==== 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 MEMBRANE PROTEIN 16-APR-09 3H3G . COMPND 2 MOLECULE: FUSION PROTEIN OF MALTOSE-BINDING PERIPLASMIC DOM . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI, HOMO SAPIENS; . AUTHOR A.A.PIOSZAK,H.E.XU . 493 4 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23848.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 24 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 1 0 2 2 1 2 3 0 2 0 0 2 1 1 0 0 0 0 1 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 . 7 3 0 2 4 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 . 4 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 -344 A A 0 0 74 0, 0.0 2,-0.3 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 141.2 32.6 -16.3 0.6 2 -343 A K - 0 0 125 1,-0.1 54,-0.1 56,-0.1 55,-0.0 -0.776 360.0 -73.8-116.0 157.3 32.4 -19.6 -1.3 3 -342 A I + 0 0 31 52,-0.5 2,-0.3 54,-0.5 -1,-0.1 -0.237 55.1 167.1 -62.0 134.6 29.4 -21.4 -2.8 4 -341 A E > - 0 0 113 3,-0.3 3,-1.4 -3,-0.0 2,-0.1 -0.993 43.5 -98.2-145.2 140.8 26.9 -22.9 -0.4 5 -340 A E T 3 S+ 0 0 161 -2,-0.3 3,-0.1 1,-0.2 268,-0.1 -0.400 109.3 23.6 -56.9 129.0 23.3 -24.2 -0.8 6 -339 A G T 3 S+ 0 0 29 1,-0.3 29,-0.5 266,-0.1 2,-0.3 0.563 109.9 75.6 95.1 8.6 20.9 -21.5 0.4 7 -338 A K < - 0 0 76 -3,-1.4 2,-0.4 27,-0.2 -1,-0.3 -0.931 67.9-132.4-140.9 160.6 23.0 -18.4 -0.1 8 -337 A L E -a 36 0A 0 27,-2.8 29,-2.8 -2,-0.3 2,-0.4 -0.966 10.8-167.1-119.9 139.5 24.2 -16.3 -3.1 9 -336 A V E -a 37 0A 5 -2,-0.4 51,-1.9 27,-0.2 50,-1.6 -0.991 13.3-167.6-119.3 130.2 27.7 -15.1 -3.9 10 -335 A I E -ab 38 60A 0 27,-2.8 29,-3.2 -2,-0.4 2,-0.4 -0.965 8.7-156.9-122.7 135.5 27.9 -12.4 -6.6 11 -334 A W E +ab 39 61A 4 49,-2.5 51,-2.4 -2,-0.4 2,-0.3 -0.954 21.5 161.1-111.3 132.8 31.1 -11.2 -8.4 12 -333 A I - 0 0 4 27,-2.0 51,-0.1 -2,-0.4 2,-0.1 -0.969 45.5 -86.2-143.1 154.2 31.1 -7.8 -10.1 13 -332 A N > - 0 0 38 -2,-0.3 3,-2.4 49,-0.3 5,-0.2 -0.350 32.7-124.0 -64.0 140.6 33.9 -5.5 -11.2 14 -331 A G T 3 S+ 0 0 33 1,-0.3 -1,-0.1 27,-0.2 4,-0.1 0.615 109.2 63.2 -62.2 -16.6 35.4 -3.1 -8.6 15 -330 A D T 3 S+ 0 0 39 2,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.593 95.5 76.7 -79.1 -12.4 34.7 -0.1 -10.9 16 -329 A K S < S- 0 0 21 -3,-2.4 2,-2.2 1,-0.1 3,-0.3 -0.345 102.9 -80.9 -95.6 177.0 30.9 -0.8 -10.7 17 -328 A G > + 0 0 2 281,-0.4 4,-2.5 1,-0.2 5,-0.2 -0.352 62.3 151.2 -79.8 62.4 28.2 -0.1 -8.0 18 -327 A Y H > S+ 0 0 87 -2,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.779 