==== 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 OXIDOREDUCTASE 20-OCT-06 2NLO . COMPND 2 MOLECULE: SHIKIMATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM GLUTAMICUM ATCC 13032; . AUTHOR J.SCHOEPE,K.NIEFIND,D.SCHOMBURG . 281 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12581.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.2 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.4 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 . 14 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 1 0 2 2 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 3 2 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 PARALLEL BRIDGES PER LADDER . 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 22 A D 0 0 169 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.6 -4.7 45.2 8.5 2 23 A S - 0 0 90 28,-0.1 2,-0.4 1,-0.1 30,-0.2 -0.301 360.0-132.5 -71.5 154.2 -2.6 46.2 5.5 3 24 A I E -a 32 0A 6 28,-2.7 30,-2.4 19,-0.1 2,-0.5 -0.915 15.4-165.0-115.9 132.8 0.6 48.2 6.0 4 25 A L E +a 33 0A 44 -2,-0.4 58,-3.1 56,-0.2 59,-0.9 -0.975 20.0 156.7-124.7 118.8 1.6 51.3 4.0 5 26 A L E -ab 34 63A 0 28,-2.9 30,-2.4 -2,-0.5 2,-0.3 -0.854 12.3-178.8-134.9 164.4 5.2 52.6 4.1 6 27 A G E -ab 35 64A 0 57,-0.8 59,-3.1 28,-0.3 2,-0.4 -0.982 23.4-126.5-158.7 174.8 7.5 54.7 2.0 7 28 A L E -ab 36 65A 12 28,-2.0 30,-2.8 -2,-0.3 2,-0.6 -0.988 17.5-156.4-129.1 118.1 10.9 56.2 1.6 8 29 A I E +ab 37 66A 0 57,-2.6 59,-2.6 -2,-0.4 2,-0.3 -0.846 48.7 86.6 -97.8 124.1 11.5 59.9 1.1 9 30 A G E S-a 38 0A 0 28,-1.8 30,-2.3 -2,-0.6 2,-0.4 -0.957 70.8 -74.9 176.3-165.6 14.7 60.8 -0.6 10 31 A Q S S+ 0 0 69 58,-1.8 58,-0.1 -2,-0.3 28,-0.1 -0.976 97.2 13.4-125.6 136.8 16.5 61.2 -3.9 11 32 A G S S+ 0 0 57 -2,-0.4 3,-0.3 1,-0.1 -1,-0.2 0.960 70.0 156.2 71.4 57.0 17.8 58.6 -6.4 12 33 A L > + 0 0 8 1,-0.2 3,-1.8 -3,-0.2 -1,-0.1 0.310 29.8 109.8-101.1 6.0 16.0 55.7 -4.9 13 34 A D T 3 S+ 0 0 128 1,-0.3 -1,-0.2 3,-0.0 23,-0.0 0.857 84.7 41.9 -55.9 -40.4 15.7 53.3 -7.8 14 35 A L T 3 S+ 0 0 125 -3,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.347 80.9 131.6 -93.1 7.4 18.2 50.7 -6.4 15 36 A S < - 0 0 22 -3,-1.8 4,-0.3 1,-0.2 21,-0.1 -0.378 40.7-164.3 -61.7 135.2 17.0 50.8 -2.8 16 37 A R S > S+ 0 0 33 1,-0.1 4,-1.8 2,-0.1 -1,-0.2 0.445 72.6 88.1 -94.2 -3.3 16.5 47.3 -1.4 17 38 A T H > S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.928 81.2 53.5 -67.1 -46.2 14.5 48.7 1.5 18 39 A P H > S+ 0 0 4 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.942 110.8 46.8 -54.7 -47.0 11.0 48.6 -0.2 19 40 A A H > S+ 0 0 27 -4,-0.3 4,-2.5 1,-0.2 5,-0.3 0.884 109.2 54.9 -61.7 -40.2 11.3 44.9 -1.2 20 41 A M H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.932 113.6 40.9 -60.4 -44.9 12.5 44.0 2.3 21 42 A H H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.912 114.2 51.7 -71.7 -42.1 9.5 45.5 4.0 22 43 A E H X S+ 0 0 68 -4,-2.7 4,-2.0 -5,-0.3 10,-0.3 0.937 113.3 44.5 -59.7 -46.5 7.0 44.3 1.4 23 44 A A H X S+ 0 0 39 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.878 114.7 47.7 -66.7 -39.9 8.2 40.7 1.7 24 45 A E H X S+ 0 0 2 -4,-1.8 4,-1.3 -5,-0.3 -1,-0.2 0.897 110.4 51.1 -73.7 -38.9 8.3 40.7 5.5 25 46 A G H ><>S+ 0 0 0 -4,-2.6 5,-2.7 2,-0.2 3,-0.7 0.964 113.9 45.2 -58.2 -47.9 4.9 42.2 5.9 26 47 A L H ><5S+ 0 0 119 -4,-2.0 3,-2.0 -5,-0.3 -2,-0.2 0.899 107.9 56.9 -63.5 -40.8 3.5 39.6 3.5 27 48 A A H 3<5S+ 0 0 50 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.777 107.7 50.7 -59.5 -26.6 5.4 36.8 5.3 28 49 A Q T <<5S- 0 0 59 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.208 