==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 25-OCT-07 3B55 . COMPND 2 MOLECULE: SUCCINOGLYCAN BIOSYNTHESIS PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS ATCC 14579; . AUTHOR S.M.VOROBIEV,Y.CHEN,A.P.KUZIN,J.SEETHARAMAN,H.WANG, . 408 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 315 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 6.6 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 26 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 2 1 1 0 1 1 1 0 1 0 2 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 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 PARALLEL BRIDGES PER LADDER . 3 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 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 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 36 A P 0 0 156 0, 0.0 357,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 100.1 61.6 54.0 25.7 2 37 A Y - 0 0 69 356,-0.1 2,-0.6 1,-0.1 3,-0.0 -0.292 360.0-130.8 -70.7 153.7 57.8 54.0 25.2 3 38 A N >> - 0 0 77 1,-0.1 3,-1.7 -2,-0.0 4,-1.5 -0.906 6.5-156.4-107.9 107.6 55.7 57.1 25.1 4 39 A T H 3> S+ 0 0 33 -2,-0.6 4,-1.6 1,-0.3 -1,-0.1 0.627 93.3 63.0 -58.3 -17.6 52.6 57.0 27.4 5 40 A N H 34 S+ 0 0 99 2,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.824 106.0 45.6 -76.7 -29.7 50.9 59.6 25.3 6 41 A Q H X> S+ 0 0 112 -3,-1.7 4,-1.6 2,-0.2 3,-0.6 0.824 108.1 56.9 -77.8 -34.1 51.0 57.1 22.4 7 42 A I H 3X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 3,-0.4 0.926 102.9 54.6 -61.8 -44.0 49.8 54.3 24.6 8 43 A A H 3X S+ 0 0 8 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.702 107.8 51.0 -63.1 -21.0 46.7 56.4 25.5 9 44 A K H <> S+ 0 0 139 -3,-0.6 4,-1.4 -4,-0.4 -1,-0.2 0.777 107.5 51.0 -86.3 -30.2 46.0 56.6 21.8 10 45 A W H X S+ 0 0 51 -4,-1.6 4,-1.2 -3,-0.4 -2,-0.2 0.869 108.7 53.3 -72.0 -37.4 46.3 52.9 21.3 11 46 A L H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.865 106.6 52.6 -63.7 -37.8 43.9 52.4 24.1 12 47 A E H < S+ 0 0 54 -4,-0.9 -1,-0.2 1,-0.2 3,-0.2 0.871 108.0 50.2 -66.8 -38.7 41.4 54.7 22.4 13 48 A A H < S+ 0 0 79 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.726 119.1 37.1 -73.6 -22.3 41.5 52.8 19.2 14 49 A H H < S+ 0 0 72 -4,-1.2 337,-0.3 -3,-0.2 -1,-0.2 0.435 89.9 113.1-109.2 -1.5 40.9 49.5 21.0 15 50 A A < - 0 0 9 -4,-1.0 335,-0.2 -3,-0.2 -3,-0.0 -0.505 62.6-137.2 -74.9 139.3 38.5 50.6 23.6 16 51 A K E -A 349 0A 74 333,-3.5 333,-2.3 -2,-0.2 2,-0.1 -0.878 29.9-124.9 -96.1 112.4 34.9 49.3 23.3 17 52 A P E -A 348 0A 78 0, 0.0 2,-0.6 0, 0.0 331,-0.3 -0.331 14.0-149.4 -64.7 136.1 32.6 52.4 24.1 18 53 A L E -A 347 0A 8 329,-2.8 329,-0.5 1,-0.1 328,-0.1 -0.929 2.9-156.8-105.7 120.6 30.1 52.2 26.8 19 54 A K - 0 0 173 -2,-0.6 2,-0.3 327,-0.1 -1,-0.1 0.861 66.9 -14.4 -67.1 -38.9 27.1 54.4 26.0 20 55 A T - 0 0 45 2,-0.1 -1,-0.1 38,-0.0 9,-0.0 -0.876 44.1-132.0-151.6-178.4 25.8 54.9 29.6 21 56 A T + 0 0 25 -2,-0.3 40,-0.2 -3,-0.0 39,-0.1 0.173 68.0 123.9-122.6 5.5 26.1 53.6 33.2 22 57 A N > - 0 0 81 1,-0.1 3,-1.3 38,-0.1 -2,-0.1 -0.565 58.5-145.3 -72.3 123.1 22.3 53.5 33.5 23 58 A P T 3 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 41,-0.0 0.791 96.1 51.1 -60.3 -30.4 21.2 50.0 34.6 24 59 A T T 3 S+ 0 0 114 2,-0.0 3,-0.1 3,-0.0 2,-0.1 0.460 87.0 106.8 -89.3 -1.9 17.9 50.1 32.5 25 60 A A S < S- 0 0 31 -3,-1.3 -5,-0.0 1,-0.2 -6,-0.0 -0.353 87.9 -73.4 -74.2 158.8 19.6 51.2 29.3 26 61 A S - 0 0 74 1,-0.1 3,-0.4 -2,-0.1 -1,-0.2 -0.117 33.9-140.4 -48.9 145.6 20.0 48.7 26.4 27 62 A L S > S+ 0 0 44 1,-0.2 3,-2.0 2,-0.1 4,-0.2 0.369 73.9 107.6 -91.8 4.3 22.7 46.0 27.0 28 63 A N G > + 0 0 106 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.781 68.5 60.6 -53.7 -34.6 23.8 46.2 23.4 29 64 A D G 3 S+ 0 0 25 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.652 98.9 60.7 -71.1 -11.4 27.1 48.0 24.1 30 65 A L G X S+ 0 0 3 -3,-2.0 3,-2.3 1,-0.2 4,-0.4 0.463 72.2 100.9 -92.5 -2.3 28.1 45.0 26.2 31 66 A K T X S+ 0 0 115 -3,-1.4 3,-1.6 1,-0.3 4,-0.5 0.812 70.0 66.3 -52.0 -37.1 28.0 42.6 23.3 32 67 A P T 3> S+ 0 0 49 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.692 90.4 68.9 -61.1 -13.9 31.8 42.6 22.9 33 68 A L H <> S+ 0 0 3 -3,-2.3 4,-2.7 1,-0.2 5,-0.4 0.788 79.1 77.7 -75.4 -27.5 31.9 41.0 26.3 34 69 A K H <> S+ 0 0 106 -3,-1.6 4,-2.0 -4,-0.4 -1,-0.2 0.938 104.7 31.9 -46.4 -60.0 30.4 37.7 25.0 35 70 A N H 4 S+ 0 0 137 -4,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.702 114.1 61.1 -75.1 -20.2 33.7 36.5 23.4 36 71 A X H < S+ 0 0 18 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.945 113.1 36.7 -70.0 -46.2 35.9 38.2 26.0 37 72 A V H >< S+ 0 0 5 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.868 91.0 166.2 -71.2 -39.3 34.4 36.1 28.8 38 73 A G T 3< - 0 0 27 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.1 -0.354 65.7 -21.2 63.6-130.6 34.1 33.1 26.6 39 74 A S T 3 S+ 0 0 112 -4,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 0.125 89.1 147.7-101.3 19.1 33.4 29.8 28.4 40 75 A A < - 0 0 2 -3,-1.6 261,-0.2 1,-0.1 260,-0.1 -0.241 39.5-152.9 -55.3 142.5 34.7 31.0 31.8 41 76 A S S S+ 0 0 20 259,-1.5 225,-2.3 1,-0.3 2,-0.4 0.671 79.8 29.2 -90.7 -22.4 32.9 29.4 34.8 42 77 A I E -bc 266 301A 0 258,-1.8 260,-2.1 223,-0.2 2,-0.5 -0.976 66.0-164.7-147.5 126.4 33.6 32.2 37.2 43 78 A V E -bc 267 302A 0 223,-2.2 225,-2.1 -2,-0.4 2,-0.4 -0.956 12.9-144.6-117.6 120.6 34.0 35.9 36.5 44 79 A G E -bc 268 303A 0 258,-3.0 260,-3.5 -2,-0.5 2,-0.5 -0.681 14.1-168.8 -82.3 131.5 35.5 38.4 39.0 45 80 A L E -bc 269 304A 0 223,-3.4 225,-1.5 -2,-0.4 260,-0.2 -0.861 12.2-167.1-125.0 96.0 33.8 41.8 38.8 46 81 A G E -b 270 0A 0 258,-3.2 2,-0.5 -2,-0.5 225,-0.3 -0.453 15.4-143.2 -89.1 156.3 35.8 44.3 40.8 47 82 A E E -b 271 0A 0 223,-1.3 225,-2.0 -2,-0.1 226,-0.3 -0.968 13.3-141.4-116.2 126.4 34.9 47.9 42.0 48 83 A A S S- 0 0 5 -2,-0.5 2,-0.3 223,-0.2 -1,-0.1 0.809 89.6 -0.4 -53.5 -29.6 37.7 50.5 42.1 49 84 A T > - 0 0 3 3,-0.1 3,-0.5 -3,-0.1 -1,-0.1 -0.982 63.4-127.0-156.5 156.7 36.0 51.7 45.3 50 85 A H T 3 S+ 0 0 10 322,-0.5 265,-0.1 -2,-0.3 323,-0.1 0.368 101.2 60.6 -88.6 5.2 33.0 50.9 47.5 51 86 A G T 3 S+ 0 0 0 263,-0.1 263,-2.8 321,-0.1 353,-1.3 0.066 75.1 100.4-124.3 31.1 31.7 54.4 47.4 52 87 A A B <> -H 403 0B 0 -3,-0.5 4,-1.7 351,-0.3 5,-0.1 -0.960 52.0-153.5-121.6 133.5 31.0 55.4 43.8 53 88 A H H > S+ 0 0 40 349,-2.9 4,-2.6 -2,-0.4 5,-0.2 0.933 95.5 47.0 -63.0 -53.4 27.6 55.5 42.1 54 89 A E H > S+ 0 0 28 348,-0.4 4,-2.2 1,-0.2 5,-0.2 0.808 109.1 56.0 -63.0 -32.3 28.6 54.9 38.5 55 90 A V H > S+ 0 0 0 347,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.945 110.4 44.7 -66.8 -45.7 30.9 52.0 39.5 56 91 A F H X S+ 0 0 3 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.956 115.5 46.0 -61.7 -51.7 28.0 50.2 41.1 57 92 A T H X S+ 0 0 7 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.853 111.1 52.2 -62.6 -35.3 25.5 50.8 38.3 58 93 A X H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.856 110.3 48.9 -68.7 -33.7 28.0 49.8 35.6 59 94 A K H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.825 107.7 56.0 -72.8 -30.2 28.6 46.6 37.5 60 95 A H H X S+ 0 0 9 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.933 105.7 51.0 -65.0 -46.1 24.9 46.1 37.7 61 96 A R H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.871 109.8 50.2 -59.3 -39.7 24.7 46.4 33.9 62 97 A I H X S+ 0 0 3 -4,-1.5 4,-3.3 2,-0.2 5,-0.3 0.916 108.0 51.0 -66.9 -45.2 27.4 43.7 33.5 63 98 A V H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.951 109.7 53.0 -55.3 -48.2 25.7 41.3 35.8 64 99 A K H X S+ 0 0 30 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.898 112.1 44.4 -51.6 -48.3 22.5 41.8 33.8 65 100 A Y H X>S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 5,-0.6 0.935 114.4 47.6 -64.1 -49.7 24.4 41.0 30.6 66 101 A L H X5S+ 0 0 0 -4,-3.3 6,-1.9 3,-0.2 4,-1.1 0.859 114.1 48.7 -61.8 -36.7 26.2 38.0 32.0 67 102 A V H <5S+ 0 0 9 -4,-3.1 4,-0.5 -5,-0.3 -2,-0.2 0.947 120.8 32.3 -70.5 -48.6 23.0 36.6 33.5 68 103 A S H <5S+ 0 0 52 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.623 132.5 28.8 -87.2 -11.8 20.8 36.9 30.4 69 104 A E H <5S+ 0 0 111 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.644 126.3 34.5-118.9 -23.5 23.4 36.3 27.7 70 105 A K S < -d 137 0A 3 -2,-0.3 4,-2.2 56,-0.2 58,-0.2 -0.255 36.0-132.0 -55.8 138.0 28.9 38.2 55.0 81 116 A W H > S+ 0 0 4 56,-2.8 4,-0.8 1,-0.2 54,-0.3 0.869 106.6 50.2 -59.2 -38.4 27.7 34.7 54.2 82 117 A D H >> S+ 0 0 1 58,-0.4 3,-0.6 55,-0.3 4,-0.5 0.914 109.6 48.5 -68.1 -44.0 25.1 35.0 56.9 83 118 A R H >> S+ 0 0 59 1,-0.2 3,-1.3 2,-0.2 4,-0.8 0.891 107.4 56.5 -64.6 -38.2 23.7 38.3 