3.1 -28.5 6 6 A K S < S- 0 0 42 -3,-0.8 2,-0.4 27,-0.1 -1,-0.3 -0.962 71.7-125.5-150.3 168.1 -19.5 5.0 -25.3 7 7 A L E -a 35 0A 0 27,-2.8 29,-3.0 -2,-0.3 2,-0.5 -0.970 13.7-168.5-119.1 133.0 -17.7 7.1 -22.6 8 8 A V E -a 36 0A 21 -2,-0.4 50,-1.9 27,-0.2 51,-1.8 -0.995 13.0-168.0-118.0 126.2 -17.9 6.5 -18.8 9 9 A I E -ab 37 59A 0 27,-3.3 29,-3.1 -2,-0.5 2,-0.5 -0.939 9.4-160.7-117.3 129.2 -16.5 9.4 -16.7 10 10 A W E +ab 38 60A 25 49,-2.2 51,-2.2 -2,-0.4 2,-0.3 -0.962 21.3 160.9-105.6 133.2 -15.7 9.3 -12.9 11 11 A I - 0 0 3 27,-2.1 51,-0.1 -2,-0.5 32,-0.1 -0.980 44.7 -87.6-145.2 151.2 -15.4 12.7 -11.1 12 12 A N > - 0 0 33 -2,-0.3 3,-2.1 49,-0.3 5,-0.2 -0.281 31.9-121.3 -61.9 143.2 -15.7 13.5 -7.4 13 13 A G T 3 S+ 0 0 37 1,-0.3 -1,-0.1 27,-0.3 4,-0.1 0.526 110.1 59.1 -61.5 -15.0 -19.1 14.2 -5.8 14 14 A D T 3 S+ 0 0 46 2,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.589 95.9 80.1 -88.1 -9.0 -18.1 17.7 -4.7 15 15 A K S < S- 0 0 21 -3,-2.1 2,-2.4 1,-0.1 3,-0.3 -0.331 102.6 -80.9 -96.9 173.5 -17.3 18.9 -8.3 16 16 A G > + 0 0 1 273,-0.4 4,-2.2 1,-0.2 5,-0.2 -0.351 62.3 153.7 -77.4 69.4 -19.7 20.0 -11.1 17 17 A Y H > S+ 0 0 69 -2,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.817 71.2 53.4 -75.9 -28.4 -20.9 16.6 -12.3 18 18 A N H > S+ 0 0 96 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.922 110.3 47.3 -66.3 -43.3 -24.2 17.8 -13.6 19 19 A G H > S+ 0 0 6 266,-0.2 4,-1.4 2,-0.2 266,-0.2 0.880 111.8 50.8 -61.4 -41.9 -22.4 20.5 -15.7 20 20 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 3,-0.2 0.895 106.4 55.4 -62.8 -40.6 -20.0 17.9 -17.0 21 21 A A H >X S+ 0 0 29 -4,-2.1 4,-2.4 1,-0.2 3,-0.6 0.948 103.2 55.5 -56.6 -44.8 -23.0 15.7 -17.9 22 22 A E H 3X S+ 0 0 118 -4,-2.1 4,-1.5 1,-0.3 -1,-0.2 0.838 105.3 51.3 -55.6 -37.4 -24.3 18.6 -20.0 23 23 A V H 3X S+ 0 0 8 -4,-1.4 4,-1.8 -3,-0.2 -1,-0.3 0.796 107.7 54.3 -67.4 -30.3 -21.0 18.6 -21.9 24 24 A G H - 0 0 30 0, 0.0 3,-1.2 0, 0.0 -27,-0.3 -0.257 33.3 -98.7 -68.7 155.6 -18.7 7.0 -6.9 41 41 A D T 3 S+ 0 0 130 1,-0.3 5,-0.1 2,-0.1 4,-0.0 -0.402 106.9 7.0 -65.8 142.1 -17.6 7.2 -3.3 42 42 A K T >> S+ 0 0 119 1,-0.1 4,-2.2 3,-0.1 3,-1.9 0.799 79.7 164.6 52.9 34.6 -13.8 6.8 -2.7 43 43 A L H <> + 0 0 0 -3,-1.2 4,-2.7 1,-0.3 -1,-0.1 0.781 68.1 61.6 -51.7 -28.6 -13.4 