127.2-100.0 -99.4 14.2 3.6 37.9 8.5 29 50 A G T < 5S+ 0 0 65 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.635 87.4 116.1 85.1 17.0 0.2 37.8 6.9 30 51 A R < - 0 0 65 -5,-2.7 -2,-0.2 -6,-0.2 -1,-0.2 -0.954 66.3-127.7-126.6 114.5 -0.2 41.5 6.2 31 52 A A - 0 0 61 -2,-0.5 -28,-2.7 -5,-0.1 2,-0.4 -0.399 37.5-168.3 -57.5 128.1 -0.4 43.0 2.7 32 53 A T E -a 3 0A 13 -10,-0.3 2,-0.4 -30,-0.2 -28,-0.2 -0.988 19.3-169.8-133.0 127.8 2.3 45.6 2.6 33 54 A V E -a 4 0A 59 -30,-2.4 -28,-2.9 -2,-0.4 2,-0.5 -0.969 4.0-176.0-113.7 132.6 3.1 48.4 0.1 34 55 A Y E -a 5 0A 3 -2,-0.4 2,-0.4 -30,-0.2 -28,-0.3 -0.949 12.9-164.2-130.5 107.7 6.3 50.3 0.4 35 56 A R E -a 6 0A 145 -30,-2.4 -28,-2.0 -2,-0.5 2,-0.2 -0.786 19.9-128.0 -98.0 135.6 6.7 53.1 -2.1 36 57 A R E -a 7 0A 101 -2,-0.4 2,-0.3 -30,-0.2 -28,-0.2 -0.567 17.0-163.2 -65.3 138.8 9.7 55.1 -3.1 37 58 A I E +a 8 0A 26 -30,-2.8 -28,-1.8 -2,-0.2 2,-0.6 -0.760 20.1 178.6-126.1 78.6 9.0 58.8 -2.8 38 59 A D E > -a 9 0A 18 -2,-0.3 3,-2.0 -30,-0.2 6,-0.7 -0.766 27.2-158.5 -98.3 117.0 11.8 60.0 -4.9 39 60 A T T 3 S+ 0 0 8 -30,-2.3 7,-0.8 -2,-0.6 -29,-0.2 0.421 99.2 49.9 -81.3 5.2 12.1 63.8 -5.4 40 61 A L T 3 S+ 0 0 114 -31,-0.3 -1,-0.3 5,-0.2 -30,-0.1 0.296 103.6 88.6-105.8 2.8 14.1 63.2 -8.6 41 62 A G S <> S- 0 0 24 -3,-2.0 4,-0.7 1,-0.0 -4,-0.0 -0.098 94.6 -87.0 -99.0-167.6 11.5 60.7 -9.8 42 63 A S T 4 S+ 0 0 129 1,-0.1 -3,-0.1 2,-0.1 -1,-0.0 0.541 115.7 31.2 -83.1 -9.2 8.4 60.8 -11.9 43 64 A R T 4 S+ 0 0 238 -5,-0.4 -1,-0.1 0, 0.0 -4,-0.1 0.793 123.4 30.3-113.5 -46.4 5.9 61.5 -9.1 44 65 A A T >4 S+ 0 0 9 -6,-0.7 3,-1.8 2,-0.0 -2,-0.1 0.308 75.6 138.5-106.5 5.9 7.3 63.6 -6.3 45 66 A S T 3< S+ 0 0 62 -4,-0.7 -5,-0.2 1,-0.2 -6,-0.1 -0.288 74.4 11.5 -60.9 133.6 9.9 65.7 -8.0 46 67 A G T 3 S+ 0 0 70 -7,-0.8 2,-0.3 1,-0.3 -1,-0.2 0.421 93.6 128.1 84.8 -0.9 10.0 69.4 -6.9 47 68 A Q < - 0 0 92 -3,-1.8 -1,-0.3 1,-0.1 2,-0.1 -0.655 61.7-112.5 -87.9 146.5 7.8 68.9 -3.9 48 69 A D > - 0 0 112 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.412 23.3-116.7 -72.3 153.3 8.9 70.1 -0.4 49 70 A L H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.897 115.9 54.1 -56.3 -43.7 9.7 67.6 2.3 50 71 A K H > S+ 0 0 110 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.902 105.7 53.0 -61.5 -41.7 6.8 69.0 4.4 51 72 A T H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 112.5 44.5 -55.2 -44.9 4.4 68.5 1.6 52 73 A L H X S+ 0 0 17 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.862 113.6 49.1 -71.6 -41.0 5.4 64.8 1.2 53 74 A L H X S+ 0 0 3 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.964 112.9 47.2 -61.7 -50.5 5.4 64.1 4.9 54 75 A D H X S+ 0 0 31 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.914 108.6 56.3 -57.6 -42.9 1.9 65.7 5.3 55 76 A A H X S+ 0 0 43 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.917 105.3 51.3 -55.0 -45.3 0.7 63.7 2.3 56 77 A A H <>S+ 0 0 3 -4,-1.9 5,-2.5 2,-0.2 4,-0.3 0.872 110.0 50.3 -58.7 -40.9 1.8 60.4 4.0 57 78 A L H ><5S+ 0 0 38 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.959 113.4 44.2 -62.4 -51.3 -0.1 61.5 7.1 58 79 A Y H 3<5S+ 0 0 169 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.823 111.8 51.8 -65.2 -35.4 -3.3 62.2 5.1 59 80 A L T 3<5S- 0 0 129 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.320 118.6-101.6 -96.0 11.3 -3.3 59.1 2.9 60 81 A G T < 5 + 0 0 46 -3,-1.1 -56,-0.2 -4,-0.3 -3,-0.2 0.713 56.6 166.6 87.8 24.1 -2.9 56.6 5.8 61 82 A F < - 0 0 31 -5,-2.5 -1,-0.2 -6,-0.2 -56,-0.2 -0.436 27.0-155.0 -66.4 145.2 0.8 55.7 5.8 62 83 A N - 0 0 57 -58,-3.1 34,-2.0 1,-0.3 2,-0.3 0.540 70.0 -15.8 -94.2 -13.5 1.9 53.9 8.9 63 84 A G E -bC 5 95A 0 -59,-0.9 -57,-0.8 32,-0.2 2,-0.3 -0.970 54.7-146.3-178.1 162.6 5.5 55.0 8.6 64 85 A L E -bC 6 94A 0 30,-2.5 30,-3.3 -2,-0.3 2,-0.3 -0.992 9.9-143.3-136.7 148.9 8.3 56.4 6.5 65 86 A N E -bC 7 93A 4 -59,-3.1 -57,-2.6 -2,-0.3 2,-0.4 -0.823 20.7-152.6 -98.1 156.7 11.9 56.0 6.1 66 87 A I E +b 8 0A 4 26,-1.6 2,-0.2 -2,-0.3 -57,-0.2 -0.987 19.2 166.7-128.1 134.3 13.9 59.2 5.3 67 88 A T > + 0 0 42 -59,-2.6 3,-2.7 -2,-0.4 4,-0.1 -0.714 36.9 1.6-134.6-172.0 17.2 59.3 3.4 68 89 A H T 3 S+ 0 0 122 1,-0.3 -58,-1.8 -2,-0.2 -1,-0.2 -0.231 120.3 13.4 -54.3 139.1 19.5 61.8 1.7 69 90 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 -0.820 127.5 51.3 -96.7 32.6 19.1 64.8 1.6 70 91 A Y <> + 0 0 28 -3,-2.7 4,-2.0 -62,-0.2 -2,-0.2 0.382 69.4 99.9-113.1 1.5 16.3 64.9 4.2 71 92 A K T 4 S+ 0 0 25 1,-0.2 20,-2.5 2,-0.2 4,-0.2 0.801 98.4 30.9 -66.7 -29.5 17.5 63.1 7.3 72 93 A Q T >4 S+ 0 0 132 18,-0.2 3,-1.1 -3,-0.2 -1,-0.2 0.854 116.9 56.8 -89.0 -43.4 18.4 66.3 9.2 73 94 A A T 34 S+ 0 0 54 -4,-0.3 4,-0.3 1,-0.2 -2,-0.2 0.772 99.5 61.9 -56.0 -31.8 15.8 68.5 7.6 74 95 A V T >X S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 4,-0.6 0.787 82.0 81.7 -73.0 -24.4 13.0 66.2 8.8 75 96 A L G X4 S+ 0 0 29 -3,-1.1 3,-1.6 1,-0.3 -1,-0.2 0.876 89.2 48.5 -50.5 -55.1 13.6 66.6 12.5 76 97 A P G 34 S+ 0 0 111 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.685 106.9 59.5 -62.0 -16.5 11.7 69.9 13.1 77 98 A L G <4 S+ 0 0 57 -3,-1.4 2,-0.2 -4,-0.3 -2,-0.2 0.599 90.1 89.8 -83.8 -14.2 8.7 68.6 11.2 78 99 A L S << S- 0 0 17 -3,-1.6 3,-0.1 -4,-0.6 25,-0.1 -0.538 70.5-140.2 -90.5 152.0 8.2 65.7 13.6 79 100 A D S S+ 0 0 79 23,-0.4 2,-0.3 1,-0.2 24,-0.2 0.900 88.3 11.6 -75.1 -41.4 6.0 65.6 16.7 80 101 A E E -d 103 0A 128 22,-2.1 24,-2.8 0, 0.0 2,-0.4 -0.979 64.9-165.6-136.5 148.4 8.4 63.5 18.8 81 102 A V E -d 104 0A 37 -2,-0.3 24,-0.2 22,-0.2 13,-0.0 -0.999 28.7-112.2-136.7 132.6 12.0 62.5 18.2 82 103 A S > - 0 0 31 22,-2.9 4,-2.5 -2,-0.4 5,-0.2 -0.181 30.0-116.7 -57.5 154.3 14.0 59.7 20.0 83 104 A E H > S+ 0 0 125 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.911 115.3 52.2 -64.8 -37.3 16.8 61.0 22.2 84 105 A Q H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.915 112.4 43.3 -63.8 -45.4 19.3 59.2 20.1 85 106 A A H >>S+ 0 0 0 19,-0.2 4,-2.0 2,-0.2 5,-1.2 0.878 113.1 54.9 -67.3 -37.2 18.1 60.7 16.8 86 107 A T H <5S+ 0 0 57 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.929 110.1 44.6 -58.9 -46.6 17.8 64.1 18.5 87 108 A Q H <5S+ 0 0 57 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.870 116.1 45.3 -71.4 -37.5 21.5 64.0 19.6 88 109 A L H <5S- 0 0 8 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.809 103.0-134.9 -70.3 -29.9 22.7 62.8 16.2 89 110 A G T <5 + 0 0 26 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.710 69.9 101.9 78.0 24.2 20.5 65.3 14.5 90 111 A A < - 0 0 1 -5,-1.2 2,-0.4 -6,-0.2 -18,-0.2 -0.996 48.4-169.2-146.5 135.2 19.4 62.8 12.0 91 112 A V + 0 0 0 -20,-2.5 15,-0.2 -2,-0.3 -17,-0.2 -0.981 14.7 167.1-122.9 129.5 16.2 60.7 11.5 92 113 A N + 0 0 5 13,-1.8 -26,-1.6 -2,-0.4 2,-0.4 0.409 69.9 53.7-113.8 -4.2 15.8 57.8 9.1 93 114 A T E -CE 65 105A 0 12,-1.8 12,-2.8 -28,-0.3 2,-0.5 -0.997 57.2-174.9-140.8 127.2 12.6 56.3 10.4 94 115 A V E -CE 64 104A 0 -30,-3.3 -30,-2.5 -2,-0.4 2,-0.5 -0.987 10.6-156.7-126.2 119.3 9.3 58.0 11.1 95 116 A V E -CE 63 103A 28 8,-2.7 8,-1.9 -2,-0.5 2,-0.5 -0.847 9.1-155.3 -97.0 128.0 6.4 56.1 12.8 96 117 A I E - E 0 102A 12 -34,-2.0 