55.9 84 119 A A H 3X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.3 5,-0.2 0.735 89.8 73.3 -66.8 -22.4 23.4 37.2 52.2 85 120 A L H - 0 0 82 -2,-0.2 3,-1.8 1,-0.1 4,-0.5 -0.822 34.5-169.1-129.6 89.9 14.1 44.0 54.2 98 133 A P G >> S+ 0 0 9 0, 0.0 3,-1.6 0, 0.0 4,-1.5 0.818 83.1 58.2 -43.3 -50.8 17.5 43.9 52.2 99 134 A S G 34 S+ 0 0 27 1,-0.3 7,-0.1 2,-0.2 308,-0.0 0.695 97.7 64.8 -60.4 -19.1 18.9 47.2 53.5 100 135 A Q G <4 S+ 0 0 123 -3,-1.8 -1,-0.3 1,-0.2 7,-0.1 0.771 111.7 33.0 -75.1 -26.2 18.6 45.8 57.0 101 136 A H T <4 S+ 0 0 44 -3,-1.6 -2,-0.2 -4,-0.5 -1,-0.2 0.585 93.6 103.2-106.6 -14.8 21.1 43.0 56.3 102 137 A L S < S- 0 0 1 -4,-1.5 5,-0.1 1,-0.1 -23,-0.0 -0.411 84.8-100.4 -68.3 146.9 23.5 44.8 53.9 103 138 A T >> - 0 0 25 1,-0.1 3,-2.2 3,-0.1 4,-0.5 -0.421 39.2-106.9 -65.1 144.2 26.8 46.0 55.4 104 139 A P G >4 S+ 0 0 85 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.827 119.9 52.1 -40.2 -50.0 26.6 49.7 56.2 105 140 A V G 34 S+ 0 0 27 1,-0.3 209,-0.1 301,-0.1 -2,-0.0 0.736 113.9 45.9 -64.8 -21.1 28.9 50.8 53.4 106 141 A F G <4 S+ 0 0 15 -3,-2.2 2,-2.5 1,-0.1 -1,-0.3 0.358 77.2 109.0-102.2 3.5 26.6 48.8 51.0 107 142 A K << + 0 0 57 -3,-1.4 300,-2.2 -4,-0.5 2,-0.3 -0.517 57.7 128.9 -77.8 76.8 23.4 50.1 52.4 108 143 A T B > S-I 406 0C 0 -2,-2.5 4,-2.0 298,-0.3 298,-0.2 -0.896 73.4-114.2-133.0 163.1 22.9 52.1 49.2 109 144 A K H > S+ 0 0 99 296,-2.4 4,-1.9 -2,-0.3 5,-0.2 0.857 114.2 55.1 -62.3 -39.0 20.2 52.7 46.6 110 145 A E H > S+ 0 0 7 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 108.1 48.9 -62.5 -43.0 22.3 51.1 43.8 111 146 A X H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 111.5 49.2 -63.3 -44.3 22.7 47.9 45.8 112 147 A L H X S+ 0 0 34 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.813 109.9 51.7 -67.3 -28.9 18.9 47.8 46.5 113 148 A D H X S+ 0 0 80 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.861 108.4 51.6 -73.6 -36.1 18.2 48.4 42.8 114 149 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.934 113.0 44.5 -63.4 -46.6 20.5 45.5 41.9 115 150 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.882 112.6 51.9 -65.7 -39.6 18.7 43.2 44.4 116 151 A D H X S+ 0 0 45 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.895 108.4 50.9 -65.6 -39.1 15.3 44.4 43.2 117 152 A W H X S+ 0 0 38 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.915 111.1 48.9 -64.0 -40.0 16.3 43.7 39.6 118 153 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 13,-0.3 0.885 109.2 52.3 -66.0 -37.7 17.3 40.2 40.6 119 154 A R H X S+ 0 0 77 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.916 113.2 45.2 -61.9 -43.5 14.1 39.7 42.5 120 155 A Q H >X S+ 0 0 103 -4,-2.3 4,-0.7 1,-0.2 3,-0.7 0.921 110.5 52.3 -66.3 -46.5 12.2 40.7 39.4 121 156 A Y H >< S+ 0 0 25 -4,-2.9 3,-0.7 1,-0.2 6,-0.2 0.893 109.3 51.6 -57.1 -40.7 14.3 38.5 37.1 122 157 A N H 3< S+ 0 0 9 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.714 108.7 49.3 -71.1 -22.4 13.6 35.5 39.3 123 158 A A H << S+ 0 0 73 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.485 85.1 103.9 -95.5 -3.6 9.8 36.0 39.3 124 159 A N X< - 0 0 55 -4,-0.7 3,-1.5 -3,-0.7 -4,-0.0 -0.719 63.1-152.0 -82.5 118.4 9.6 36.3 35.5 125 160 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.584 88.2 71.4 -65.0 -13.5 8.2 33.0 34.1 126 161 A K T 3 S+ 0 0 169 -5,-0.1 2,-0.6 2,-0.0 -5,-0.0 0.623 81.5 78.4 -82.0 -13.8 10.1 33.6 30.8 127 162 A H < - 0 0 65 -3,-1.5 -59,-0.0 -6,-0.2 0, 0.0 -0.860 67.5-155.5 -98.0 124.5 13.5 32.9 32.3 128 163 A K S S+ 0 0 184 -2,-0.6 2,-0.3 2,-0.0 -1,-0.1 0.201 74.7 51.3 -84.0 18.4 14.3 29.2 32.7 129 164 A S - 0 0 55 2,-0.0 2,-0.3 0, 0.0 -58,-0.0 -0.994 69.7-138.5-155.3 148.1 16.8 29.9 35.5 130 165 A K - 0 0 98 -2,-0.3 2,-0.5 -7,-0.0 -38,-0.1 -0.786 17.6-127.4-108.8 151.8 17.1 31.8 38.8 131 166 A V - 0 0 2 -2,-0.3 2,-0.3 -13,-0.3 -57,-0.2 -0.854 23.3-153.2 -98.9 125.9 20.0 33.9 40.1 132 167 A R E -d 74 0A 58 -59,-2.6 -57,-2.9 -2,-0.5 2,-0.6 -0.742 6.5-139.1 -99.1 147.0 21.1 33.0 43.7 133 168 A V E +d 75 0A 3 -2,-0.3 2,-0.3 -59,-0.2 -45,-0.3 -0.924 24.6 178.8-110.8 118.0 22.8 35.4 46.0 134 169 A I E -d 76 0A 4 -59,-2.7 -57,-3.3 -2,-0.6 2,-0.5 -0.872 20.1-144.0-118.2 150.0 25.7 34.2 48.1 135 170 A G E -d 77 0A 0 -2,-0.3 -57,-0.2 -54,-0.3 -55,-0.1 -0.952 11.9-177.0-113.5 125.5 28.0 35.9 