71.9 54.5 -64.7 -32.0 28.9 -3.1 -5.8 19 -326 A N H > S+ 0 0 89 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.927 109.9 47.3 -64.9 -44.5 27.8 -1.3 -2.6 20 -325 A G H > S+ 0 0 0 274,-0.3 4,-1.7 2,-0.2 274,-0.2 0.930 112.4 49.2 -62.5 -43.3 24.5 -0.5 -4.3 21 -324 A L H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.904 107.3 55.8 -61.6 -40.9 24.2 -4.2 -5.5 22 -323 A A H X S+ 0 0 30 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.877 103.9 54.7 -55.1 -41.4 25.0 -5.2 -1.9 23 -322 A E H X S+ 0 0 107 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.906 107.0 49.0 -62.1 -41.9 22.0 -3.1 -0.7 24 -321 A V H X S+ 0 0 8 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.911 109.8 54.5 -60.3 -41.3 19.7 -5.0 -3.1 25 -320 A G H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.819 107.7 48.3 -60.1 -34.3 21.3 -8.2 -1.7 26 -319 A K H X S+ 0 0 129 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.851 108.1 53.6 -77.7 -35.1 20.4 -7.2 1.9 27 -318 A K H X S+ 0 0 95 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.919 109.0 50.6 -60.2 -44.9 16.8 -6.3 0.8 28 -317 A F H X S+ 0 0 3 -4,-2.2 4,-1.7 1,-0.2 6,-0.5 0.919 110.7 48.4 -56.8 -47.7 16.6 -9.9 -0.6 29 -316 A E H X S+ 0 0 70 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.865 109.5 52.7 -61.6 -38.8 17.9 -11.3 2.7 30 -315 A K H < S+ 0 0 187 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.857 116.0 40.8 -65.3 -33.3 15.4 -9.3 4.7 31 -314 A D H < S+ 0 0 84 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.708 134.1 14.8 -86.5 -23.8 12.6 -10.6 2.5 32 -313 A T H < S- 0 0 66 -4,-1.7 -3,-0.2 2,-0.2 -2,-0.2 0.471 90.9-117.1-131.7 -10.2 13.6 -14.3 2.2 33 -312 A G S < S+ 0 0 61 -4,-2.3 2,-0.7 -5,-0.3 -4,-0.2 0.459 72.2 133.1 72.1 2.7 16.3 -15.1 4.8 34 -311 A I - 0 0 30 -6,-0.5 -1,-0.2 -27,-0.1 -27,-0.2 -0.776 53.8-136.2 -89.5 114.3 18.7 -15.8 1.9 35 -310 A K - 0 0 82 -2,-0.7 -27,-2.8 -29,-0.5 2,-0.4 -0.456 17.0-163.7 -69.5 138.3 22.1 -14.2 2.4 36 -309 A V E -a 8 0A 6 -29,-0.2 2,-0.4 -11,-0.2 -27,-0.2 -0.994 2.4-166.7-127.5 119.3 23.6 -12.5 -0.6 37 -308 A T E -a 9 0A 31 -29,-2.8 -27,-2.8 -2,-0.4 2,-0.5 -0.923 4.3-157.9-109.5 131.6 27.3 -11.6 -0.6 38 -307 A V E +a 10 0A 28 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.959 15.5 177.0-111.8 123.2 28.8 -9.2 -3.2 39 -306 A E E -a 11 0A 51 -29,-3.2 -27,-2.0 -2,-0.5 -2,-0.0 -0.877 23.8-155.8-120.1 156.3 32.6 -9.4 -4.0 40 -305 A H - 0 0 83 -2,-0.3 -26,-0.2 -29,-0.2 -29,-0.1 -0.514 22.1-175.6-128.8 71.0 