6,-0.2 -2,-0.5 2,-0.0 -0.929 11.3-154.1-107.7 123.3 3.0 57.6 12.1 97 118 A D > - 0 0 71 4,-2.5 3,-1.9 -2,-0.5 -34,-0.0 -0.183 36.8 -83.0 -92.2-178.3 0.3 56.9 14.6 98 119 A A T 3 S+ 0 0 113 1,-0.3 -1,-0.0 2,-0.1 -38,-0.0 0.842 127.1 48.3 -57.4 -37.0 -3.4 56.7 14.3 99 120 A T T 3 S- 0 0 108 2,-0.0 -1,-0.3 1,-0.0 -42,-0.0 0.347 121.7-101.1 -89.0 5.1 -4.0 60.5 14.5 100 121 A G S < S+ 0 0 16 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.756 75.3 140.7 84.2 25.8 -1.3 61.3 12.0 101 122 A H - 0 0 87 -44,-0.1 -4,-2.5 -23,-0.0 2,-0.4 -0.703 40.5-132.6-103.4 159.8 1.4 62.3 14.5 102 123 A T E - E 0 96A 3 -2,-0.3 -22,-2.1 -6,-0.2 2,-0.4 -0.881 18.5-169.2-126.4 140.9 5.0 61.4 14.1 103 124 A T E -dE 80 95A 42 -8,-1.9 -8,-2.7 -2,-0.4 2,-0.3 -0.994 19.5-147.1-126.4 123.4 7.9 59.9 16.0 104 125 A G E +dE 81 94A 0 -24,-2.8 -22,-2.9 -2,-0.4 2,-0.3 -0.698 21.9 168.1 -93.0 143.8 11.4 60.0 14.6 105 126 A H E - E 0 93A 39 -12,-2.8 -12,-1.8 -2,-0.3 -13,-1.8 -0.883 30.4-130.2-139.9 168.0 14.0 57.3 15.2 106 127 A N > + 0 0 9 -2,-0.3 4,-1.1 -15,-0.2 3,-0.1 -0.854 26.5 166.2-130.7 102.6 17.4 56.4 13.8 107 128 A T H > S+ 0 0 3 -2,-0.4 4,-2.0 2,-0.2 152,-0.2 0.450 72.0 74.6 -93.0 -2.5 17.8 52.7 12.8 108 129 A D H > S+ 0 0 16 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.912 102.0 44.3 -65.4 -43.1 21.0 53.4 10.9 109 130 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.964 118.3 41.2 -64.3 -54.6 22.6 53.7 14.3 110 131 A S H X S+ 0 0 36 -4,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.882 115.4 53.4 -61.9 -37.3 21.0 50.7 15.8 111 132 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.902 110.7 43.9 -67.1 -42.2 21.5 48.8 12.6 112 133 A F H X S+ 0 0 7 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.912 112.7 53.7 -68.5 -40.0 25.2 49.4 12.4 113 134 A G H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.900 109.4 47.7 -58.9 -43.1 25.5 48.6 16.1 114 135 A R H X S+ 0 0 103 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.899 108.4 55.7 -65.0 -41.0 23.8 45.3 15.6 115 136 A G H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.4 0.906 106.4 50.9 -54.8 -44.6 26.1 44.6 12.6 116 137 A M H X S+ 0 0 10 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.897 112.8 45.9 -58.3 -43.3 29.1 45.2 14.9 117 138 A E H < S+ 0 0 103 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.896 120.2 39.3 -65.8 -40.6 27.6 42.7 17.4 118 139 A E H < S+ 0 0 52 -4,-2.6 -2,-0.2 1,-0.1 -3,-0.2 0.841 129.8 26.1 -79.4 -38.2 26.8 40.1 14.8 119 140 A G H < S+ 0 0 12 -4,-3.1 -3,-0.2 -5,-0.2 127,-0.2 0.577 128.9 35.3-108.7 -16.5 29.9 40.5 12.5 120 141 A L >< + 0 0 12 -4,-1.8 3,-1.5 -5,-0.4 -1,-0.1 -0.247 66.5 144.3-130.7 46.3 32.6 41.7 14.8 121 142 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.737 80.2 34.1 -65.4 -23.5 31.8 40.0 18.1 122 143 A N T 3 S+ 0 0 157 -3,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.308 89.5 134.1-108.3 5.2 35.5 39.5 19.1 123 144 A A < - 0 0 30 -3,-1.5 2,-0.5 -7,-0.2 72,-0.1 -0.252 58.7-123.2 -66.3 141.6 36.9 42.7 17.6 124 145 A K - 0 0 112 70,-0.2 98,-0.2 1,-0.1 3,-0.1 -0.739 30.1-179.0 -78.8 125.8 39.3 44.9 19.5 125 146 A L + 0 0 36 -2,-0.5 25,-1.2 23,-0.1 26,-0.4 0.263 44.6 109.4-115.9 10.2 37.7 48.3 19.6 126 147 A D S S+ 0 0 74 1,-0.2 25,-1.9 23,-0.2 2,-0.4 0.902 91.2 17.0 -56.0 -45.9 40.2 50.6 21.5 127 148 A S E S+f 151 0B 26 23,-0.2 67,-2.8 -3,-0.1 68,-1.0 -0.982 72.6 171.7-137.5 120.5 41.2 52.6 18.4 128 149 A V E -fg 152 195B 0 23,-2.8 25,-2.7 -2,-0.4 2,-0.4 -0.952 19.2-149.9-131.4 144.8 39.3 52.8 15.2 129 150 A V E -fg 153 196B 