50.6 136 171 A X E + 0 0 1 -59,-2.3 119,-0.2 -2,-0.5 -56,-0.2 0.585 54.4 96.0 -96.9 -9.5 31.7 35.0 50.7 137 172 A D E -d 80 0A 6 -58,-2.7 -56,-2.8 -60,-0.5 -55,-0.3 -0.453 51.2-164.5 -83.8 156.2 32.7 37.2 53.6 138 173 A I + 0 0 0 -58,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.294 40.9 132.3-133.8 50.3 33.0 36.1 57.3 139 174 A Q S S+ 0 0 87 1,-0.1 39,-1.2 38,-0.0 2,-0.3 0.564 87.2 0.3 -77.5 -4.8 33.1 39.2 59.5 140 175 A S - 0 0 10 37,-0.2 -58,-0.4 -3,-0.1 2,-0.3 -0.978 57.0-139.3-170.8 165.1 30.5 37.4 61.6 141 176 A V - 0 0 1 34,-2.7 34,-0.2 -2,-0.3 36,-0.1 -0.762 31.9-164.3-137.4 85.6 28.3 34.2 61.9 142 177 A N >> - 0 0 52 -2,-0.3 3,-1.0 34,-0.1 4,-0.8 -0.047 35.7 -93.6 -67.7 174.4 24.9 35.2 63.0 143 178 A E H 3> S+ 0 0 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157 -3,-1.0 -2,-0.2 -4,-0.2 39,-0.1 0.608 125.0 20.6 -65.1 -13.0 25.9 16.1 70.1 164 199 A V H X> S+ 0 0 2 -3,-1.6 3,-2.2 -4,-0.5 4,-2.1 0.692 95.6 94.8-124.0 -37.5 25.6 19.6 68.5 165 200 A E H 3X S+ 0 0 69 -4,-3.8 4,-0.6 1,-0.3 -2,-0.1 0.682 99.3 24.7 -30.1 -52.9 22.8 21.6 70.3 166 201 A E H 3X S+ 0 0 138 -4,-0.5 4,-0.9 2,-0.2 -1,-0.3 0.387 109.1 69.3-106.1 8.7 24.9 23.5 72.8 167 202 A K H <> S+ 0 0 63 -3,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.867 112.2 38.3 -78.9 -41.2 28.3 23.5 71.1 168 203 A I H X S+ 0 0 9 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.805 110.8 60.7 -73.5 -31.4 26.4 25.8 68.8 169 204 A K H < S+ 0 0 129 -4,-0.6 -1,-0.2 -5,-0.4 -2,-0.2 0.834 109.8 41.6 -66.5 -31.9 24.6 27.4 71.8 170 205 A G H < S+ 0 0 21 -4,-0.9 4,-0.5 2,-0.1 -1,-0.2 0.777 113.8 53.4 -84.6 -28.1 28.0 28.4 73.1 171 206 A L H >X S+ 0 0 0 -4,-1.4 4,-1.1 1,-0.2 3,-0.6 0.840 94.3 70.6 -74.8 -34.5 29.3 29.5 69.7 172 207 A I G >< S+ 0 0 32 -4,-2.3 3,-0.9 1,-0.2 4,-0.4 0.919 97.6 46.2 -50.3 -57.2 26.4 31.8 68.9 173 208 A P G 34 S+ 0 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T 3< S+ 0 0 94 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.241 87.7 102.6 -88.7 15.2 38.5 39.7 72.7 184 219 A L S < S- 0 0 27 -3,-1.4 2,-0.2 1,-0.1 -3,-0.1 -0.461 85.0 -91.7 -92.3 166.3 38.4 36.1 74.0 185 220 A T >> - 0 0 62 -2,-0.1 4,-2.3 1,-0.1 3,-0.9 -0.538 34.8-115.8 -78.4 146.6 41.2 34.3 75.9 186 221 A K H 3> S+ 0 0 137 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.906 119.9 50.4 -43.6 -51.2 43.6 32.3 73.7 187 222 A E H 3> S+ 0 0 116 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.830 110.2 51.9 -59.9 -32.8 42.4 29.2 75.4 188 223 A E H <> S+ 0 0 85 -3,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.888 107.0 49.4 -71.8 -42.5 38.8 30.2 74.7 189 224 A K H X S+ 0 0 34 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.870 110.0 53.0 -65.7 -37.4 39.2 30.8 71.0 190 225 A E H X S+ 0 0 116 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.828 106.4 51.9 -68.0 -33.5 40.9 27.4 70.6 191 226 A K H X S+ 0 0 103 -4,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.867 111.5 47.2 -70.5 -36.0 38.1 25.6 72.3 192 227 A Y H X S+ 0 0 27 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.861 107.1 56.6 -72.9 -34.9 35.6 27.2 70.0 193 228 A V H X S+ 0 0 12 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.895 110.8 45.7 -61.5 -37.6 37.8 26.4 67.0 194 229 A L H X S+ 0 0 78 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.828 107.5 56.4 -73.9 -33.5 37.5 22.8 68.2 195 230 A D H X S+ 0 0 15 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.903 110.2 46.0 -64.4 -39.5 33.7 23.1 68.7 196 231 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.924 111.3 50.6 -68.3 -45.8 33.3 24.1 65.1 197 232 A K H X S+ 0 0 104 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.912 111.3 50.8 -57.3 -42.7 35.6 21.4 63.8 198 233 A T H X S+ 0 0 51 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.874 106.8 52.5 -63.5 -40.9 33.6 18.9 65.8 199 234 A I H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.947 113.8 43.3 -61.6 -47.7 30.2 20.2 64.4 200 235 A S H X S+ 0 0 11 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.897 113.0 52.6 -63.3 -42.2 31.5 19.7 60.9 201 236 A A H X S+ 0 0 37 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.892 106.9 54.2 -61.5 -38.5 33.0 16.4 61.8 202 237 A L H X S+ 0 0 6 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.911 108.7 46.8 -63.0 -43.2 29.7 15.3 