34.8 -7.6 -6.5 41 -304 A P > - 0 0 19 0, 0.0 3,-0.9 0, 0.0 -27,-0.2 -0.255 34.1-102.2 -65.3 147.3 37.8 -9.9 -7.0 42 -303 A D T 3 S+ 0 0 123 1,-0.2 5,-0.1 2,-0.1 4,-0.0 -0.433 104.4 7.3 -66.9 144.1 40.6 -8.5 -9.2 43 -302 A K T >> S+ 0 0 119 1,-0.1 4,-2.2 3,-0.1 3,-1.1 0.879 79.8 163.7 54.0 43.5 40.6 -10.0 -12.8 44 -301 A L H <> + 0 0 0 -3,-0.9 4,-2.5 1,-0.3 -1,-0.1 0.820 67.4 60.2 -65.2 -31.3 37.3 -11.7 -12.0 45 -300 A E H 34 S+ 0 0 15 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.735 113.4 37.2 -69.1 -23.2 36.6 -12.2 -15.8 46 -299 A E H <> S+ 0 0 72 -3,-1.1 4,-0.8 2,-0.1 -2,-0.2 0.730 115.3 54.4 -93.8 -31.8 39.8 -14.3 -16.0 47 -298 A K H X S+ 0 0 86 -4,-2.2 4,-1.8 1,-0.2 3,-0.3 0.891 94.5 70.4 -69.9 -39.9 39.4 -15.9 -12.6 48 -297 A F H >X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.3 3,-0.6 0.888 102.4 39.0 -51.4 -56.9 35.9 -17.2 -13.3 49 -296 A P H 34 S+ 0 0 52 0, 0.0 4,-0.5 0, 0.0 -1,-0.3 0.826 115.4 55.4 -64.3 -29.7 36.8 -20.0 -15.8 50 -295 A Q H 3< S+ 0 0 139 -4,-0.8 -2,-0.2 -3,-0.3 -3,-0.1 0.779 121.7 24.6 -68.7 -30.9 39.9 -20.9 -13.8 51 -294 A V H S+ 0 0 24 -4,-1.8 5,-2.2 -3,-0.6 4,-0.8 0.540 96.1 84.5-119.3 -11.7 38.1 -21.6 -10.5 52 -293 A A T ><5S+ 0 0 4 -4,-2.2 3,-0.9 -5,-0.3 5,-0.3 0.925 94.6 51.2 -56.2 -46.4 34.4 -22.4 -11.3 53 -292 A A T 345S+ 0 0 91 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.773 107.6 52.3 -61.8 -29.4 35.3 -26.1 -11.8 54 -291 A T T 345S- 0 0 95 -3,-0.3 -1,-0.2 -4,-0.1 -2,-0.2 0.581 120.8-105.9 -88.0 -10.2 37.2 -26.3 -8.5 55 -290 A G T <<5S+ 0 0 30 -3,-0.9 -52,-0.5 -4,-0.8 -3,-0.2 0.542 93.3 106.2 101.2 11.7 34.2 -24.9 -6.6 56 -289 A D < + 0 0 80 -5,-2.2 -4,-0.2 -54,-0.1 -3,-0.1 0.231 50.4 102.9-108.5 10.5 35.5 -21.4 -5.9 57 -288 A G S S- 0 0 1 -6,-0.5 -54,-0.5 -5,-0.3 2,-0.2 -0.266 72.8-104.2 -81.9 178.9 33.4 -19.4 -8.4 58 -287 A P - 0 0 0 0, 0.0 -48,-0.2 0, 0.0 210,-0.2 -0.522 20.7-119.5 -92.4 169.9 30.4 -17.3 -7.5 59 -286 A D S S+ 0 0 0 -50,-1.6 209,-2.1 1,-0.2 2,-0.4 0.820 103.0 27.6 -70.5 -35.9 26.7 -18.1 -8.1 60 -285 A I E S-bC 10 267A 0 -51,-1.9 -49,-2.5 207,-0.2 2,-0.4 -0.997 70.3-163.3-132.9 131.4 26.4 -15.1 -10.3 61 -284 A I E -bC 11 266A 0 205,-2.2 205,-2.5 -2,-0.4 2,-0.5 -0.954 5.8-155.8-117.9 132.7 29.0 -13.2 -12.4 62 -283 A F E + C 0 265A 3 -51,-2.4 -49,-0.3 -2,-0.4 2,-0.3 -0.924 34.6 128.0-106.4 125.1 28.6 -9.7 -13.7 63 -282 A W E - C 0 264A 44 201,-1.9 201,-2.6 -2,-0.5 5,-0.1 -0.961 64.4 -73.1-158.4 163.0 30.6 -8.7 -16.8 64 -281 A A E > - C 0 263A 12 -2,-0.3 3,-1.3 199,-0.3 4,-0.3 -0.328 54.0-108.2 -54.4 149.2 30.1 -7.1 -20.2 65 -280 A H G >> S+ 0 0 2 197,-1.6 3,-1.3 1,-0.2 4,-0.5 0.654 105.3 81.3 -59.4 -18.6 28.4 -9.6 -22.5 66 -279 A D G 34 S+ 0 0 9 1,-0.3 4,-0.4 2,-0.2 3,-0.4 0.819 90.9 49.7 -66.6 -29.3 31.6 -10.1 -24.7 67 -278 A R G <> S+ 0 0 33 -3,-1.3 4,-1.2 1,-0.2 -1,-0.3 0.656 94.2 78.1 -78.5 -14.6 33.1 -12.7 -22.3 68 -277 A F H <> S+ 0 0 0 -3,-1.3 4,-2.5 -4,-0.3 -1,-0.2 0.749 81.1 60.0 -77.4 -29.8 30.0 -14.8 -22.0 69 -276 A G H X S+ 0 0 0 264,-0.8 4,-2.6 -4,-0.5 -1,-0.2 0.901 106.7 51.0 -61.1 -40.6 30.1 -16.8 -25.2 70 -275 A G H > S+ 0 0 19 -4,-0.4 4,-1.5 264,-0.3 -2,-0.2 0.908 111.2 47.1 -59.5 -44.7 33.5 -18.2 -24.1 71 -274 A Y H <>S+ 0 0 9 -4,-1.2 5,-2.6 2,-0.2 6,-0.4 0.900 113.1 48.6 -66.1 -44.1 32.0 -19.2 -20.7 72 -273 A A H ><5S+ 0 0 22 -4,-2.5 3,-2.0 3,-0.2 -2,-0.2 0.922 108.9 53.5 -59.5 -44.7 29.0 -20.8 -22.3 73 -272 A Q H 3<5S+ 0 0 125 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.864 108.3 50.8 -56.0 -37.0 31.3 -22.7 -24.8 74 -271 A S T 3<5S- 0 0 80 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.386 118.8-113.8 -84.5 0.3 33.2 -24.0 -21.8 75 -270 A G T < 5S+ 0 0 52 -3,-2.0 -3,-0.2 -4,-0.1 -2,-0.1 0.838 79.8 125.0 69.3 38.9 30.0 -25.2 -20.2 76 -269 A L < + 0 0 23 -5,-2.6 193,-2.4 -6,-0.1 2,-0.4 0.510 53.8 69.3-106.3 -8.2 30.2 -22.7 -17.2 77 -268 A L B S-F 268 0B 19 -6,-0.4 191,-0.2 191,-0.3 2,-0.2 -0.929 71.9-131.5-118.6 138.8 26.8 -21.0 -17.5 78 -267 A A - 0 0 15 189,-2.5 189,-0.4 -2,-0.4 2,-0.2 -0.581 33.5-110.2 -76.2 143.5 23.3 -22.1 -16.9 79 -266 A E - 0 0 115 -2,-0.2 2,-0.4 187,-0.1 26,-0.2 -0.598 36.5-128.4 -70.0 138.8 20.7 -21.4 -19.6 80 -265 A I - 0 0 8 24,-2.2 24,-0.3 -2,-0.2 26,-0.1 -0.765 14.9-158.0 -98.2 141.2 18.4 -18.7 -18.3 81 -264 A T + 0 0 86 -2,-0.4 2,-0.3 2,-0.0 -1,-0.0 -0.463 24.5 160.2-117.8 54.6 14.6 -19.3 -18.5 82 -263 A P - 0 0 7 0, 0.0 22,-0.1 0, 0.0 -2,-0.0 -0.615 40.2-120.5 -75.4 138.3 12.9 -15.9 -18.3 83 -262 A D > - 0 0 103 -2,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.246 26.5-100.7 -73.0 170.7 9.3 -16.0 -19.6 84 -261 A K H > S+ 0 0 161 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.855 122.6 58.1 -60.3 -38.3 8.2 -13.9 -22.6 85 -260 A A H 4 S+ 0 0 66 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.889 109.5 43.6 -59.4 -42.0 6.5 -11.5 -20.1 86 -259 A F H >4 S+ 0 0 8 -3,-0.3 3,-1.4 1,-0.2 4,-0.4 0.910 111.8 53.8 -69.6 -39.7 9.8 -10.8 -18.4 87 -258 A Q H >< S+ 0 0 55 -4,-2.4 3,-1.7 1,-0.3 -2,-0.2 0.879 98.9 63.5 -60.9 -38.5 11.7 -10.6 -21.7 88 -257 A D T 3< S+ 0 0 98 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.639 93.2 65.2 -58.1 -18.4 9.2 -7.9 -22.9 89 -256 A K T < S+ 0 0 107 -3,-1.4 217,-2.3 -4,-0.3 218,-0.4 0.666 98.6 58.6 -82.2 -19.3 10.4 -5.6 -20.1 90 -255 A L B < S-G 305 0C 1 -3,-1.7 215,-0.2 -4,-0.4 214,-0.1 -0.815 99.3 -90.2-110.7 155.4 13.9 -5.3 -21.5 91 -254 A Y >> - 0 0 61 213,-1.6 3,-1.6 -2,-0.3 4,-1.3 -0.388 31.2-128.6 -62.9 133.6 15.0 -4.0 -25.0 92 -253 A P H 3> S+ 0 0 86 0, 0.0 4,-2.0 0, 0.0 3,-0.4 0.869 107.2 58.2 -45.8 -47.0 15.2 -6.7 -27.7 93 -252 A F H 3> S+ 0 0 85 1,-0.2 4,-1.1 2,-0.2 -2,-0.1 0.723 101.7 55.9 -64.8 -21.6 18.8 -5.7 -28.7 94 -251 A T H <> S+ 0 0 0 -3,-1.6 4,-0.7 2,-0.2 -1,-0.2 0.891 105.8 49.9 -76.8 -38.9 20.0 -6.4 -25.1 95 -250 A W H >< S+ 0 0 8 -4,-1.3 3,-1.2 -3,-0.4 -2,-0.2 0.904 106.7 57.2 -59.0 -42.3 18.6 -10.0 -25.3 96 -249 A D H >< S+ 0 0 92 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.864 99.8 58.7 -55.6 -39.0 20.5 -10.4 -28.6 97 -248 A A H 3< S+ 0 0 8 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.770 110.0 42.7 -64.1 -24.5 23.7 -9.4 -26.9 98 -247 A V T << S+ 0 0 1 -3,-1.2 7,-2.6 -4,-0.7 2,-0.5 0.105 88.1 110.3-113.1 19.0 23.3 -12.4 -24.4 99 -246 A R E < +H 104 0D 92 -3,-1.4 2,-0.4 5,-0.2 5,-0.2 -0.844 41.2 178.5 -95.1 127.8 22.2 -15.0 -27.0 100 -245 A Y E > S-H 103 0D 34 3,-3.4 3,-1.4 -2,-0.5 -3,-0.0 -0.975 71.1 -15.8-135.1 121.8 24.7 -17.8 -27.7 101 -244 A N T 3 S- 0 0 126 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.910 129.6 -52.9 45.1 47.0 23.8 -20.6 -30.1 102 -243 A G T 3 S+ 0 0 67 1,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.527 119.8 106.2 75.7 6.0 20.2 -19.6 -29.9 103 -242 A K E < S-H 100 0D 110 -3,-1.4 -3,-3.4 -24,-0.0 2,-0.5 -0.952 71.8-123.3-119.2 139.5 20.1 -19.8 -26.1 104 -241 A L E +H 99 0D 16 -2,-0.4 -24,-2.2 -24,-0.3 -5,-0.2 -0.689 30.5 174.4 -77.2 124.9 20.0 -17.0 -23.6 105 -240 A I + 0 0 10 -7,-2.6 162,-0.3 -2,-0.5 2,-0.3 0.269 59.0 20.4-120.7 8.4 23.0 -17.3 -21.3 106 -239 A A S S- 0 0 0 -8,-0.4 160,-0.2 160,-0.2 -1,-0.2 -0.964 72.7-109.9-166.8 156.9 22.8 -14.1 -19.2 107 -238 A Y E -D 265 0A 0 158,-2.7 158,-2.7 -2,-0.3 2,-0.3 -0.856 37.4-130.5 -87.4 126.1 20.4 -11.4 -18.0 108 -237 A P E +D 264 0A 0 0, 0.0 156,-0.3 0, 0.0 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104.0 52.2 -69.9 -31.3 30.1 9.5 -9.2 235 -110 A N H > S+ 0 0 58 -3,-0.4 4,-1.8 -4,-0.3 -1,-0.2 0.873 110.9 49.1 -66.1 -35.7 33.8 9.9 -8.2 236 -109 A I H X>S+ 0 0 3 -4,-1.2 4,-0.9 2,-0.2 5,-0.9 0.891 108.4 53.8 -67.6 -38.5 33.8 13.0 -10.4 237 -108 A D H ><5S+ 0 0 81 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.937 110.0 47.4 -56.3 -46.5 30.6 14.2 -8.6 238 -107 A T H 3<5S+ 0 0 115 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.865 108.1 55.7 -62.0 -38.8 32.5 13.7 -5.3 239 -106 A S H 3<5S- 0 0 39 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.671 100.2-138.6 -69.4 -19.1 35.5 15.6 -6.6 240 -105 A K T <<5 + 0 0 188 -4,-0.9 2,-0.2 -3,-0.9 -3,-0.1 0.629 45.6 155.4 65.0 14.7 33.3 18.6 -7.4 241 -104 A V < - 0 0 24 -5,-0.9 2,-1.1 -22,-0.1 -1,-0.2 -0.528 52.0-119.0 -64.8 139.9 35.1 19.1 -10.7 242 -103 A N + 0 0 72 -2,-0.2 -122,-3.1 -3,-0.1 -121,-0.6 -0.749 53.0 170.5 -82.9 95.2 32.8 21.0 -13.2 243 -102 A Y E -J 119 0E 26 -2,-1.1 2,-0.3 -124,-0.3 -124,-0.2 -0.755 27.5-162.0-116.7 156.9 32.6 18.4 -15.9 244 -101 A G E -J 118 0E 9 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37.1 13.1 -39.9 254 -91 A Q B < S-N 251 0H 87 -3,-1.9 -3,-3.0 1,-0.1 -1,-0.2 -0.794 72.8-104.2-104.3 137.5 35.6 9.8 -38.8 255 -90 A P - 0 0 47 0, 0.0 -5,-0.2 0, 0.0 2,-0.2 -0.190 38.2-104.9 -55.7 144.9 33.8 9.3 -35.4 256 -89 A S - 0 0 2 -7,-0.4 -95,-0.2 -8,-0.3 -8,-0.1 -0.521 35.6-143.2 -64.9 143.0 35.6 7.4 -32.7 257 -88 A K - 0 0 62 -97,-2.2 -94,-0.2 -98,-0.2 71,-0.2 -0.772 14.9-164.1-122.3 81.9 34.0 3.9 -32.6 258 -87 A P - 0 0 0 0, 0.0 71,-1.8 0, 0.0 2,-0.5 -0.376 25.8-118.4 -66.3 145.2 33.8 2.5 -29.0 259 -86 A F E -o 329 0I 5 -103,-0.3 2,-0.5 69,-0.2 -145,-0.3 -0.768 35.9-137.3 -78.2 123.5 33.1 -1.2 -28.6 260 -85 A V E -o 330 0I 3 69,-3.2 71,-2.2 -2,-0.5 2,-0.4 -0.777 17.8-159.8 -96.4 128.4 29.8 -1.2 -26.7 261 -84 A G E - D 0 112A 0 -149,-1.9 -149,-3.4 -2,-0.5 2,-0.7 -0.825 13.0-148.5-109.8 142.4 29.3 -3.5 -23.8 262 -83 A V E - D 0 111A 0 -2,-0.4 -197,-1.6 -151,-0.2 -151,-0.2 -0.947 24.4-134.2-104.7 105.9 26.1 -4.8 -22.2 263 -82 A L E +CD 64 110A 3 -153,-2.6 -154,-3.6 -2,-0.7 -153,-1.2 -0.463 39.3 179.6 -58.0 127.1 26.8 -5.4 -18.5 264 -81 A S E -CD 63 108A 0 -201,-2.6 -201,-1.9 -156,-0.3 2,-0.5 -0.939 29.4-135.7-135.2 160.2 25.2 -8.8 -18.0 265 -80 A A E -CD 62 107A 0 -158,-2.7 -158,-2.7 -2,-0.3 2,-0.3 -0.961 21.8-172.6-122.4 117.7 24.7 -11.3 -15.2 266 -79 A G E -C 61 0A 0 -205,-2.5 -205,-2.2 -2,-0.5 2,-0.5 -0.741 20.8-126.7-104.2 155.2 25.2 -15.0 -15.8 267 -78 A I E -C 60 0A 6 -189,-0.4 -189,-2.5 -162,-0.3 -207,-0.2 -0.899 27.0-117.0-102.7 126.6 24.5 -17.9 -13.5 