0 66,-2.1 68,-2.3 -2,-0.3 2,-0.5 -0.960 8.7-163.8-111.6 134.5 39.6 54.9 12.0 130 151 A Q E -fg 154 197B 0 23,-2.9 25,-2.7 -2,-0.4 2,-0.7 -0.987 7.5-152.9-115.4 124.8 36.6 55.8 9.9 131 152 A V E +fg 155 198B 11 66,-2.7 68,-3.5 -2,-0.5 69,-0.3 -0.893 67.2 29.7 -99.7 114.0 37.2 57.1 6.4 132 153 A G - 0 0 2 23,-3.8 24,-0.2 -2,-0.7 23,-0.1 0.296 49.3-159.7 107.8 126.4 34.3 59.3 5.3 133 154 A A + 0 0 10 21,-0.1 5,-0.2 25,-0.1 23,-0.1 0.362 69.5 83.1-110.7 -1.3 32.0 61.6 7.3 134 155 A G S > S+ 0 0 15 65,-0.2 3,-2.5 3,-0.2 4,-0.0 -0.249 79.7 21.4 -95.0-174.6 29.2 61.8 4.7 135 156 A G T > S- 0 0 64 1,-0.3 3,-0.6 2,-0.1 4,-0.2 -0.341 136.9 -18.3 58.6-131.9 26.3 59.6 3.8 136 157 A V T 3> S+ 0 0 29 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.256 108.0 110.2 -87.6 12.1 25.5 57.3 6.8 137 158 A G H <> S+ 0 0 0 -3,-2.5 4,-2.5 62,-0.3 -1,-0.2 0.821 72.4 57.9 -56.1 -33.4 29.0 58.1 8.3 138 159 A N H <> S+ 0 0 23 -3,-0.6 4,-2.1 -5,-0.2 -1,-0.2 0.950 110.1 41.7 -63.1 -46.6 27.3 60.1 11.0 139 160 A A H > S+ 0 0 0 -3,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.869 113.8 53.8 -67.1 -38.9 25.2 57.2 12.2 140 161 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.933 109.6 46.8 -60.8 -47.7 28.1 54.8 11.8 141 162 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.925 112.7 49.9 -63.3 -43.1 30.4 56.9 14.0 142 163 A Y H X S+ 0 0 14 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.928 112.3 47.5 -61.3 -46.2 27.7 57.2 16.6 143 164 A A H X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 3,-0.4 0.920 109.4 54.4 -60.5 -44.0 27.1 53.5 16.6 144 165 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.1 1,-0.2 3,-1.1 0.949 111.6 41.8 -55.7 -52.1 30.8 52.8 16.9 145 166 A V H 3<5S+ 0 0 7 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.625 115.2 50.5 -78.8 -13.2 31.5 54.9 19.9 146 167 A T H 3<5S+ 0 0 56 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.420 108.8 54.3 -97.5 -1.7 28.2 53.7 21.7 147 168 A H T <<5S- 0 0 61 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 -0.094 135.0 -67.8-122.5 32.8 29.1 50.0 21.0 148 169 A G T 5S+ 0 0 53 -3,-0.3 2,-0.5 1,-0.3 -3,-0.2 0.277 83.8 136.1 113.1 -10.2 32.6 50.0 22.6 149 170 A V < - 0 0 0 -5,-2.1 -1,-0.3 -6,-0.2 -23,-0.2 -0.595 28.9-172.5 -74.5 119.7 35.0 52.1 20.5 150 171 A Q S S+ 0 0 126 -25,-1.2 2,-0.5 -2,-0.5 -23,-0.2 0.920 73.3 23.0 -79.9 -45.6 37.1 54.2 22.9 151 172 A K E -f 127 0B 104 -25,-1.9 -23,-2.8 -26,-0.4 2,-0.5 -0.981 66.8-175.0-127.8 121.3 38.8 56.4 20.3 152 173 A L E -fh 128 178B 0 25,-3.0 27,-2.3 -2,-0.5 2,-0.6 -0.966 7.2-163.5-113.8 123.0 37.4 57.1 16.8 153 174 A Q E -fh 129 179B 30 -25,-2.7 -23,-2.9 -2,-0.5 2,-0.5 -0.938 10.3-162.7-103.4 118.8 39.4 59.0 14.3 154 175 A V E -fh 130 180B 0 25,-2.3 27,-2.3 -2,-0.6 2,-0.4 -0.907 5.4-170.1-106.9 124.1 37.2 60.2 11.4 155 176 A A E +fh 131 181B 1 -25,-2.7 -23,-3.8 -2,-0.5 2,-0.3 -0.908 10.4 166.7-112.3 138.6 38.9 61.3 8.2 156 177 A D E - h 0 182B 12 25,-0.7 27,-0.6 -2,-0.4 6,-0.1 -0.986 47.3-119.7-144.2 149.7 37.2 63.1 5.4 157 178 A L S S+ 0 0 161 -2,-0.3 2,-1.1 1,-0.2 26,-0.1 0.922 114.6 59.3 -48.5 -44.7 38.4 64.9 2.3 158 179 A D S >> S- 0 0 76 1,-0.2 4,-1.6 -3,-0.1 3,-0.8 -0.778 76.0-167.6 -89.5 98.2 36.5 67.9 3.8 159 180 A T H 3> S+ 0 0 66 -2,-1.1 4,-2.6 1,-0.3 -1,-0.2 0.837 86.3 58.0 -55.7 -36.1 38.3 68.2 7.2 160 181 A S H 3> S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.855 103.5 53.0 -65.4 -33.7 35.5 70.6 8.4 161 182 A R H <> S+ 0 0 125 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.905 110.4 47.0 -65.0 -43.2 32.9 67.8 7.7 