63.2 203 238 A L H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.876 111.4 53.9 -66.4 -35.5 27.8 16.1 60.0 204 239 A E H >< S+ 0 0 79 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.872 110.5 42.4 -68.4 -41.2 30.5 14.3 57.9 205 240 A E H 3< S+ 0 0 134 -4,-2.0 3,-0.2 1,-0.2 -1,-0.2 0.707 116.0 48.6 -80.6 -19.0 30.4 10.9 59.7 206 241 A N T >< S+ 0 0 24 -4,-1.2 3,-0.9 -5,-0.2 4,-0.3 0.098 77.9 121.2-102.7 19.3 26.6 10.9 60.0 207 242 A K G X >S+ 0 0 73 -3,-0.8 3,-1.9 1,-0.3 5,-1.4 0.914 71.7 47.9 -46.7 -56.9 26.5 11.7 56.3 208 243 A S G > 5S+ 0 0 92 1,-0.3 3,-0.5 -3,-0.2 -1,-0.3 0.728 110.6 51.9 -61.8 -24.2 24.5 8.6 55.3 209 244 A Y G < 5S+ 0 0 147 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.340 111.1 50.2 -94.0 7.4 22.0 9.1 58.1 210 245 A L G < 5S- 0 0 0 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.113 119.7-100.0-128.6 18.2 21.5 12.7 56.9 211 246 A N T X 5 + 0 0 91 -3,-0.5 3,-1.2 -55,-0.1 6,-0.4 0.977 55.4 178.4 57.6 56.1 20.8 12.2 53.2 212 247 A G T 3 < + 0 0 8 -5,-1.4 -4,-0.1 1,-0.2 -1,-0.1 0.696 65.5 63.5 -64.8 -25.9 24.4 13.1 52.4 213 248 A K T 3 S+ 0 0 205 -6,-0.1 -1,-0.2 -5,-0.1 -2,-0.1 0.578 88.8 100.1 -77.8 -5.8 24.5 12.7 48.7 214 249 A S S <> S- 0 0 27 -3,-1.2 4,-0.8 1,-0.1 0, 0.0 -0.268 80.8-123.0 -79.8 165.4 21.9 15.5 48.4 215 250 A K H > S+ 0 0 178 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.682 109.8 58.5 -78.9 -21.0 22.3 19.1 47.5 216 251 A E H > S+ 0 0 127 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.831 102.9 52.1 -78.4 -33.1 20.7 20.3 50.7 217 252 A F H > S+ 0 0 2 -6,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.819 104.4 59.2 -69.9 -28.0 23.3 18.4 52.8 218 253 A A H X S+ 0 0 19 -4,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.931 105.4 48.3 -63.6 -44.6 25.9 20.2 50.7 219 254 A W H X S+ 0 0 53 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.939 110.9 49.9 -59.6 -49.9 24.4 23.5 51.9 220 255 A I H X S+ 0 0 14 -4,-2.0 4,-2.0 1,-0.2 5,-0.2 0.929 108.6 52.6 -55.4 -49.0 24.4 22.5 55.5 221 256 A K H X S+ 0 0 77 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.873 110.4 48.2 -55.4 -40.8 28.0 21.3 55.3 222 257 A Q H X S+ 0 0 15 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.885 106.2 56.4 -69.4 -39.7 29.1 24.7 53.9 223 258 A N H X S+ 0 0 3 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.884 110.3 45.9 -58.4 -39.0 27.2 26.6 56.6 224 259 A A H X S+ 0 0 1 -4,-2.0 4,-1.5 1,-0.2 3,-0.5 0.874 106.7 59.3 -70.7 -36.9 29.2 24.6 59.2 225 260 A R H X S+ 0 0 81 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.834 98.7 59.3 -59.4 -33.4 32.3 25.4 57.2 226 261 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.889 101.3 53.5 -63.8 -39.4 31.6 29.1 57.7 227 262 A I H X S+ 0 0 0 -4,-0.9 4,-2.5 -3,-0.5 -1,-0.2 0.878 110.2 47.1 -63.3 -40.0 31.8 28.6 61.5 228 263 A E H X S+ 0 0 31 -4,-1.5 4,-2.8 2,-0.2 5,-0.3 0.890 110.6 52.8 -68.1 -39.5 35.3 27.0 61.1 229 264 A Q H X S+ 0 0 11 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.921 113.0 44.3 -61.5 -43.7 36.4 29.8 58.8 230 265 A F H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.952 117.4 42.7 -67.0 -50.4 35.3 32.4 61.3 231 266 A T H < S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.902 115.9 47.6 -64.8 -42.9 36.8 30.8 64.4 232 267 A T H >< S+ 0 0 50 -4,-2.8 3,-1.1 -5,-0.2 -1,-0.2 0.922 109.9 52.1 -65.4 -45.6 40.1 29.7 62.8 233 268 A X H >< S+ 0 0 10 -4,-1.9 3,-0.7 -5,-0.3 -1,-0.2 0.879 115.2 41.8 -58.3 -40.1 40.7 33.1 61.2 234 269 A L T 3< S+ 0 0 11 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.392 102.9 67.2 -90.7 3.3 40.2 34.9 64.5 235 270 A A T < S+ 0 0 34 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.194 72.4 137.3-102.9 10.8 42.2 32.3 66.6 236 271 A T < - 0 0 10 -3,-0.7 -3,-0.1 1,-0.1 8,-0.0 -0.360 57.9-115.5 -61.4 131.4 45.3 33.4 64.8 237 272 A P > - 0 0 37 0, 0.0 3,-1.7 0, 0.0 6,-0.2 -0.319 17.3-119.3 -68.9 150.6 48.3 33.7 67.1 238 273 A P T 3 S+ 0 0 122 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.674 109.3 66.7 -63.6 -17.5 50.0 37.1 67.7 239 274 A D T 3 S+ 0 0 112 1,-0.3 3,-0.1 2,-0.1 -3,-0.0 0.479 105.4 43.4 -83.9 -0.2 53.3 35.9 66.3 240 275 A K X + 0 0 97 -3,-1.7 3,-1.6 1,-0.1 4,-0.3 -0.420 67.3 159.6-139.2 58.6 51.7 35.6 62.9 241 276 A P T > S+ 0 0 83 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.746 