268 -77 A N B > -F 77 0B 4 -209,-2.1 3,-1.7 -2,-0.5 -191,-0.3 -0.452 13.3-141.5 -58.2 124.8 27.3 -20.4 -12.7 269 -76 A A T 3 S+ 0 0 34 -193,-2.4 -192,-0.1 1,-0.3 -1,-0.1 0.738 102.3 59.0 -59.9 -25.0 26.5 -24.0 -14.0 270 -75 A A T 3 S+ 0 0 61 -194,-0.4 -1,-0.3 3,-0.0 -211,-0.1 0.549 82.5 112.4 -83.3 -5.7 28.1 -25.3 -10.8 271 -74 A S < - 0 0 4 -3,-1.7 3,-0.5 -212,-0.2 -266,-0.0 -0.471 53.9-161.1 -73.5 131.2 25.7 -23.4 -8.6 272 -73 A P S S+ 0 0 77 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.291 89.5 66.9 -84.5 9.7 23.1 -25.4 -6.5 273 -72 A N > + 0 0 6 1,-0.1 4,-2.8 2,-0.1 5,-0.2 -0.077 55.2 129.1-118.8 33.8 21.2 -22.0 -6.3 274 -71 A K H > S+ 0 0 86 -3,-0.5 4,-2.4 1,-0.2 5,-0.1 0.883 76.1 47.4 -64.1 -39.1 20.1 -21.4 -9.9 275 -70 A E H > S+ 0 0 106 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.906 113.2 47.5 -67.6 -44.2 16.4 -20.8 -9.0 276 -69 A L H > S+ 0 0 36 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.879 111.7 52.3 -60.2 -40.4 17.3 -18.4 -6.1 277 -68 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.933 110.4 47.6 -61.6 -47.2 19.7 -16.6 -8.5 278 -67 A K H X S+ 0 0 39 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.910 111.6 50.7 -55.1 -48.8 17.0 -16.3 -11.1 279 -66 A E H X S+ 0 0 73 -4,-2.5 4,-2.2 1,-0.2 5,-0.4 0.900 111.4 47.5 -61.6 -42.4 14.6 -15.0 -8.5 280 -65 A F H X>S+ 0 0 0 -4,-2.5 5,-2.5 3,-0.2 4,-1.4 0.912 116.1 43.7 -63.5 -45.4 17.1 -12.4 -7.2 281 -64 A L H <>S+ 0 0 0 -4,-2.4 5,-2.9 3,-0.2 -2,-0.2 0.958 121.2 37.9 -67.7 -49.1 17.9 -11.1 -10.7 282 -63 A E H <5S+ 0 0 24 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.915 128.4 28.8 -69.7 -42.7 14.4 -11.0 -12.1 283 -62 A N H <5S+ 0 0 99 -4,-2.2 -3,-0.2 -5,-0.3 -1,-0.2 0.582 132.5 23.3-103.5 -12.8 12.5 -9.7 -9.0 284 -61 A Y T ><5S+ 0 0 48 -4,-1.4 3,-0.5 -5,-0.4 6,-0.4 0.729 126.8 32.1-116.2 -55.7 15.0 -7.7 -7.1 285 -60 A L T 3 S- 0 0 41 -2,-2.6 4,-2.4 -3,-0.5 5,-0.3 -0.848 90.2-105.1-125.1 167.5 13.4 -3.6 -11.2 288 -57 A D H > S+ 0 0 77 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.926 123.2 44.4 -55.5 -47.8 13.2 0.2 -11.0 289 -56 A E H > S+ 0 0 127 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.894 114.0 49.1 -65.0 -43.4 14.2 0.1 -7.3 290 -55 A G H > S+ 0 0 4 -6,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.955 114.9 43.0 -63.9 -52.1 17.0 -2.5 -7.8 291 -54 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 -6,-0.6 -1,-0.2 0.855 112.5 53.9 -63.2 -37.5 18.6 -0.7 -10.7 292 -53 A E H X S+ 0 0 83 