==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-NOV-10 3PGJ . COMPND 2 MOLECULE: SHIKIMATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O1 BIOVAR ELTOR; . AUTHOR A.S.HALAVATY,S.H.LIGHT,L.SHUVALOVA,L.PAPAZISI,W.F.ANDERSON,C . 1075 6 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 790 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 178 16.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 3.5 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 . 4 0.4 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 . 3 0.3 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 . 74 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 332 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 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 2 0 5 4 4 0 4 15 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 4 9 11 0 4 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 . 1 0 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 4 0 0 0 0 0 2 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 5 A I 0 0 84 0, 0.0 30,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 97.4 -10.2 -8.7 42.1 2 6 A D E -a 31 0A 44 28,-1.9 30,-2.6 1,-0.0 2,-0.5 -0.470 360.0-132.8 -77.2 144.3 -7.7 -9.9 39.6 3 7 A Q E +ab 32 55A 72 51,-0.6 53,-2.5 28,-0.2 54,-0.9 -0.861 30.1 164.0-105.6 131.3 -4.0 -10.4 40.7 4 8 A Y E +ab 33 57A 2 28,-2.5 30,-1.9 -2,-0.5 2,-0.3 -0.910 9.6 170.8-135.0 158.8 -1.1 -9.1 38.6 5 9 A A E -ab 34 58A 0 52,-1.0 54,-2.5 -2,-0.3 2,-0.4 -0.957 30.2-119.0-160.5 175.3 2.5 -8.6 39.7 6 10 A V E -ab 35 59A 1 28,-1.9 30,-2.0 -2,-0.3 2,-0.5 -0.992 24.5-146.4-126.3 134.1 6.1 -7.8 38.7 7 11 A F E +ab 36 60A 6 52,-2.2 54,-2.6 -2,-0.4 2,-0.3 -0.902 34.9 134.9-108.3 127.8 8.9 -10.2 39.3 8 12 A G E -a 37 0A 0 28,-1.2 30,-1.2 -2,-0.5 3,-0.4 -0.903 50.2-125.0-154.0 175.5 12.5 -9.1 40.2 9 13 A N S S+ 0 0 71 1,-1.5 2,-0.1 53,-0.3 28,-0.1 -0.241 114.4 20.6-159.2 64.4 15.2 -9.9 42.6 10 14 A P - 0 0 74 0, 0.0 -1,-1.5 0, 0.0 837,-0.1 0.709 65.2-175.1 -79.8 165.7 15.3 -7.1 43.6 11 15 A I - 0 0 17 -3,-0.4 2,-2.6 835,-0.2 3,-0.3 -0.962 26.0-162.4 68.3 21.4 12.7 -5.8 42.8 12 16 A N S S- 0 0 102 1,-0.3 835,-0.1 835,-0.1 -3,-0.0 -0.500 72.5 -47.8 -78.9 73.7 14.7 -2.9 44.3 13 17 A H S S- 0 0 19 -2,-2.6 -1,-0.3 833,-0.2 2,-0.1 0.994 76.6-151.9 55.4 75.0 11.5 -0.9 44.8 14 18 A S - 0 0 28 -3,-0.3 4,-0.3 1,-0.1 -1,-0.1 -0.407 10.3-146.9 -69.3 151.6 9.9 -1.3 41.4 15 19 A K S > S+ 0 0 38 1,-0.1 4,-3.1 2,-0.1 5,-0.1 0.491 80.2 92.5 -98.2 -7.3 7.6 1.5 40.4 16 20 A S H > S+ 0 0 7 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.842 82.3 51.8 -56.2 -40.1 5.3 -0.8 38.6 17 21 