7.0 -6.5 44 44 A E H 34 S+ 0 0 22 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.744 110.5 38.9 -77.9 -20.4 -9.7 7.6 -6.0 45 45 A E H <> S+ 0 0 103 -3,-1.9 4,-1.0 2,-0.1 -2,-0.2 0.744 116.1 51.2 -91.6 -33.0 -9.2 4.3 -4.3 46 46 A K H X S+ 0 0 81 -4,-2.2 4,-2.6 2,-0.2 3,-0.4 0.954 100.0 64.1 -67.3 -45.2 -11.6 2.3 -6.5 47 47 A F H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.3 5,-0.3 0.906 104.4 43.6 -52.0 -56.3 -10.0 3.5 -9.8 48 48 A P H > S+ 0 0 41 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.864 115.0 52.5 -59.9 -32.4 -6.6 1.8 -9.2 49 49 A Q H < S+ 0 0 144 -4,-1.0 4,-0.3 -3,-0.4 -2,-0.2 0.964 118.8 32.7 -60.5 -53.8 -8.4 -1.3 -8.0 50 50 A V H ><>S+ 0 0 49 -4,-2.6 5,-2.3 1,-0.2 3,-1.1 0.873 115.8 56.1 -74.7 -39.4 -10.7 -1.7 -11.0 51 51 A A H ><5S+ 0 0 7 -4,-2.8 3,-1.6 -5,-0.3 -1,-0.2 0.745 91.9 72.5 -62.2 -28.5 -8.2 -0.3 -13.7 52 52 A A T 3<5S+ 0 0 73 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.810 105.6 37.4 -61.1 -28.1 -5.5 -2.9 -12.7 53 53 A T T < 5S- 0 0 115 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.195 129.2 -93.2-111.4 16.7 -7.6 -5.6 -14.4 54 54 A G T < 5S+ 0 0 22 -3,-1.6 -52,-0.4 1,-0.3 -3,-0.2 0.651 89.8 114.2 90.6 13.5 -8.8 -3.4 -17.3 55 55 A D < + 0 0 64 -5,-2.3 -1,-0.3 -54,-0.1 206,-0.2 -0.468 35.4 70.0-100.9-178.6 -12.1 -2.3 -15.8 56 56 A G S S- 0 0 23 -2,-0.2 -48,-0.1 -55,-0.1 4,-0.0 -0.518 84.4 -31.1 108.2-169.0 -13.3 1.2 -14.7 57 57 A P - 0 0 0 0, 0.0 -48,-0.2 0, 0.0 202,-0.1 -0.318 46.8-126.1 -79.0 165.3 -14.3 4.4 -16.4 58 58 A D S S+ 0 0 1 -50,-1.9 201,-2.6 1,-0.2 2,-0.4 0.795 98.7 28.4 -69.9 -35.2 -12.8 5.6 -19.7 59 59 A I E -bC 9 258A 0 -51,-1.8 -49,-2.2 199,-0.2 2,-0.4 -0.995 69.0-166.5-134.7 133.9 -11.9 9.0 -18.1 60 60 A I E -bC 10 257A 0 197,-2.0 197,-3.1 -2,-0.4 2,-0.4 -0.989 5.3-156.8-124.6 134.0 -11.1 9.8 -14.5 61 61 A F E + C 0 256A 5 -51,-2.2 -49,-0.3 -2,-0.4 2,-0.3 -0.935 33.3 127.5-105.2 130.3 -10.9 13.3 -12.9 62 62 A W E - C 0 255A 40 193,-2.0 193,-3.1 -2,-0.4 -2,-0.0 -0.952 64.7 -71.2-161.6 169.2 -8.9 13.9 -9.7 63 63 A A E > - C 0 254A 10 -2,-0.3 3,-1.1 191,-0.3 4,-0.4 -0.348 53.7-110.3 -60.4 152.5 -6.3 16.3 -8.5 64 64 A H G >> S+ 0 0 0 189,-1.3 4,-0.7 1,-0.2 3,-0.7 0.637 104.0 83.3 -61.8 -18.1 -2.9 15.6 -10.1 65 65 A D G 34 S+ 0 0 6 1,-0.3 3,-0.4 