70.5 62.1 -53.7 -30.2 49.7 38.8 62.5 242 277 A A T >> S+ 0 0 47 1,-0.2 4,-1.7 2,-0.2 3,-0.8 0.760 86.5 74.4 -72.1 -22.7 49.6 38.5 58.7 243 278 A D H <> S+ 0 0 51 -3,-1.6 4,-2.7 1,-0.2 5,-0.3 0.691 80.9 70.6 -63.7 -19.6 47.7 35.2 58.9 244 279 A F H <> S+ 0 0 60 -3,-1.0 4,-1.3 -4,-0.3 -1,-0.2 0.939 108.3 35.7 -60.8 -44.6 44.5 37.0 59.8 245 280 A Y H <> S+ 0 0 96 -3,-0.8 4,-2.2 -4,-0.4 5,-0.2 0.819 114.4 55.6 -77.4 -35.7 44.3 38.4 56.3 246 281 A L H X S+ 0 0 42 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.957 113.4 42.5 -62.2 -48.6 45.7 35.3 54.6 247 282 A K H X S+ 0 0 47 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.835 108.6 61.8 -66.3 -33.4 42.9 33.2 56.2 248 283 A H H X S+ 0 0 18 -4,-1.3 4,-1.9 -5,-0.3 -2,-0.2 0.972 111.9 34.2 -58.8 -55.3 40.4 35.9 55.5 249 284 A D H X S+ 0 0 0 -4,-2.2 4,-1.9 38,-0.3 -1,-0.2 0.691 111.1 62.3 -76.5 -17.2 40.8 35.7 51.7 250 285 A I H X S+ 0 0 56 -4,-1.4 4,-2.6 -5,-0.2 -1,-0.2 0.954 108.2 45.8 -67.5 -45.4 41.4 32.0 51.7 251 286 A A H X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.913 111.5 49.4 -60.7 -47.9 37.9 31.7 53.2 252 287 A X H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.894 112.4 50.5 -59.1 -39.1 36.3 34.2 50.7 253 288 A Y H X S+ 0 0 31 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.927 110.0 49.2 -61.8 -48.6 38.0 32.2 47.9 254 289 A E H X S+ 0 0 58 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.860 111.2 49.4 -61.1 -39.2 36.7 28.9 49.3 255 290 A N H X S+ 0 0 0 -4,-2.5 4,-1.5 -119,-0.2 -1,-0.2 0.855 112.9 46.4 -70.8 -34.8 33.2 30.3 49.5 256 291 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.853 115.0 47.9 -74.0 -35.7 33.3 31.6 45.9 257 292 A K H X S+ 0 0 43 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.921 107.8 54.5 -70.1 -44.2 34.8 28.3 44.8 258 293 A W H X S+ 0 0 21 -4,-2.9 4,-2.3 1,-0.2 5,-0.3 0.902 107.8 51.8 -55.2 -42.2 32.1 26.3 46.6 259 294 A T H X>S+ 0 0 0 -4,-1.5 4,-3.6 2,-0.2 5,-0.7 0.948 112.1 43.3 -60.5 -53.4 29.4 28.3 44.8 260 295 A E H X5S+ 0 0 25 -4,-1.7 4,-1.3 3,-0.2 -2,-0.2 0.922 116.4 48.8 -59.8 -45.0 30.8 27.7 41.3 261 296 A E H <5S+ 0 0 89 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.842 125.9 25.8 -67.3 -33.8 31.4 24.0 42.1 262 297 A H H <5S+ 0 0 95 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.745 134.8 27.4-102.5 -26.7 28.0 23.3 43.5 263 298 A L H <5S- 0 0 49 -4,-3.6 2,-0.3 -5,-0.3 -3,-0.2 0.540 100.4-127.3-114.4 -9.6 25.7 25.9 41.9 264 299 A G << + 0 0 25 -4,-1.3 -1,-0.3 -5,-0.7 2,-0.2 -0.713 65.9 25.3 110.5-155.8 27.3 26.7 38.5 265 300 A K S S- 0 0 63 -194,-0.3 -192,-1.8 -2,-0.3 -191,-1.1 -0.359 74.5-167.3 -57.7 121.1 28.5 29.7 36.6 266 301 A T E -be 42 74A 0 -225,-2.3 -223,-2.2 -194,-0.2 2,-0.5 -0.852 24.9-148.4-122.3 152.6 29.2 32.4 39.2 267 302 A I E -be 43 75A 1 -193,-2.4 -191,-3.1 -2,-0.3 2,-0.9 -0.969 13.7-152.5-117.1 116.2 29.9 36.1 39.3 268 303 A V E -be 44 76A 0 -225,-2.1 -223,-3.4 -2,-0.5 2,-0.6 -0.790 14.0-169.0 -95.0 104.5 32.3 37.3 42.1 269 304 A W E +be 45 77A 7 -193,-3.0 -191,-1.5 -2,-0.9 2,-0.3 -0.841 34.3 103.3 -96.8 114.9 31.3 40.9 43.0 270 305 A G E -b 46 0A 0 -225,-1.5 -223,-1.3 -2,-0.6 5,-0.1 -0.915 68.9 -40.0-166.8-169.0 33.8 42.6 45.2 271 306 A H E >> -b 47 0A 10 -225,-0.3 3,-2.0 -2,-0.3 4,-0.9 -0.345 54.7-112.8 -70.0 149.7 36.6 45.2 45.5 272 307 A N H >> S+ 0 0 8 -225,-2.0 4,-1.6 1,-0.3 3,-0.7 0.858 117.4 59.2 -49.1 -38.3 39.3 45.3 42.8 273 308 A G H 34 S+ 0 0 0 -226,-0.3 7,-0.3 1,-0.2 8,-0.3 0.693 104.9 47.6 -67.7 -19.7 41.7 44.1 45.4 274 309 A H H <4 S+ 0 0 17 -3,-2.0 16,-0.5 15,-0.1 -1,-0.2 0.560 119.0 36.3 -99.1 -9.4 39.8 40.9 46.1 275 310 A V H << S+ 0 0 0 -4,-0.9 -2,-0.2 -3,-0.7 -231,-0.2 0.490 87.7 110.0-116.9 -9.4 39.2 39.8 42.5 276 311 A S S < S- 0 0 0 -4,-1.6 116,-0.2 -5,-0.2 18,-0.2 -0.313 71.0-130.2 -65.7 152.2 42.5 40.9 40.9 277 312 A K S S+ 0 0 39 114,-2.8 2,-0.3 113,-0.1 114,-0.2 0.554 92.5 48.2 -82.0 -6.8 44.8 38.0 39.8 278 313 A T S S- 0 0 39 113,-0.1 2,-0.9 110,-0.1 12,-0.1 -0.874 98.7 -96.7-127.7 162.0 47.7 39.7 41.6 279 314 A N + 0 0 28 -2,-0.3 3,-0.4 1,-0.2 -6,-0.1 -0.705 45.4 158.4 -85.4 103.2 48.0 41.2 45.1 280 315 A X S S+ 0 0 6 -2,-0.9 3,-0.2 -7,-0.3 -1,-0.2 0.445 75.8 61.1 -99.8 -2.1 47.4 45.0 45.0 281 316 A L >> + 0 0 7 -8,-0.3 4,-2.6 1,-0.2 3,-2.5 0.017 63.3 