162 183 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.920 113.6 48.1 -65.9 -43.3 34.9 65.4 9.8 163 184 A Q H X S+ 0 0 81 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.905 110.0 51.9 -64.3 -41.3 35.3 67.9 12.7 164 185 A A H X S+ 0 0 53 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.909 111.1 47.9 -59.1 -44.2 31.6 68.8 12.6 165 186 A L H X S+ 0 0 12 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.926 109.5 53.4 -63.0 -44.8 30.7 65.1 12.9 166 187 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 12,-0.3 0.916 109.1 48.9 -56.3 -44.6 33.2 64.7 15.7 167 188 A D H X S+ 0 0 89 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.908 111.1 49.8 -63.7 -43.1 31.5 67.6 17.6 168 189 A V H X S+ 0 0 55 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.955 115.2 42.6 -59.6 -49.9 28.1 66.1 17.1 169 190 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.925 113.1 51.3 -65.2 -46.0 29.1 62.7 18.4 170 191 A N H X>S+ 0 0 27 -4,-2.7 4,-1.7 -5,-0.3 5,-1.1 0.878 111.8 48.1 -60.3 -39.4 31.2 63.9 21.3 171 192 A N H <5S+ 0 0 119 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.871 110.7 52.1 -65.4 -38.6 28.3 66.1 22.4 172 193 A A H <5S+ 0 0 23 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.882 119.4 32.7 -66.7 -39.5 25.8 63.2 22.1 173 194 A V H <5S- 0 0 42 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.615 104.3-124.0 -97.9 -15.6 27.9 60.7 24.2 174 195 A G T <5S+ 0 0 68 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.782 77.1 75.3 80.4 30.6 29.4 63.2 26.6 175 196 A R S S+ 0 0 27 -27,-0.6 3,-1.6 -26,-0.1 2,-0.3 0.830 82.7 86.5 -68.6 -33.8 42.6 62.3 5.1 184 205 A R T 3 S+ 0 0 208 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 -0.551 103.7 11.0 -72.4 126.4 46.1 62.8 3.7 185 206 A G T >> S+ 0 0 42 -2,-0.3 3,-1.0 3,-0.0 4,-0.8 0.642 82.2 141.8 79.5 17.1 48.5 60.3 5.3 186 207 A I H <> + 0 0 5 -3,-1.6 4,-2.5 1,-0.2 3,-0.3 0.782 57.4 75.0 -63.4 -24.6 45.5 58.4 6.8 187 208 A E H 3> S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.894 93.3 50.6 -52.2 -45.7 47.4 55.1 6.1 188 209 A D H <> S+ 0 0 129 -3,-1.0 4,-1.1 1,-0.2 -1,-0.2 0.863 110.7 49.4 -62.1 -37.0 49.8 55.7 9.0 189 210 A V H X S+ 0 0 37 -4,-0.8 4,-0.5 -3,-0.3 3,-0.3 0.909 111.9 48.1 -69.9 -43.1 46.8 56.3 11.4 190 211 A I H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.917 105.2 59.0 -61.6 -43.9 45.1 53.2 10.2 191 212 A A H 3< S+ 0 0 52 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.830 108.9 45.1 -56.7 -33.6 48.3 51.1 10.6 192 213 A A H 3< S+ 0 0 85 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.541 103.4 86.4 -85.2 -10.3 48.3 52.1 14.3 193 214 A A S << S- 0 0 7 -3,-1.5 -65,-0.2 -4,-0.5 3,-0.1 -0.382 76.4-130.0 -91.4 167.9 44.6 51.4 14.8 194 215 A D S S- 0 0 31 -67,-2.8 28,-1.3 1,-0.2 2,-0.3 0.727 85.9 -2.4 -84.0 -28.9 42.7 48.2 15.7 195 216 A G E -gi 128 222B 0 -68,-1.0 -66,-2.1 26,-0.2 2,-0.3 -0.981 57.6-148.9-160.5 164.0 40.2 48.6 12.9 196 217 A V E -gi 129 223B 0 26,-1.7 28,-2.5 -2,-0.3 2,-0.4 -0.998 5.7-159.6-145.9 137.3 39.0 50.7 10.0 197 218 A V E -gi 130 224B 0 -68,-2.3 -66,-2.7 -2,-0.3 2,-0.6 -0.986 13.4-141.3-119.3 130.2 35.6 51.4 8.5 198 219 A N E +gi 131 225B 1 26,-2.6 28,-2.5 -2,-0.4 29,-0.3 -0.825 25.8 167.2 -86.4 121.2 35.0 52.8 5.0 199 220 A A + 0 0 11 -68,-3.5 -62,-0.3 -2,-0.6 -65,-0.2 0.029 49.1 95.3-119.9 22.9 32.1 55.2 5.0 200 221 A T S S- 0 0 27 -69,-0.3 27,-0.2 2,-0.2 26,-0.2 -0.625 87.1-112.5 -98.8 167.2 32.8 56.6 1.5 201 222 A P S > S+ 0 0 61 0, 0.0 3,-2.1 0, 0.0 6,-0.2 0.477 75.2 129.1 -76.3 0.3 31.2 55.4 -1.7 