2,-0.2 4,-0.4 0.837 94.2 43.8 -65.6 -33.1 -1.3 14.2 -6.9 66 66 A R G <> S+ 0 0 37 -3,-1.1 4,-1.9 1,-0.2 -1,-0.3 0.660 96.5 78.0 -80.1 -21.0 -2.8 10.7 -7.4 67 67 A F H <> S+ 0 0 0 -3,-0.7 4,-2.8 -4,-0.4 -1,-0.2 0.787 84.8 61.0 -61.1 -31.4 -2.0 10.5 -11.1 68 68 A G H X S+ 0 0 0 -4,-0.7 4,-2.7 -3,-0.4 -1,-0.2 0.902 105.8 46.1 -60.3 -51.5 1.7 9.7 -10.5 69 69 A G H > S+ 0 0 19 -4,-0.4 4,-1.8 256,-0.4 -2,-0.2 0.903 113.9 49.8 -53.3 -47.4 0.8 6.5 -8.7 70 70 A Y H <>S+ 0 0 11 -4,-1.9 5,-2.7 2,-0.2 6,-0.4 0.923 111.8 47.3 -60.1 -43.7 -1.7 5.6 -11.4 71 71 A A H ><5S+ 0 0 20 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.898 109.7 53.7 -65.9 -43.9 0.9 6.3 -14.2 72 72 A Q H 3<5S+ 0 0 107 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.870 107.6 50.8 -57.1 -40.9 3.6 4.2 -12.4 73 73 A S T 3<5S- 0 0 83 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.362 118.4-113.6 -79.9 6.2 1.1 1.2 -12.2 74 74 A G T < 5S+ 0 0 51 -3,-1.6 -3,-0.2 -5,-0.1 -2,-0.1 0.766 79.8 127.3 75.5 24.8 0.5 1.6 -16.0 75 75 A L < + 0 0 12 -5,-2.7 185,-2.3 -6,-0.2 2,-0.4 0.545 52.2 69.7 -92.9 -10.7 -3.1 2.6 -15.5 76 76 A L B S-F 259 0B 14 -6,-0.4 2,-0.3 183,-0.3 183,-0.2 -0.905 75.2-129.6-114.8 136.7 -3.1 5.8 -17.6 77 77 A A - 0 0 10 181,-3.1 181,-0.4 -2,-0.4 2,-0.3 -0.625 32.7-111.0 -74.6 140.4 -2.8 6.2 -21.4 78 78 A E - 0 0 108 -2,-0.3 26,-0.2 179,-0.1 2,-0.2 -0.616 38.1-131.1 -66.9 133.0 -0.2 8.7 -22.5 79 79 A I - 0 0 6 24,-2.6 24,-0.3 -2,-0.3 26,-0.1 -0.540 12.4-152.4 -90.0 161.6 -2.2 11.5 -24.0 80 80 A T + 0 0 84 -2,-0.2 2,-0.1 24,-0.0 -1,-0.1 -0.262 24.8 163.1-128.4 44.5 -1.3 12.9 -27.4 81 81 A P - 0 0 7 0, 0.0 22,-0.1 0, 0.0 2,-0.0 -0.490 39.6-120.2 -72.3 140.4 -2.3 16.6 -27.6 82 82 A D >> - 0 0 104 -2,-0.1 4,-2.2 1,-0.1 3,-1.5 -0.274 29.9 -98.1 -73.1 162.1 -0.6 18.3 -30.5 83 83 A K H 3> S+ 0 0 108 1,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.825 123.2 54.2 -54.3 -34.2 1.7 21.3 -29.9 84 84 A A H 34 S+ 0 0 66 2,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.705 107.4 48.3 -70.9 -29.4 -1.2 23.7 -30.8 85 85 A F H X4 S+ 0 0 6 -3,-1.5 3,-1.8 1,-0.2 4,-0.3 0.907 108.1 55.0 -75.4 -42.4 -3.6 22.2 -28.3 86 86 A Q H >< S+ 0 0 31 -4,-2.2 3,-1.5 1,-0.3 -2,-0.2 0.806 100.8 61.0 -58.2 -31.2 -1.0 22.4 -25.6 87 87 A D T 3< S+ 0 0 52 