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.955 113.6 44.8 -62.4 -45.8 3.0 -1.4 41.6 18 22 A F H > S+ 0 0 17 -4,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.934 117.9 45.3 -59.2 -49.3 2.7 2.4 42.0 19 23 A I H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 3,-0.4 0.981 117.0 41.2 -58.9 -62.6 2.2 2.9 38.2 20 24 A H H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.3 -1,-0.2 0.771 110.0 58.8 -60.1 -29.7 -0.3 0.0 37.7 21 25 A T H X S+ 0 0 32 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.3 0.917 109.6 45.0 -67.4 -40.5 -2.2 0.8 40.8 22 26 A L H X S+ 0 0 15 -4,-1.7 4,-2.7 -3,-0.4 -2,-0.2 0.905 109.2 54.2 -68.7 -41.5 -2.8 4.3 39.5 23 27 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.930 107.7 53.6 -55.9 -42.3 -3.8 2.9 36.0 24 28 A A H X>S+ 0 0 11 -4,-2.3 5,-2.0 2,-0.2 4,-0.6 0.935 108.6 47.5 -55.9 -50.7 -6.3 0.8 37.9 25 29 A R H ><5S+ 0 0 116 -4,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.948 113.9 47.2 -56.3 -52.0 -7.8 3.9 39.7 26 30 A Q H 3<5S+ 0 0 35 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.823 121.2 36.2 -60.1 -35.7 -8.0 5.8 36.4 27 31 A T H 3<5S- 0 0 6 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.309 105.3-128.1 -99.6 5.9 -9.6 2.9 34.5 28 32 A Q T <<5 + 0 0 171 -3,-1.0 2,-0.5 -4,-0.6 -3,-0.2 0.907 47.8 167.1 46.8 51.6 -11.7 1.8 37.5 29 33 A Q < - 0 0 44 -5,-2.0 2,-1.4 -6,-0.1 -1,-0.2 -0.846 41.0-129.1-101.7 132.3 -10.3 -1.8 37.1 30 34 A S + 0 0 70 -2,-0.5 -28,-1.9 2,-0.0 2,-0.3 -0.650 66.7 109.7 -80.5 90.6 -10.9 -4.3 39.9 31 35 A M E -a 2 0A 18 -2,-1.4 2,-0.4 -30,-0.3 -28,-0.2 -0.988 54.4-141.8-161.3 156.7 -7.3 -5.5 40.3 32 36 A I E -a 3 0A 29 -30,-2.6 -28,-2.5 -2,-0.3 2,-0.5 -0.992 11.8-160.1-128.2 132.4 -4.3 -5.5 42.6 33 37 A Y E +a 4 0A 5 -2,-0.4 811,-0.4 -30,-0.2 -28,-0.3 -0.960 17.7 177.5-115.6 122.2 -0.7 -5.3 41.4 34 38 A T E -a 5 0A 11 -30,-1.9 -28,-1.9 -2,-0.5 2,-0.7 -0.777 33.0-116.4-122.6 166.9 2.1 -6.4 43.7 35 39 A A E -ac 6 845A 0 809,-2.4 811,-2.4 -2,-0.3 2,-0.3 -0.911 35.8-166.7-104.5 109.5 5.9 -6.8 43.7 36 40 A Q E -a 7 0A 18 -30,-2.0 -28,-1.2 -2,-0.7 2,-0.3 -0.749 17.4-126.2 -99.5 145.6 6.9 -10.4 44.2 37 41 A a E -a 8 0A 26 -2,-0.3 -28,-0.2 -30,-0.2 810,-0.1 -0.633 21.0-132.5 -86.4 144.6 10.3 -11.8 45.0 38 42 A V - 0 0 5 -30,-1.2 5,-0.1 -2,-0.3 6,-0.0 -0.867 24.3-121.7 -99.5 130.6 11.7 -14.4 42.7 39 43 A P > - 0 0 60 0, 0.0 3,-1.2 0, 0.0 7,-0.1 -0.296 20.7-113.7 -68.0 156.5 13.2 -17.5 44.5 40 44 A V T 3 S+ 0 0 135 1,-0.3 3,-0.1 3,-0.0 -2,-0.0 0.865 113.0 60.6 -58.6 -39.7 16.8 -18.4 44.0 41 45 A D T 3 S- 0 0 150 1,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.716 119.3 -59.0 -63.5 -20.7 15.9 -21.7 42.2 42 46 A G <> - 0 