202 223 A M T 3 + 0 0 59 1,-0.2 25,-0.2 4,-0.1 9,-0.2 -0.337 62.0 41.2 -59.3 132.5 34.6 54.1 -2.8 203 224 A G T 3 S+ 0 0 11 4,-2.9 -1,-0.2 1,-0.5 31,-0.2 0.013 86.7 115.9 112.6 -23.2 34.3 50.5 -3.9 204 225 A M S X S- 0 0 61 -3,-2.1 3,-1.7 3,-0.4 -1,-0.5 -0.341 82.7-107.1 -71.3 156.1 31.0 51.0 -5.8 205 226 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.816 123.0 45.8 -58.7 -29.9 31.0 50.4 -9.6 206 227 A A T 3 S+ 0 0 85 1,-0.2 -4,-0.1 -5,-0.1 -2,-0.0 0.443 122.2 38.1 -90.4 -0.3 30.8 54.2 -10.2 207 228 A H S < S- 0 0 93 -3,-1.7 -4,-2.9 -6,-0.2 -3,-0.4 -0.383 87.3-174.9-140.3 57.9 33.5 54.9 -7.6 208 229 A P + 0 0 96 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.126 40.4 34.7 -62.9 152.1 35.9 52.0 -8.1 209 230 A G S S- 0 0 20 -6,-0.1 26,-0.3 -7,-0.1 2,-0.3 -0.713 88.1 -59.9 111.8-159.4 39.0 51.5 -5.9 210 231 A T - 0 0 33 -2,-0.3 -7,-0.1 24,-0.1 3,-0.0 -0.928 29.0-128.2-130.7 151.8 39.7 52.0 -2.2 211 232 A A S S+ 0 0 31 -2,-0.3 2,-0.3 -9,-0.2 -79,-0.0 0.564 94.7 13.6 -79.0 -9.2 39.7 55.1 0.0 212 233 A F S S- 0 0 6 -26,-0.1 2,-0.6 -81,-0.0 -1,-0.0 -0.963 98.8 -76.6-154.5 168.3 43.2 54.3 1.3 213 234 A D > - 0 0 86 -2,-0.3 3,-2.0 1,-0.2 4,-0.1 -0.575 35.7-153.4 -74.6 111.9 46.2 52.1 0.4 214 235 A V G > S+ 0 0 38 -2,-0.6 3,-1.7 1,-0.3 -1,-0.2 0.592 84.2 82.4 -67.2 -11.9 45.3 48.6 1.6 215 236 A S G 3 S+ 0 0 93 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.699 80.4 68.0 -62.1 -18.5 49.0 47.8 2.0 216 237 A C G < S+ 0 0 20 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.595 84.0 95.3 -76.7 -12.1 48.7 49.6 5.4 217 238 A L < - 0 0 10 -3,-1.7 2,-0.3 -4,-0.1 -26,-0.1 -0.458 56.8-166.8 -75.3 151.2 46.4 46.8 6.6 218 239 A T > - 0 0 61 -2,-0.1 3,-1.5 4,-0.0 24,-0.1 -0.884 38.8-100.3-127.9 169.8 47.7 43.8 8.6 219 240 A K T 3 S+ 0 0 147 -2,-0.3 26,-0.2 1,-0.3 -2,-0.0 0.712 118.8 61.5 -59.9 -21.9 46.2 40.5 9.6 220 241 A D T 3 S+ 0 0 136 24,-0.1 -1,-0.3 2,-0.1 25,-0.1 0.683 87.4 90.9 -84.4 -17.1 45.5 41.9 13.0 221 242 A H < - 0 0 8 -3,-1.5 24,-0.6 -98,-0.1 2,-0.4 -0.340 65.9-144.3 -69.2 153.8 43.2 44.6 11.8 222 243 A W E -ij 195 245B 8 -28,-1.3 -26,-1.7 22,-0.2 2,-0.4 -0.913 17.9-156.5-108.9 151.8 39.4 44.3 11.4 223 244 A V E -ij 196 246B 0 22,-2.1 24,-2.1 -2,-0.4 2,-0.3 -0.995 9.6-171.9-133.1 133.6 37.9 46.1 8.4 224 245 A G E -ij 197 247B 0 -28,-2.5 -26,-2.6 -2,-0.4 2,-0.4 -0.890 3.5-163.7-120.5 155.4 34.3 47.3 7.9 225 246 A D E -i 198 0B 4 22,-2.0 -26,-0.2 -2,-0.3 -28,-0.0 -0.998 19.8-159.6-141.5 133.0 32.6 48.7 4.8 226 247 A V S S+ 0 0 30 -28,-2.5 2,-0.2 -2,-0.4 -27,-0.1 0.714 72.7 96.3 -75.3 -24.1 29.3 50.7 4.4 227 248 A V + 0 0 1 -29,-0.3 22,-0.9 -27,-0.2 6,-0.2 -0.485 39.8 166.9 -72.7 132.5 29.3 49.7 0.7 228 249 A Y + 0 0 64 21,-0.2 -1,-0.1 -2,-0.2 4,-0.1 0.383 47.3 101.1-123.2 -2.2 27.2 46.7 -0.2 229 250 A M S S+ 0 0 58 1,-0.4 -1,-0.2 2,-0.1 2,-0.1 -0.903 102.4 20.2-118.4 96.8 27.1 47.1 -4.0 230 251 A P S S- 0 0 56 0, 0.0 -1,-0.4 0, 0.0 3,-0.2 0.627 89.9-152.4 -80.1 166.6 29.2 45.1 -4.5 231 252 A I S S+ 0 0 60 1,-0.3 2,-1.1 -2,-0.1 18,-0.3 0.897 93.6 51.7 -68.2 -42.2 29.1 43.0 -1.2 232 253 A E S S- 0 0 89 -4,-0.1 -1,-0.3 16,-0.1 -4,-0.1 -0.724 84.0-172.7 -99.1 85.7 32.7 42.1 -1.7 233 254 A T > - 0 0 0 -2,-1.1 4,-2.7 -3,-0.2 5,-0.2 -0.286 40.1-106.0 -70.4 161.1 34.4 45.4 -2.2 234 255 A E H > S+ 0 0 108 -25,-0.3 4,-2.2 1,-0.2 5,-0.2 0.881 123.5 53.7 -54.1 -40.7 38.1 45.7 -3.2 235 256 A L H > S+ 0 0 6 -26,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.936 110.1 44.6 -58.2 -50.6 38.7 46.9 0.4 236 257 A L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.855 