131.2-108.3 22.0 46.5 44.9 48.7 282 317 A S T 34 + 0 0 87 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.621 52.9 80.5 -54.0 -13.4 49.9 43.6 49.7 283 318 A F T 34 S+ 0 0 82 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.670 121.7 1.6 -70.7 -11.1 50.2 46.3 52.4 284 319 A I T <4 S+ 0 0 61 -3,-2.5 -39,-0.2 1,-0.2 -2,-0.2 0.506 122.5 71.0-138.7 -38.0 48.0 44.1 54.6 285 320 A Y < - 0 0 21 -4,-2.6 -1,-0.2 1,-0.1 3,-0.2 -0.718 52.1-162.3 -94.0 134.9 47.2 40.9 52.7 286 321 A P S S- 0 0 56 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.853 87.5 -4.0 -76.7 -35.7 49.8 38.2 52.0 287 322 A K S S- 0 0 60 -6,-0.1 -38,-0.3 -9,-0.1 2,-0.3 -0.974 73.4-139.9-152.9 150.6 47.5 36.8 49.3 288 323 A V >> - 0 0 0 -2,-0.3 3,-2.0 -3,-0.2 4,-1.2 -0.797 31.1-103.9-116.9 159.4 44.0 37.8 48.1 289 324 A A H 3> S+ 0 0 1 -2,-0.3 4,-2.4 1,-0.3 3,-0.2 0.822 116.6 61.6 -45.9 -42.5 41.0 35.7 46.9 290 325 A G H 3> S+ 0 0 0 -16,-0.5 4,-2.1 -17,-0.2 -1,-0.3 0.752 100.6 52.6 -60.4 -28.7 41.7 36.5 43.3 291 326 A Q H <> S+ 0 0 42 -3,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.871 110.2 47.4 -76.0 -35.6 45.1 34.8 43.4 292 327 A H H X S+ 0 0 16 -4,-1.2 4,-1.8 -3,-0.2 5,-0.2 0.896 113.6 49.6 -69.4 -41.1 43.6 31.6 44.8 293 328 A L H X S+ 0 0 1 -4,-2.4 4,-3.4 2,-0.2 5,-0.5 0.952 113.1 43.6 -63.3 -51.4 40.9 31.7 42.2 294 329 A A H X S+ 0 0 23 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.916 113.6 54.3 -59.3 -42.0 43.2 32.2 39.2 295 330 A E H < S+ 0 0 147 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.829 117.7 34.3 -61.3 -35.9 45.5 29.6 40.7 296 331 A Y H < S+ 0 0 100 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.882 128.7 33.0 -89.6 -40.6 42.8 27.0 40.9 297 332 A Y H >< S- 0 0 10 -4,-3.4 3,-1.8 -5,-0.2 2,-0.3 0.803 76.7-179.2 -88.1 -29.8 40.7 27.9 37.8 298 333 A G G >< S+ 0 0 39 -4,-2.5 3,-1.6 -5,-0.5 -1,-0.2 -0.496 78.6 1.5 66.7-127.3 43.3 29.1 35.4 299 334 A K G 3 S+ 0 0 198 -2,-0.3 -1,-0.3 1,-0.3 -260,-0.1 0.537 124.6 74.1 -72.3 -3.4 41.6 30.1 32.2 300 335 A R G < S+ 0 0 94 -3,-1.8 -258,-1.8 -6,-0.2 -259,-1.5 0.646 87.9 67.8 -83.2 -12.7 38.2 29.3 33.8 301 336 A Y E < -c 42 0A 2 -3,-1.6 2,-0.5 -261,-0.2 -258,-0.2 -0.935 66.9-168.8-108.4 124.4 38.4 32.4 35.9 302 337 A V E -c 43 0A 3 -260,-2.1 -258,-3.0 -2,-0.5 2,-0.6 -0.948 8.8-151.8-112.9 132.7 38.1 35.7 34.1 303 338 A S E -c 44 0A 0 -2,-0.5 90,-2.0 -260,-0.2 91,-2.0 -0.919 11.4-174.5-112.8 119.9 38.8 38.9 36.1 304 339 A I E -cf 45 394A 1 -260,-3.5 -258,-3.2 -2,-0.6 2,-0.3 -0.939 7.5-173.0-111.7 127.2 37.2 42.2 35.3 305 340 A G E - f 0 395A 0 89,-2.6 91,-2.5 -2,-0.5 2,-0.3 -0.857 14.2-139.1-119.3 155.7 38.3 45.3 37.1 306 341 A T E - f 0 396A 1 -2,-0.3 2,-0.3 89,-0.2 91,-0.2 -0.808 17.7-167.7-109.7 153.2 36.9 48.9 37.1 307 342 A S E - f 0 397A 3 89,-2.4 91,-2.6 -2,-0.3 2,-0.2 -0.985 1.7-158.0-141.5 152.5 39.0 52.0 37.0 308 343 A V E - f 0 398A 2 -2,-0.3 91,-0.2 89,-0.2 62,-0.2 -0.592 15.4-179.8-121.7-177.7 38.4 55.7 37.6 309 344 A Y E + 0 0 31 89,-0.5 21,-0.5 1,-0.5 2,-0.3 0.348 65.3 10.9-145.4 -68.6 39.9 59.1 36.8 310 345 A E E S+ f 0 400A 96 89,-2.2 91,-2.0 88,-0.2 -1,-0.5 -0.861 84.1 59.4-124.5 159.2 38.0 62.2 38.1 311 346 A G E - f 0 401A 16 17,-0.4 17,-3.0 -2,-0.3 2,-0.3 -0.780 69.8 -68.6 127.7-171.3 35.2 62.8 40.5 312 347 A Q E -J 327 0D 101 89,-1.5 2,-0.3 -2,-0.3 15,-0.2 -0.898 38.2-179.8-125.8 155.1 34.1 62.2 44.1 313 348 A Y E -J 326 0D 2 13,-1.6 13,-2.2 -2,-0.3 2,-0.3 -0.955 33.9 -92.5-149.1 163.9 33.2 59.1 46.1 314 349 A N E + 0 0 4 -263,-2.8 2,-0.3 -2,-0.3 -263,-0.1 -0.610 51.6 151.5 -81.5 140.0 32.1 58.0 49.6 315 350 A V E -J 323 0D 1 8,-2.8 8,-2.2 -2,-0.3 10,-0.5 -0.964 51.0 -91.8-160.7 156.3 34.9 57.1 52.0 316 351 A K E -Jk 322 375D 86 58,-2.7 60,-1.9 -2,-0.3 6,-0.3 -0.642 48.0-141.7 -77.1 129.8 35.3 57.2 55.8 317 352 A N > - 0 0 35 4,-2.7 3,-2.0 -2,-0.4 59,-0.1 0.049 36.5 -74.7 -80.0-168.8 36.9 60.5 56.9 318 353 A S T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.683 135.1 49.7 -61.6 -19.4 39.5 61.4 59.6 319 354 A D T 3 S- 0 0 144 2,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.400 121.3-107.5 -99.3 -0.7 36.7 60.8 62.2 320 355 A G S < S+ 0 0 46 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.626 72.4 139.4 85.8 13.2 35.7 57.4 60.8 321 356 A E - 0 0 128 -6,-0.1 -4,-2.7 1,-0.0 2,-0.6 -0.777 