0 8 -3,-1.2 4,-1.2 1,-0.1 3,-0.2 -0.610 23.5-110.7 149.0 151.8 14.1 -19.8 39.5 43 47 A F H > S+ 0 0 0 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.844 110.5 67.3 -69.5 -36.8 11.5 -17.6 38.0 44 48 A T H > S+ 0 0 48 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.855 100.5 49.1 -52.9 -38.8 9.8 -20.6 36.4 45 49 A E H > S+ 0 0 117 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 112.2 47.6 -69.4 -42.2 8.9 -21.8 39.9 46 50 A A H X S+ 0 0 11 -4,-1.2 4,-3.2 2,-0.2 -2,-0.2 0.964 111.5 50.5 -61.4 -53.5 7.5 -18.4 40.8 47 51 A A H X S+ 0 0 0 -4,-3.3 4,-3.1 2,-0.2 5,-0.3 0.890 110.3 49.1 -51.9 -50.3 5.5 -18.1 37.6 48 52 A K H X S+ 0 0 127 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.960 114.2 45.3 -55.2 -54.4 3.9 -21.5 38.0 49 53 A H H X S+ 0 0 90 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.902 114.4 50.7 -55.4 -44.7 2.9 -20.8 41.6 50 54 A F H <>S+ 0 0 19 -4,-3.2 5,-2.0 1,-0.2 3,-0.3 0.963 117.2 36.0 -60.6 -56.3 1.6 -17.4 40.5 51 55 A F H ><5S+ 0 0 16 -4,-3.1 3,-0.8 1,-0.2 -1,-0.2 0.741 113.4 61.1 -71.5 -20.8 -0.6 -18.5 37.7 52 56 A A H 3<5S+ 0 0 81 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.860 103.6 49.7 -71.9 -35.3 -1.5 -21.6 39.6 53 57 A Q T 3<5S- 0 0 107 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.245 134.1 -81.1 -88.6 13.6 -3.0 -19.6 42.4 54 58 A G T < 5S+ 0 0 38 -3,-0.8 -51,-0.6 1,-0.3 -3,-0.2 0.556 73.7 154.1 103.0 9.2 -5.2 -17.4 40.1 55 59 A G E < -b 3 0A 2 -5,-2.0 -1,-0.3 -6,-0.2 -51,-0.2 -0.441 26.1-164.4 -69.1 143.7 -2.8 -14.7 38.8 56 60 A R E - 0 0 77 -53,-2.5 34,-2.9 1,-0.3 2,-0.3 0.652 62.0 -17.9-103.4 -19.5 -3.8 -13.3 35.4 57 61 A G E -bD 4 89A 0 -54,-0.9 -52,-1.0 32,-0.3 -1,-0.3 -0.977 55.1-169.9-175.2 165.3 -0.6 -11.6 34.3 58 62 A C E -bD 5 88A 0 30,-1.9 30,-2.8 -2,-0.3 2,-0.3 -0.978 20.9-122.7-167.0 154.7 2.7 -10.2 35.3 59 63 A N E -bD 6 87A 5 -54,-2.5 -52,-2.2 -2,-0.3 2,-0.4 -0.667 22.4-150.8 -96.7 155.5 5.7 -8.2 34.3 60 64 A V E -b 7 0A 4 26,-1.6 2,-0.2 -2,-0.3 -52,-0.2 -0.998 6.8-156.6-131.8 129.9 9.2 -9.6 34.4 61 65 A T > - 0 0 40 -54,-2.6 3,-1.9 -2,-0.4 4,-0.1 -0.521 40.5 -44.3 -98.7 170.4 12.3 -7.5 35.0 62 66 A V T 3 S+ 0 0 99 1,-0.3 -53,-0.3 2,-0.2 -1,-0.1 -0.438 116.7 27.9 -71.2 150.4 15.9 -8.3 34.0 63 67 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 -0.692 116.6 59.8 -99.7 44.6 17.6 -10.7 34.2 64 68 A F S <> S+ 0 0 26 -3,-1.9 4,-2.0 -57,-0.2 -2,-0.2 0.421 72.5 96.9-109.3 2.9 14.6 -13.0 34.1 65 69 A K H > S+ 0 0 32 1,-0.2 20,-1.9 2,-0.2 4,-1.6 0.866 84.4 50.3 -60.7 -38.3 13.2 -12.0 30.7 66 70 A E H > S+ 0 0 99 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.913 110.1 49.9 -67.7 -39.9 14.8 -14.8 28.8 67 