111.5 53.8 -68.7 -33.7 37.0 43.8 1.9 237 258 A K H X S+ 0 0 119 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.922 109.9 47.6 -60.6 -46.1 38.8 41.5 -0.5 238 259 A A H X S+ 0 0 25 -4,-2.2 4,-1.1 -5,-0.2 -2,-0.2 0.904 113.6 48.1 -64.2 -41.3 42.1 42.9 0.5 239 260 A A H >X>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 4,-0.6 0.938 111.3 49.9 -63.3 -47.7 41.2 42.6 4.2 240 261 A R H ><5S+ 0 0 80 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.872 103.6 59.7 -59.8 -37.6 40.0 39.0 3.8 241 262 A A H 3<5S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.853 106.4 48.1 -60.9 -34.9 43.2 38.1 1.9 242 263 A L H <<5S- 0 0 77 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.596 122.4-106.9 -78.4 -13.3 45.2 39.1 5.0 243 264 A G T <<5 + 0 0 49 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.571 64.9 158.3 92.2 13.9 42.9 37.1 7.3 244 265 A C < - 0 0 7 -5,-2.3 -1,-0.3 -6,-0.2 -22,-0.2 -0.428 47.2-115.1 -66.9 141.8 41.3 40.2 8.7 245 266 A E E -j 222 0B 129 -24,-0.6 -22,-2.1 -26,-0.2 2,-0.3 -0.536 42.4-157.9 -67.1 142.8 37.9 39.8 10.3 246 267 A T E -j 223 0B 22 -24,-0.2 2,-0.5 -2,-0.2 -22,-0.2 -0.937 24.4-155.0-131.2 152.7 35.4 41.9 8.2 247 268 A L E -j 224 0B 2 -24,-2.1 -22,-2.0 -2,-0.3 2,-0.1 -0.979 24.3-152.6-122.0 112.3 32.1 43.5 8.5 248 269 A D > - 0 0 26 -2,-0.5 3,-0.7 -24,-0.2 4,-0.5 -0.344 23.8-112.2 -84.5 167.1 30.3 43.9 5.2 249 270 A G T 3> S+ 0 0 3 -22,-0.9 4,-1.4 -18,-0.3 -21,-0.2 0.567 103.4 76.7 -78.6 -8.9 27.8 46.6 4.3 250 271 A T H 3> S+ 0 0 7 -23,-0.2 4,-2.5 1,-0.2 5,-0.3 0.846 85.4 64.0 -69.4 -29.4 24.8 44.3 4.1 251 272 A R H <> S+ 0 0 57 -3,-0.7 4,-2.9 1,-0.2 5,-0.2 0.929 106.2 40.1 -65.3 -49.9 24.5 44.0 7.8 252 273 A M H > S+ 0 0 13 -4,-0.5 4,-2.6 2,-0.2 5,-0.2 0.925 115.5 52.5 -61.2 -44.4 23.7 47.6 8.5 253 274 A A H X S+ 0 0 13 -4,-1.4 4,-0.7 1,-0.2 -2,-0.2 0.856 115.8 40.3 -64.1 -36.2 21.5 47.9 5.4 254 275 A I H >X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 3,-0.5 0.935 115.9 49.0 -75.3 -49.3 19.4 44.8 6.5 255 276 A H H 3X S+ 0 0 3 -4,-2.9 4,-2.9 -5,-0.3 5,-0.3 0.820 103.5 59.0 -67.2 -30.1 19.3 45.7 10.3 256 277 A Q H 3X S+ 0 0 17 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.891 112.0 43.5 -61.7 -35.2 18.2 49.3 9.7 257 278 A A H - 0 0 56 1,-0.2 4,-1.9 -246,-0.1 3,-0.2 -0.828 21.4-161.5 -89.8 107.9 12.5 37.6 10.8 271 292 A V H > S+ 0 0 43 -2,-0.9 4,-2.8 1,-0.2 5,-0.2 0.907 87.1 54.3 -57.7 -47.1 16.1 38.7 10.2 272 293 A S H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.865 109.1 49.2 -58.9 -37.9 17.0 35.7 8.0 273 294 A R H > S+ 0 0 86 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 112.0 47.1 -66.6 -43.5 14.0 36.4 5.7 274 295 A M H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.875 112.0 51.1 -68.0 -36.7 14.8 40.1 5.3 275 296 A R H X S+ 0 0 54 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.917 109.2 51.6 -62.0 -45.5 18.5 39.1 4.6 276 297 A E H X S+ 0 0 131 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.925 111.2 46.8 -57.6 -46.2 17.2 36.7 2.0 277 298 A T H >< S+ 0 0 26 -4,-2.4 3,-0.8 1,-0.2 4,-0.5 0.950 110.9 52.9 -60.1 -48.3 15.1 39.3 0.3 278 299 A F H >< S+ 0 0 1 -4,-2.5 3,-1.0 1,-0.3 -2,-0.2 0.902 111.7 44.5 -54.3 -46.1 18.0 41.8 0.5 279 300 A L H 3< S+ 0 0 89 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.678 103.6 66.3 -75.1 -17.7 20.4 39.4 -1.3 280 301 A S T << 0 0 85 -4,-1.2 -1,-0.2 -3,-0.8 -2,-0.2 0.536 360.0 360.0 -80.7 -9.4 17.9 38.4 -3.9 281 302 A L < 0 0 121 -3,-1.0 -265,-0.1 -4,-0.5 -267,-0.0 -0.746 360.0 360.0 -97.1 360.0 17.8 41.8 -5.5