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.521 88.8 72.2 -78.2 -8.3 -0.5 26.2 -26.3 88 88 A K T < S+ 0 0 114 -3,-1.8 209,-1.8 -4,-0.1 210,-0.4 0.653 95.6 59.6 -79.1 -12.3 -4.1 26.7 -25.4 89 89 A L B < S-G 296 0C 1 -3,-1.5 207,-0.2 -4,-0.3 206,-0.1 -0.830 104.6 -87.5-110.7 158.1 -3.2 26.1 -21.7 90 90 A Y >> - 0 0 13 205,-1.8 3,-1.3 -2,-0.3 4,-0.6 -0.388 44.4-125.9 -59.3 131.6 -0.8 28.0 -19.4 91 91 A P G >4 S+ 0 0 19 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.826 103.9 57.1 -59.0 -32.0 2.5 26.3 -20.1 92 92 A F G >4 S+ 0 0 16 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.782 90.9 70.3 -72.1 -28.5 3.2 25.5 -16.4 93 93 A T G X4 S+ 0 0 6 -3,-1.3 3,-1.2 1,-0.3 4,-0.4 0.826 88.7 65.2 -59.6 -26.2 -0.0 23.6 -15.9 94 94 A W G X< S+ 0 0 7 -3,-1.0 3,-0.9 -4,-0.6 -1,-0.3 0.727 90.0 66.5 -68.8 -24.4 1.3 20.7 -18.1 95 95 A D G X S+ 0 0 2 -3,-1.4 3,-1.0 -4,-0.4 -1,-0.3 0.796 89.7 61.4 -66.9 -25.4 4.0 20.0 -15.6 96 96 A A G < S+ 0 0 1 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.687 110.0 44.6 -68.7 -21.3 1.5 18.9 -12.9 97 97 A V G < S+ 0 0 0 -3,-0.9 7,-3.1 -4,-0.4 8,-0.5 0.048 88.5 102.8-118.2 20.7 0.5 16.0 -15.4 98 98 A R E < -H 103 0D 17 -3,-1.0 2,-0.4 5,-0.2 5,-0.2 -0.874 44.6-178.8-102.9 138.7 3.9 14.9 -16.6 99 99 A Y E > S-H 102 0D 32 3,-2.8 3,-1.9 -2,-0.4 315,-0.1 -0.973 73.5 -10.8-142.3 119.7 5.1 11.7 -15.1 100 100 A N T 3 S- 0 0 130 -2,-0.4 3,-0.1 1,-0.3 315,-0.1 0.836 131.1 -55.1 55.9 34.6 8.6 10.3 -16.1 101 101 A G T 3 S+ 0 0 54 313,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.386 116.7 111.1 83.6 -3.0 8.6 12.9 -18.9 102 102 A K E < S-H 99 0D 112 -3,-1.9 -3,-2.8 2,-0.0 2,-0.5 -0.871 70.9-119.5-109.6 147.7 5.3 11.8 -20.4 103 103 A L E +H 98 0D 17 -2,-0.4 -24,-2.6 -24,-0.3 -5,-0.2 -0.670 35.6 168.9 -80.2 119.2 1.9 13.6 -20.4 104 104 A I + 0 0 11 -7,-3.1 154,-0.4 -2,-0.5 2,-0.3 0.325 58.0 12.2-120.7 9.4 -0.6 11.4 -18.6 105 105 A A S S- 0 0 0 -8,-0.5 152,-0.2 152,-0.2 -1,-0.2 -0.960 72.8-104.3-170.0 167.0 -3.6 13.7 -18.2 106 106 A Y E -D 256 0A 1 150,-2.5 150,-2.0 -2,-0.3 2,-0.2 -0.877 35.9-128.8 -99.1 129.8 -5.1 17.0 -19.2 107 107 A P E +D 255 0A 0 0, 0.0 148,-0.2 0, 0.0 3,-0.1 -0.578 30.5 172.0 -78.9 141.2 -4.9 19.8 -16.6 108 108 A I E - 0 0 2 146,-2.7 187,-2.2 1,-0.3 188,-0.5 0.693 54.2 -14.6-113.8 -47.8 -8.3 21.5 -16.0 109 109 A A E -DE 254 294A 0 145,-1.5 145,-2.3 185,-0.3 2,-0.5 -0.981 49.8-120.3-167.2 145.0 -7.9 23.9 -13.0 110 110 A V E -DE 253 293A 4 183,-2.7 183,-2.5 -2,-0.3 2,-0.5 -0.806 33.0-167.3 -86.4 122.6 -5.8 25.0 -10.1 111 111 A E E +D 252 0A 9 141,-2.6 141,-1.3 -2,-0.5 2,-0.4 -0.953 10.5 172.4-113.8 126.4 -7.7 24.6 -6.8 112 112 A A - 0 0 0 -2,-0.5 2,-0.2 139,-0.2 204,-0.1 -0.976 33.0-114.0-129.9 145.6 -6.5 26.2 -3.5 113 113 A L - 0 0 0 -2,-0.4 2,-0.3 137,-0.2 107,-0.2 -0.496 35.8-173.9 -60.7 142.7 -8.3 26.5 -0.2 114 114 A S E -I 219 0E 1 105,-2.4 105,-1.6 -2,-0.2 2,-0.5 -0.907 33.4 -98.4-128.7 171.2 -9.3 29.9 1.1 115 115 A L E -IJ 218 237E 2 122,-2.2 122,-3.4 -2,-0.3 2,-0.5 -0.776 39.2-164.5 -83.8 126.0 -10.8 31.4 4.3 116 116 A I E -IJ 217 236E 0 101,-2.8 101,-2.5 -2,-0.5 2,-0.3 -0.956 13.6-178.1-112.3 133.9 -14.5 31.9 3.6 117 117 A Y E -IJ 216 235E 30 118,-2.2 118,-2.2 -2,-0.5 2,-0.7 -0.942 34.5-116.4-141.0 154.3 -16.3 34.2 6.0 118 118 A N E > - 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0 0 1 -2,-0.3 3,-1.8 -107,-0.2 4,-0.2 -0.409 46.9 -89.2 -96.5 179.2 -12.3 25.4 -2.1 221 229 A P G > S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 4,-0.4 0.798 118.4 70.2 -57.9 -30.5 -14.0 27.0 -5.1 222 230 A W G > S+ 0 0 9 1,-0.3 3,-0.5 67,-0.2 4,-0.4 0.806 93.2 61.0 -61.1 -26.1 -16.4 24.1 -5.6 223 231 A A G <> S+ 0 0 4 -3,-1.8 4,-1.1 1,-0.2 -1,-0.3 0.591 81.9 81.7 -72.1 -19.2 -18.1 25.1 -2.3 224 232 A W H <> S+ 0 0 2 -3,-2.1 4,-2.7 -4,-0.2 3,-0.3 0.878 81.8 59.8 -67.2 -35.1 -19.2 28.6 -3.4 225 233 A S H <> S+ 0 0 19 -3,-0.5 4,-2.4 -4,-0.4 -1,-0.2 0.912 104.5 49.4 -66.3 -35.1 -22.4 27.5 -5.3 226 234 A N H > S+ 0 0 59 -4,-0.4 4,-1.1 1,-0.2 -1,-0.3 0.828 112.1 50.1 -68.4 -28.5 -24.0 26.0 -2.2 227 235 A I H X>S+ 0 0 3 -4,-1.1 4,-0.8 -3,-0.3 5,-0.5 0.937 107.8 52.7 -72.4 -42.8 -23.2 29.1 -0.3 228 236 A D H ><5S+ 0 0 75 -4,-2.7 3,-1.1 1,-0.3 -2,-0.2 0.927 109.8 49.2 -51.1 -51.6 -24.7 31.3 -3.1 229 237 A T H 3<5S+ 0 0 116 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.811 106.2 58.2 -51.9 -38.9 -27.9 29.2 -2.8 230 238 A S H 3<5S- 0 0 37 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.589 98.3-137.0 -72.5 -14.5 -27.8 29.7 1.0 231 239 A K T <<5 + 0 0 184 -3,-1.1 -3,-0.1 -4,-0.8 -2,-0.1 0.404 48.6 151.6 67.2 -5.9 -27.9 33.6 0.7 232 240 A V < - 0 0 21 -5,-0.5 2,-1.3 -22,-0.2 -1,-0.2 -0.351 55.3-121.3 -45.7 129.2 -25.2 34.0 3.5 233 241 A N + 0 0 76 -3,-0.1 -114,-2.6 2,-0.0 -113,-0.6 -0.681 51.7 176.4 -75.5 99.7 -23.5 37.2 2.7 234 242 A Y E -J 118 0E 28 -2,-1.3 2,-0.3 -116,-0.2 -116,-0.2 -0.693 26.8-160.2-113.1 162.0 -20.0 35.7 2.3 235 243 A G E -J 117 0E 8 -118,-2.2 -118,-2.2 -2,-0.2 2,-0.5 -0.933 14.0-140.1-129.6 159.0 -16.4 36.7 1.3 236 244 A V E +J 116 0E 19 -2,-0.3 2,-0.2 -120,-0.2 -120,-0.2 -0.976 37.8 158.4-117.7 128.2 -13.4 34.7 0.2 237 245 A T E -J 115 0E 36 -122,-3.4 -122,-2.2 -2,-0.5 2,-0.1 -0.803 42.9 -63.8-144.3 176.6 -10.1 35.8 1.6 238 246 A V - 0 0 33 -2,-0.2 -124,-0.1 -124,-0.2 3,-0.1 -0.409 58.4-109.0 -61.2 135.4 -6.5 35.0 2.5 239 247 A L - 0 0 4 -126,-0.2 8,-0.3 8,-0.1 -1,-0.1 -0.300 43.2 -92.2 -58.3 154.0 -6.0 32.3 5.1 240 248 A P - 0 0 2 0, 0.0 7,-0.6 0, 0.0 -112,-0.3 -0.253 40.7-113.5 -68.6 160.8 -4.8 33.5 8.5 241 249 A T E -lM 128 246F 40 -114,-2.5 -112,-3.4 5,-0.2 -111,-0.4 -0.479 20.5-149.8 -87.0 159.1 -1.1 33.5 9.3 242 250 A F E > S- M 0 245F 11 3,-2.8 3,-2.2 -114,-0.2 -59,-0.1 -0.993 80.3 -7.4-133.4 127.1 0.5 31.3 11.9 243 251 A K T 3 S- 0 0 108 -2,-0.4 -1,-0.1 1,-0.3 -115,-0.0 0.877 132.7 -57.4 52.4 37.6 3.6 32.4 13.9 244 252 A G T 3 S+ 0 0 67 1,-0.2 -1,-0.3 -80,-0.0 -3,-0.0 0.491 118.2 113.1 79.2 2.4 3.5 35.4 11.5 245 253 A Q E < S-M 242 0F 57 -3,-2.2 -3,-2.8 1,-0.1 -1,-0.2 -0.832 73.9-101.1-110.3 147.5 3.8 33.1 8.4 246 254 A P E -M 241 0F 53 0, 0.0 -5,-0.2 0, 0.0 2,-0.1 -0.280 40.2-105.9 -60.1 147.0 1.1 32.5 5.7 247 255 A S - 0 0 2 -7,-0.6 -87,-0.2 -8,-0.3 -8,-0.1 -0.494 36.3-144.9 -62.7 144.2 -0.9 29.3 5.9 248 256 A K - 0 0 63 -89,-2.3 71,-0.1 -90,-0.2 -86,-0.1 -0.731 14.2-164.6-122.4 84.4 0.5 27.0 3.1 249 257 A P - 0 0 0 0, 0.0 71,-2.3 0, 0.0 2,-0.5 -0.255 25.8-118.1 -63.8 150.6 -2.1 24.8 1.4 250 258 A F E -o 320 0H 12 -95,-0.3 2,-0.5 69,-0.2 71,-0.2 -0.836 37.1-140.6 -84.6 130.1 -1.2 21.9 -0.7 251 259 A V E -o 321 0H 0 69,-2.9 71,-2.6 -2,-0.5 2,-0.3 -0.818 14.9-160.8-104.0 130.2 -2.5 22.9 -4.2 252 260 A G E - D 0 111A 0 -141,-1.3 -141,-2.6 -2,-0.5 2,-0.6 -0.783 11.6-145.0-108.2 149.3 -4.1 20.3 -6.5 253 261 A V E - D 0 110A 3 -2,-0.3 -189,-1.3 -143,-0.2 -143,-0.2 -0.972 