71 A E H > S+ 0 0 63 1,-0.2 4,-1.6 -4,-0.2 -1,-0.2 0.855 108.3 53.8 -65.9 -33.0 13.5 -17.4 31.3 68 72 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 17,-0.2 -1,-0.2 0.850 102.2 59.4 -67.6 -34.2 10.0 -15.8 30.8 69 73 A Y H < S+ 0 0 77 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.889 108.6 44.2 -59.8 -41.5 10.4 -16.4 27.1 70 74 A R H < S+ 0 0 207 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.817 109.3 56.5 -73.8 -32.2 10.8 -20.1 27.8 71 75 A F H < S+ 0 0 20 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.804 87.9 95.0 -70.6 -30.7 7.9 -20.2 30.2 72 76 A A < - 0 0 14 -4,-1.7 25,-0.2 1,-0.1 3,-0.1 -0.257 61.6-155.0 -63.4 149.3 5.4 -18.8 27.7 73 77 A D S S+ 0 0 102 23,-2.8 2,-0.3 1,-0.3 24,-0.2 0.675 86.3 21.7 -92.9 -27.1 3.3 -21.3 25.7 74 78 A R E S-e 97 0A 143 22,-1.6 24,-3.1 25,-0.0 2,-0.4 -0.988 71.7-156.1-141.2 146.2 2.8 -18.7 23.0 75 79 A L E -e 98 0A 55 -2,-0.3 24,-0.2 22,-0.2 2,-0.1 -0.952 18.0-125.2-124.6 143.4 4.9 -15.6 22.1 76 80 A T > - 0 0 35 22,-2.3 4,-1.8 -2,-0.4 3,-0.3 -0.365 35.1-105.9 -77.5 167.6 3.9 -12.5 20.2 77 81 A E H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.931 121.9 52.3 -60.8 -46.0 5.9 -11.6 17.1 78 82 A R H > S+ 0 0 61 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.783 108.6 51.6 -63.3 -25.1 7.6 -8.8 18.9 79 83 A A H >>S+ 0 0 0 -3,-0.3 4,-1.6 19,-0.2 5,-1.0 0.865 108.1 50.2 -78.6 -36.5 8.6 -11.1 21.8 80 84 A R H <5S+ 0 0 121 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.913 115.4 44.1 -66.6 -41.7 10.2 -13.7 19.5 81 85 A L H <5S+ 0 0 26 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.864 113.5 49.1 -70.5 -37.7 12.2 -10.9 17.8 82 86 A A H <5S- 0 0 8 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.766 98.5-142.1 -72.7 -24.4 13.1 -9.3 21.1 83 87 A G T <5S+ 0 0 18 -4,-1.6 2,-0.3 1,-0.1 -3,-0.2 0.729 71.8 75.4 68.5 23.0 14.2 -12.7 22.4 84 88 A A < - 0 0 9 -5,-1.0 2,-0.5 -15,-0.1 -18,-0.2 -0.974 68.5-138.8-162.8 148.5 12.8 -11.8 25.8 85 89 A V + 0 0 0 -20,-1.9 15,-0.2 -2,-0.3 -17,-0.2 -0.954 21.6 167.7-117.1 124.8 9.5 -11.5 27.6 86 90 A N S S+ 0 0 3 13,-1.1 -26,-1.6 -2,-0.5 2,-0.4 0.417 73.1 52.5-108.5 -3.3 8.6 -8.7 30.0 87 91 A T E -DF 59 99A 0 12,-1.9 12,-3.1 -28,-0.2 2,-0.3 -0.965 58.8-176.4-141.9 123.3 4.9 -9.5 30.0 88 92 A L E -DF 58 98A 0 -30,-2.8 -30,-1.9 -2,-0.4 2,-0.3 -0.866 5.8-174.3-114.5 148.0 3.0 -12.8 30.7 89 93 A K E -DF 57 97A 23 8,-2.0 8,-3.5 -2,-0.3 2,-0.7 -0.990 23.8-134.1-144.9 133.4 -0.8 -13.3 30.4 90 94 A K E - F 0 96A 58 -34,-2.9 6,-0.2 -2,-0.3 2,-0.1 -0.794 30.9-148.5 -88.4 118.4 -3.0 -16.2 31.2 91 95 A L > - 0 0 43 4,-3.3 3,-2.2 -2,-0.7 -1,-0.0 -0.430 27.7 -99.5 -83.4 163.5 -5.4 -16.6 