53.0-125.8 -96.3 136.3 32.4 58.6 59.2 322 357 A F E +J 316 0D 46 -2,-0.4 -6,-0.3 -6,-0.3 -8,-0.1 -0.685 56.0 119.9 -81.1 117.8 31.3 57.3 55.8 323 358 A G E S-J 315 0D 3 -8,-2.2 -8,-2.8 -2,-0.6 2,-2.5 -0.958 75.2 -65.4-163.5 179.9 30.5 60.2 53.5 324 359 A P E S+ 0 0 71 0, 0.0 -10,-0.2 0, 0.0 -8,-0.1 -0.284 82.4 120.5 -75.5 58.3 31.3 62.1 50.2 325 360 A Y E + 0 0 113 -2,-2.5 2,-0.4 -10,-0.5 -11,-0.2 0.348 42.4 101.4-103.3 4.3 34.8 63.1 51.4 326 361 A G E -J 313 0D 0 -13,-2.2 -13,-1.6 -3,-0.3 2,-0.4 -0.766 44.6-179.7 -96.1 134.1 36.7 61.4 48.6 327 362 A T E -J 312 0D 79 -2,-0.4 2,-0.2 -15,-0.2 -15,-0.2 -0.995 26.5-126.0-131.8 125.9 38.1 63.4 45.7 328 363 A L - 0 0 17 -17,-3.0 -17,-0.4 -2,-0.4 2,-0.3 -0.525 23.0-176.1 -73.8 134.5 40.0 61.8 42.9 329 364 A K + 0 0 139 -2,-0.2 2,-1.5 -19,-0.1 3,-0.4 -0.735 9.7 170.0-130.7 80.2 43.4 63.3 42.1 330 365 A S + 0 0 22 -21,-0.5 -2,-0.1 -2,-0.3 11,-0.0 -0.505 28.3 136.8 -91.4 65.8 44.9 61.5 39.1 331 366 A D + 0 0 116 -2,-1.5 -1,-0.2 2,-0.0 -3,-0.0 0.792 39.9 92.5 -80.0 -34.6 47.7 64.1 38.8 332 367 A D > - 0 0 50 -3,-0.4 3,-1.5 1,-0.1 6,-0.5 -0.523 61.8-157.0 -70.7 115.0 50.5 61.5 38.2 333 368 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.481 91.0 59.5 -69.9 -2.0 51.0 61.0 34.4 334 369 A N T 3 S+ 0 0 91 4,-0.0 2,-0.2 5,-0.0 -2,-0.1 0.462 85.2 99.3-102.8 -4.8 52.6 57.6 35.1 335 370 A S S <> S- 0 0 8 -3,-1.5 4,-2.2 32,-0.1 34,-0.2 -0.517 79.6-125.5 -84.2 151.7 49.5 56.2 36.8 336 371 A Y H > S+ 0 0 0 32,-2.0 4,-2.9 1,-0.2 5,-0.3 0.825 110.3 60.0 -60.0 -33.5 47.0 53.9 35.0 337 372 A N H > S+ 0 0 6 31,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.949 108.2 41.0 -60.8 -53.0 44.3 56.4 36.1 338 373 A Y H > S+ 0 0 66 -6,-0.5 4,-0.5 2,-0.2 -2,-0.2 0.944 117.8 48.2 -60.9 -50.6 45.8 59.4 34.3 339 374 A I H >< S+ 0 0 3 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.937 117.3 38.8 -58.7 -52.6 46.7 57.3 31.2 340 375 A F H >< S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.794 109.7 66.7 -68.2 -25.2 43.3 55.6 30.8 341 376 A G H 3< S+ 0 0 9 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.621 89.4 63.9 -70.1 -12.8 41.8 59.0 31.8 342 377 A Q T << S+ 0 0 77 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.3 0.502 74.3 109.6 -88.9 -4.7 43.1 60.5 28.6 343 378 A V S < S- 0 0 4 -3,-1.4 2,-2.0 -4,-0.2 -334,-0.1 -0.577 76.3-127.3 -71.0 129.7 40.9 58.3 26.4 344 379 A K S S+ 0 0 182 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.302 75.5 96.2 -80.1 59.1 38.1 60.5 24.9 345 380 A K - 0 0 59 -2,-2.0 54,-0.3 1,-0.1 3,-0.1 -0.992 69.9-137.5-147.2 135.4 35.2 58.4 26.0 346 381 A D S S- 0 0 119 -2,-0.3 53,-2.3 1,-0.2 54,-0.4 0.909 92.1 -1.7 -56.7 -46.9 32.9 58.8 29.1 347 382 A Q E S+AG 18 398A 29 -329,-0.5 -329,-2.8 51,-0.2 2,-0.3 -0.991 75.2 147.8-146.3 147.0 33.0 55.0 29.7 348 383 A F E -AG 17 397A 0 49,-1.9 49,-2.8 -2,-0.3 2,-0.3 -0.976 25.8-142.9-170.1 162.3 34.5 52.1 27.9 349 384 A F E -AG 16 396A 1 -333,-2.3 -333,-3.5 -2,-0.3 2,-0.3 -0.890 14.4-170.6-132.0 166.5 36.0 48.6 28.4 350 385 A I E - G 0 395A 3 45,-1.8 45,-2.3 -2,-0.3 2,-0.9 -0.993 30.1-114.0-158.0 150.4 38.9 46.8 26.8 351 386 A D E > - G 0 394A 16 -337,-0.3 3,-1.4 -2,-0.3 43,-0.2 -0.782 23.4-170.2 -89.8 105.5 40.5 43.3 26.7 352 387 A L G > S+ 0 0 11 41,-1.5 3,-1.2 -2,-0.9 -1,-0.2 0.751 83.2 67.3 -65.9 -24.3 44.0 43.8 28.3 353 388 A R G 3 S+ 0 0 117 40,-1.1 -1,-0.3 1,-0.2 41,-0.1 0.679 97.0 55.1 -70.6 -15.9 44.9 40.3 27.1 354 389 A K G < S+ 0 0 148 -3,-1.4 -1,-0.2 39,-0.2 -2,-0.2 0.382 78.4 128.6 -98.2 3.1 44.8 41.5 23.5 355 390 A A < - 0 0 4 -3,-1.2 2,-0.2 -4,-0.1 -3,-0.0 -0.258 36.5-169.7 -61.8 144.8 47.2 44.4 23.9 356 391 A N >> + 0 0 93 4,-0.0 4,-1.1 5,-0.0 3,-0.7 -0.749 42.0 6.7-127.1 174.9 50.2 44.7 21.4 357 392 A G H >> S- 0 0 57 -2,-0.2 4,-1.4 1,-0.2 3,-0.8 -0.066 122.3 -17.9 53.6-148.2 53.4 46.7 21.2 358 393 A V H 3> S+ 0 0 69 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.794 133.4 64.1 -61.1 -30.4 54.6 49.0 23.9 359 394 A T H <> S+ 0 0 2 -3,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.875 101.3 50.9 -62.2 -37.4 51.1 49.0 25.4 360 395 A K H < S+ 0 0 73 -4,-1.4 3,-0.8 1,-0.2 -2,-0.2 0.904 112.6 51.6 -64.9 -44.9 54.9 45.8 27.8 362 397 A W H >< S+ 0 0 1 -4,-3.1 3,-1.3 1,-0.2 26,-0.2 0.859 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