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.910 104.9 54.7 -63.5 -43.1 18.2 2.7 -9.0 293 -52 A A H X S+ 0 0 22 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.934 115.8 39.0 -53.4 -46.5 20.0 1.3 -5.8 294 -51 A V H >X S+ 0 0 5 -4,-1.9 4,-2.2 -274,-0.2 3,-0.9 0.949 115.2 51.5 -68.4 -49.6 23.0 0.3 -8.1 295 -50 A N H 3< S+ 0 0 28 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.835 104.2 58.0 -58.6 -38.3 22.9 3.4 -10.3 296 -49 A K H 3< S+ 0 0 154 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.803 110.6 44.7 -60.1 -33.6 22.9 5.7 -7.2 297 -48 A D H << S- 0 0 39 -3,-0.9 -2,-0.2 -4,-0.9 -1,-0.1 0.978 140.3 -9.7 -73.5 -65.7 26.2 4.0 -6.2 298 -47 A K S < S- 0 0 34 -4,-2.2 -281,-0.4 -281,-0.1 -1,-0.3 -0.987 87.2-104.4-134.4 126.9 27.9 4.1 -9.6 299 -46 A P - 0 0 13 0, 0.0 -66,-0.1 0, 0.0 -4,-0.1 -0.206 21.9-155.7 -52.7 133.5 25.9 5.0 -12.8 300 -45 A L - 0 0 8 1,-0.3 2,-0.4 -9,-0.1 -37,-0.2 0.708 29.6-132.8 -78.9 -22.6 25.0 2.0 -14.9 301 -44 A G - 0 0 0 -71,-0.2 2,-0.7 -189,-0.1 -1,-0.3 -0.833 70.0 -5.9 97.7-146.8 24.7 3.9 -18.2 302 -43 A A E S-E 111 0A 11 -191,-1.8 -191,-3.6 -2,-0.4 7,-0.1 -0.769 84.0-138.4 -85.6 113.7 21.6 3.2 -20.3 303 -42 A V E -E 110 0A 2 -2,-0.7 -193,-0.3 -193,-0.3 6,-0.1 -0.298 10.9-130.7 -78.7 153.8 19.8 0.3 -18.6 304 -41 A A S S+ 0 0 0 -195,-2.7 -213,-1.6 -214,-0.1 2,-0.5 0.763 86.7 91.8 -66.2 -30.4 18.1 -2.7 -20.3 305 -40 A L B > -G 90 0C 4 -196,-0.5 4,-2.4 -215,-0.2 -215,-0.2 -0.612 68.2-154.7 -72.0 116.0 14.9 -2.2 -18.3 306 -39 A K H > S+ 0 0 70 -217,-2.3 4,-2.0 -2,-0.5 -1,-0.2 0.888 88.5 57.6 -61.6 -44.3 12.6 0.1 -20.4 307 -38 A S H 4 S+ 0 0 54 -218,-0.4 4,-0.4 1,-0.2 -1,-0.2 0.887 116.2 35.1 -56.6 -43.5 10.6 1.5 -17.5 308 -37 A Y H >> S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 3,-0.8 0.835 111.5 60.0 -79.3 -35.4 13.8 2.9 -15.8 309 -36 A E H 3X S+ 0 0 9 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.828 95.9 65.1 -60.4 -30.8 15.7 3.7 -19.0 310 -35 A E H 3< S+ 0 0 124 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.854 107.7 39.7 -61.7 -33.5 12.8 6.1 -19.8 311 -34 A E H X4 S+ 0 0 114 -3,-0.8 3,-0.7 -4,-0.4 -2,-0.2 0.843 116.7 49.4 -79.5 -38.7 13.8 8.2 -16.7 312 -33 A L H >< S+ 0 0 21 -4,-2.1 3,-2.2 1,-0.2 6,-0.3 0.842 95.7 71.4 -70.2 -32.3 17.6 7.8 -17.3 313 -32 A A T 3< S+ 0 0 42 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.1 0.773 87.7 66.9 -54.0 -28.8 17.3 8.8 -21.0 314 -31 A K T < S+ 0 0 151 -3,-0.7 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