28.3 92 96 A D T 3 S+ 0 0 164 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.799 121.6 54.5 -51.4 -36.1 -8.9 -17.9 28.6 93 97 A D T 3 S- 0 0 114 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.462 122.5-101.6 -81.8 0.3 -7.9 -21.4 27.4 94 98 A G S < S+ 0 0 47 -3,-2.2 -2,-0.1 1,-0.4 -1,-0.1 0.106 80.3 130.6 103.8 -22.5 -5.2 -21.7 30.1 95 99 A E - 0 0 62 -5,-0.1 -4,-3.3 1,-0.1 2,-0.6 -0.307 56.8-127.6 -65.5 150.1 -2.2 -21.0 27.8 96 100 A I E - F 0 90A 13 -6,-0.2 -23,-2.8 -25,-0.2 -22,-1.6 -0.898 20.4-149.7-103.0 117.5 0.3 -18.4 29.0 97 101 A L E -eF 74 89A 25 -8,-3.5 -8,-2.0 -2,-0.6 2,-0.5 -0.728 5.3-153.9 -89.7 136.7 1.0 -15.7 26.4 98 102 A G E +eF 75 88A 0 -24,-3.1 -22,-2.3 -2,-0.4 2,-0.3 -0.949 22.4 163.0-113.6 121.8 4.4 -14.1 26.3 99 103 A D E - F 0 87A 4 -12,-3.1 -12,-1.9 -2,-0.5 -13,-1.1 -0.829 29.9-139.0-130.9 168.6 4.8 -10.6 25.0 100 104 A N + 0 0 6 -2,-0.3 4,-0.3 -15,-0.2 3,-0.1 -0.954 20.1 172.3-134.5 113.1 7.4 -7.9 25.1 101 105 A T > + 0 0 0 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 0.466 55.0 93.7 -99.7 -5.8 6.2 -4.3 25.6 102 106 A D H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.925 87.9 47.4 -52.7 -50.8 9.6 -2.5 26.2 103 107 A G H > S+ 0 0 1 30,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.936 112.8 46.4 -58.6 -50.9 10.0 -1.5 22.5 104 108 A E H > S+ 0 0 34 -4,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.822 108.4 57.9 -63.5 -31.9 6.5 -0.2 22.0 105 109 A G H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.929 108.2 46.7 -62.8 -44.7 6.7 1.8 25.3 106 110 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.939 112.2 50.7 -60.1 -49.4 9.8 3.5 23.8 107 111 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.930 111.1 46.7 -56.5 -50.1 8.0 4.2 20.5 108 112 A Q H X S+ 0 0 28 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.838 110.7 52.9 -64.3 -32.3 4.9 5.7 22.1 109 113 A D H X S+ 0 0 12 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.926 111.7 46.0 -68.3 -44.8 7.0 7.9 24.4 110 114 A L H <>S+ 0 0 0 -4,-2.4 5,-1.2 1,-0.2 3,-0.3 0.934 114.1 47.9 -61.0 -48.3 8.9 9.2 21.4 111 115 A L H ><5S+ 0 0 51 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.855 108.7 54.6 -62.4 -34.9 5.7 9.8 19.5 112 116 A A H 3<5S+ 0 0 60 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.838 104.8 55.5 -67.3 -30.4 4.2 11.5 22.5 113 117 A Q T 3<5S- 0 0 64 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.168 122.2-106.4 -86.2 17.4 7.2 13.8 22.5 114 118 A Q T < 5 + 0 0 165 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.939 67.2 153.1 56.4 50.5 6.6 14.9 18.9 115 119 A V < - 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0 0 57 -2,-0.3 2,-0.3 24,-0.0 24,-0.2 -0.503 30.3-153.4 -87.1 155.2 -15.1 -18.8 84.2 990 185 D Y - 0 0 4 22,-1.9 24,-0.2 -2,-0.2 3,-0.2 -0.927 19.8-133.3-126.8 150.7 -13.9 -15.6 82.5 991 186 D D S S+ 0 0 65 -61,-1.1 27,-2.6 -2,-0.3 2,-0.4 0.910 97.5 22.9 -68.2 -44.6 -15.8 -12.9 80.8 992 187 D V E -np 9311018G 2 -62,-1.8 -60,-2.4 25,-0.2 2,-0.6 -0.976 67.0-165.5-131.0 119.2 -13.6 -12.8 77.8 993 188 D I E -np 9321019G 0 25,-2.6 27,-3.4 -2,-0.4 2,-0.5 -0.915 10.8-165.1-104.4 120.5 -11.4 -15.7 76.6 994 189 D I E -np 9331020G 0 -62,-3.2 -60,-3.0 -2,-0.6 2,-0.7 -0.924 5.3-157.4-111.7 119.4 -8.7 -14.7 74.1 995 190 D N E +np 9341021G 1 25,-3.4 27,-2.7 -2,-0.5 28,-0.3 -0.839 22.5 162.7 -98.8 113.4 -6.9 -17.3 72.0 996 191 D S + 0 0 15 -62,-2.3 2,-0.3 -2,-0.7 -57,-0.2 0.231 47.8 99.1-108.1 9.0 -3.5 -16.2 70.6 997 192 D T - 0 0 39 -63,-0.2 26,-0.2 1,-0.1 3,-0.2 -0.692 59.1-152.3 -99.5 153.4 -2.1 -19.7 69.9 998 193 D S S > S+ 0 0 84 -2,-0.3 3,-2.0 1,-0.1 4,-0.4 0.565 70.5 100.6 -98.2 -11.7 -2.1 -21.4 66.5 999 194 D A G > >S+ 0 0 51 1,-0.3 3,-2.0 2,-0.2 5,-1.2 0.834 74.1 66.2 -39.7 -45.2 -2.2 -25.0 67.7 1000 195 D S G > 5S+ 0 0 3 1,-0.3 3,-2.7 3,-0.2 -1,-0.3 0.775 83.1 70.3 -52.1 -35.3 -5.9 -25.1 66.9 1001 196 D L G < 5S+ 0 0 90 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.752 100.9 50.8 -57.1 -22.0 -5.6 -24.8 63.1 1002 197 D D G < 5S- 0 0 141 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.073 128.7 -99.1-101.7 21.6 -4.1 -28.3 63.3 1003 198 D G T < 5S+ 0 0 53 -3,-2.7 2,-0.3 1,-0.2 -3,-0.2 0.327 81.2 134.5 80.2 -7.3 -7.1 -29.6 65.3 1004 199 D E < - 0 0 126 -5,-1.2 -1,-0.2 -6,-0.1 -2,-0.2 -0.584 36.3-164.2 -83.4 135.4 -5.3 -29.4 68.7 1005 200 D L - 0 0 63 -2,-0.3 2,-0.1 -3,-0.1 26,-0.0 -0.894 28.1-106.5-115.0 144.5 -6.9 -28.0 71.8 1006 201 D P - 0 0 23 0, 0.0 2,-2.4 0, 0.0 -72,-0.0 -0.440 34.5-110.8 -68.8 143.0 -5.1 -26.9 74.9 1007 202 D A + 0 0 90 -2,-0.1 2,-0.4 2,-0.0 0, 0.0 -0.449 69.1 138.5 -75.5 71.9 -5.4 -29.2 77.9 1008 203 D I - 0 0 10 -2,-2.4 -24,-0.1 -23,-0.1 -25,-0.1 -0.949 62.6-108.8-119.4 137.7 -7.5 -26.7 79.9 1009 204 D D > - 0 0 64 -26,-0.5 3,-1.2 -2,-0.4 -21,-0.1 -0.449 28.9-131.5 -61.6 131.3 -10.6 -27.6 82.0 1010 205 D P G > S+ 0 0 36 0, 0.0 3,-2.5 0, 0.0 -1,-0.2 0.473 87.8 100.1 -67.1 0.9 -13.5 -26.1 80.1 1011 206 D V G 3 + 0 0 57 1,-0.3 -24,-0.1 -25,-0.2 -2,-0.1 0.705 65.9 78.0 -58.6 -16.9 -14.9 -24.5 83.3 1012 207 D I G < S+ 0 0 0 -3,-1.2 -22,-1.9 -23,-0.2 -1,-0.3 0.788 86.6 70.0 -62.7 -26.7 -13.2 -21.4 81.8 1013 208 D F < + 0 0 11 -3,-2.5 2,-0.3 -24,-0.2 -22,-0.1 -0.646 62.6 157.9 -93.8 152.0 -16.2 -21.0 79.5 1014 209 D S > - 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