24.1-130.9-110.3 109.2 -4.7 20.6 -10.3 254 262 A L E -CD 63 109A 3 -145,-2.3 -146,-2.7 -2,-0.6 -145,-1.5 -0.495 40.6-178.5 -60.5 124.9 -7.9 19.0 -11.1 255 263 A S E -CD 62 107A 0 -193,-3.1 -193,-2.0 -148,-0.2 2,-0.5 -0.913 27.3-135.6-134.7 154.5 -6.8 16.7 -14.1 256 264 A A E -CD 61 106A 0 -150,-2.0 -150,-2.5 -2,-0.3 2,-0.3 -0.969 22.9-173.1-118.9 114.2 -8.5 14.3 -16.6 257 265 A G E -C 60 0A 0 -197,-3.1 -197,-2.0 -2,-0.5 2,-0.5 -0.738 19.7-131.2-103.9 154.3 -6.7 11.0 -17.3 258 266 A I E -C 59 0A 6 -181,-0.4 -181,-3.1 -154,-0.4 -199,-0.2 -0.921 29.8-112.1-108.9 127.5 -7.7 8.4 -19.8 259 267 A N B > -F 76 0B 2 -201,-2.6 3,-1.8 -2,-0.5 -183,-0.3 -0.347 17.5-138.3 -56.5 126.7 -7.8 4.7 -18.7 260 268 A A T 3 S+ 0 0 36 -185,-2.3 -1,-0.2 1,-0.3 -184,-0.2 0.728 104.3 52.3 -57.9 -21.1 -4.9 2.7 -20.3 261 269 A A T 3 S+ 0 0 43 -186,-0.3 -1,-0.3 -206,-0.2 -259,-0.2 0.449 81.5 121.1 -97.1 -1.7 -7.5 -0.1 -20.8 262 270 A S < - 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0 0 13 0, 0.0 -66,-0.1 0, 0.0 -4,-0.1 -0.213 20.6-151.7 -56.7 145.1 -16.6 26.6 -9.7 291 299 A L - 0 0 9 1,-0.3 2,-0.4 -70,-0.1 -37,-0.2 0.677 29.5-128.0 -86.5 -22.8 -13.4 25.1 -10.9 292 300 A G S S- 0 0 0 -71,-0.1 2,-0.9 -181,-0.1 -1,-0.3 -0.861 72.4 -4.5 102.0-148.6 -10.8 27.5 -9.5 293 301 A A E S-E 110 0A 1 -183,-2.5 -183,-2.7 -2,-0.4 7,-0.1 -0.736 84.1-138.7 -86.7 103.2 -8.1 29.1 -11.6 294 302 A V E -E 109 0A 0 -2,-0.9 -185,-0.3 -185,-0.2 6,-0.1 -0.329 7.5-139.0 -75.2 147.7 -8.7 27.3 -15.0 295 303 A A S S+ 0 0 0 -187,-2.2 -205,-1.8 -206,-0.1 2,-0.7 0.701 78.7 96.9 -70.6 -21.3 -5.8 26.0 -17.1 296 304 A L B >> -G 89 0C 5 -188,-0.5 4,-2.7 -207,-0.2 3,-0.7 -0.605 67.4-151.5 -79.5 110.4 -7.4 27.2 -20.3 297 305 A K H 3> S+ 0 0 10 -209,-1.8 4,-0.6 -2,-0.7 -1,-0.2 0.863 91.0 52.7 -53.3 -45.8 -5.9 30.6 -21.1 298 306 A S H 34 S+ 0 0 59 -210,-0.4 4,-0.5 1,-0.2 3,-0.3 0.861 118.1 35.5 -59.2 -40.9 -9.0 31.9 -23.1 299 307 A Y H X> S+ 0 0 2 -3,-0.7 4,-1.7 1,-0.2 3,-0.7 0.841 112.3 57.3 -87.6 -27.8 -11.4 31.1 -20.3 300 308 A E H 3X S+ 0 0 3 -4,-2.7 4,-0.9 1,-0.3 -1,-0.2 0.556 97.0 67.4 -72.5 -6.3 -9.2 31.9 -17.3 301 309 A E H 3< S+ 0 0 50 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.828 104.8 40.3 -89.7 -33.4 -8.8 35.3 -18.7 302 310 A E H X4 S+ 0 0 112 -3,-0.7 3,-1.7 -4,-0.5 4,-0.2 0.955 114.9 49.0 -69.7 -63.9 -12.4 36.0 -18.0 303 311 A L H >< S+ 0 0 21 -4,-1.7 3,-2.2 1,-0.3 6,-0.3 0.738 91.4 80.8 -52.5 -26.5 -12.8 34.4 -14.6 304 312 A A T 3< S+ 0 0 37 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.583 81.5 63.7 -70.9 -11.6 -9.6 36.1 -13.1 305 313 A K T < S+ 0 0 171 -3,-1.7 -1,-0.3 -4,-0.1 -2,-0.1 0.421 75.9 102.1 -83.3 -10.0 -11.5 39.4 -12.4 306 314 A D S <> S- 0 0 42 -3,-2.2 4,-1.7 -4,-0.2 3,-0.4 -0.680 74.1-139.8 -71.5 126.3 -13.8 37.7 -9.8 307 315 A P H > S+ 0 0 99 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.818 100.7 62.6 -63.8 -24.6 -12.4 38.7 -6.4 308 316 A R H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.912 106.9 44.0 -63.1 -38.2 -13.1 35.1 -5.2 309 317 A I H > S+ 0 0 4 -3,-0.4 4,-2.9 -6,-0.3 -1,-0.2 0.827 109.2 55.8 -73.9 -37.4 -10.7 33.8 -7.8 310 318 A A H X S+ 0 0 50 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.942 109.7 47.6 -61.7 -42.9 -8.2 36.6 -6.9 311 319 A A H X S+ 0 0 9 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.917 110.3 52.2 -56.0 -44.7 -8.4 35.3 -3.3 312 320 A T H X S+ 0 0 2 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.940 111.5 47.2 -61.3 -44.0 -7.9 31.7 -4.5 313 321 A M H X S+ 0 0 19 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.914 108.5 54.1 -63.9 -42.6 -4.9 32.8 -6.4 314 322 A E H X S+ 0 0 81 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.920 111.1 45.0 -57.9 -46.3 -3.5 34.7 -3.5 315 323 A N H X S+ 0 0 1 -4,-2.7 4,-0.6 1,-0.2 3,-0.3 0.878 111.0 54.2 -66.4 -38.2 -3.7 31.6 -1.2 316 324 A A H >< S+ 0 0 0 -4,-2.1 3,-1.1 -5,-0.2 -2,-0.2 0.897 103.5 56.2 -56.5 -41.5 -2.2 29.4 -4.0 317 325 A Q H 3< S+ 0 0 49 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.805 109.5 47.5 -65.0 -25.4 0.8 31.8 -4.3 318 326 A K H 3< S+ 0 0 74 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.590 111.2 59.6 -91.0 -10.1 1.4 31.2 -0.6 319 327 A G S << S- 0 0 4 -3,-1.1 2,-0.4 -4,-0.6 -69,-0.2 -0.274 82.3-106.2-110.7-162.4 1.1 27.4 -0.8 320 328 A E E -o 250 0H 29 -71,-2.3 -69,-2.9 -72,-0.1 2,-0.1 -0.947 26.2-112.8-135.8 130.3 2.9 24.6 -2.6 321 329 A I E -o 251 0H 15 -2,-0.4 -69,-0.2 -71,-0.2 -71,-0.0 -0.461 46.5-104.0 -58.7 135.3 1.8 22.4 -5.6 322 330 A M - 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