==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-DEC-03 1VI2 . COMPND 2 MOLECULE: SHIKIMATE 5-DEHYDROGENASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR STRUCTURAL GENOMIX . 566 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24910.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 427 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 49 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.7 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 1 0 2 2 1 3 1 3 3 1 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 6 2 2 2 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 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 A 0 0 56 0, 0.0 296,-0.1 0, 0.0 299,-0.1 0.000 360.0 360.0 360.0 -0.3 13.2 51.1 16.6 2 6 A K + 0 0 176 2,-0.1 2,-0.2 296,-0.1 296,-0.0 0.407 360.0 107.2-106.1 2.6 10.4 53.5 16.0 3 7 A Y - 0 0 99 30,-0.1 2,-0.3 28,-0.0 30,-0.2 -0.558 61.2-138.2 -86.2 145.5 12.5 56.7 16.0 4 8 A E E -a 33 0A 79 28,-1.8 30,-1.9 -2,-0.2 2,-0.3 -0.763 22.5-121.1 -94.0 149.5 13.4 58.7 13.0 5 9 A L E -a 34 0A 0 -2,-0.3 53,-2.2 51,-0.2 54,-1.0 -0.663 19.9-167.4 -97.4 138.9 17.0 60.1 12.6 6 10 A I E -ab 35 59A 1 28,-2.4 30,-2.4 -2,-0.3 54,-0.3 -0.995 18.5-161.7-118.6 127.3 17.8 63.7 12.2 7 11 A G E -ab 36 60A 0 52,-2.4 54,-3.1 -2,-0.5 2,-0.4 -0.314 21.4-142.2 -99.0 179.6 21.3 64.5 11.1 8 12 A L E -ab 37 61A 11 28,-0.9 30,-2.2 52,-0.3 2,-0.6 -0.957 20.0-160.1-135.1 120.0 23.8 67.3 11.0 9 13 A X E +ab 38 62A 0 52,-2.7 54,-2.1 -2,-0.4 2,-0.3 -0.912 40.6 101.0-110.1 112.8 25.9 67.4 7.8 10 14 A A E -a 39 0A 1 28,-1.8 30,-2.4 -2,-0.6 3,-0.1 -0.983 60.5 -99.0-169.9 172.6 29.1 69.3 8.1 11 15 A Y S S+ 0 0 122 53,-2.6 2,-0.2 1,-0.3 28,-0.1 -0.790 101.5 24.5-160.1 119.2 32.8 69.3 8.6 12 16 A P + 0 0 74 0, 0.0 -1,-0.3 0, 0.0 26,-0.1 0.559 66.8 169.0 -75.3 178.9 34.0 69.8 11.2 13 17 A I > + 0 0 28 -2,-0.2 3,-1.5 -3,-0.1 -2,-0.1 0.367 49.9 100.4-131.1 -9.4 31.3 68.8 13.7 14 18 A R T 3 S+ 0 0 198 1,-0.3 23,-0.0 272,-0.0 -3,-0.0 0.807 84.2 44.5 -47.9 -47.7 33.3 68.8 16.9 15 19 A H T 3 S+ 0 0 137 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.236 81.3 127.7 -93.5 17.2 32.1 72.3 18.1 16 20 A S < - 0 0 42 -3,-1.5 4,-0.3 1,-0.1 21,-0.1 -0.505 39.4-168.8 -78.8 139.5 28.4 72.1 17.4 17 21 A L S > S+ 0 0 57 -2,-0.3 4,-1.7 1,-0.1 5,-0.2 0.521 73.7 84.4-100.0 -0.3 25.9 72.9 20.1 18 22 A S H > S+ 0 0 19 1,-0.2 4,-3.4 2,-0.2 5,-0.4 0.889 79.6 59.6 -68.1 -46.1 23.0 71.5 18.1 19 23 A P H > S+ 0 0 30 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.950 112.4 37.2 -50.8 -53.5 23.3 67.9 19.0 20 24 A E H > S+ 0 0 84 -4,-0.3 4,-2.9 2,-0.2 5,-0.3 0.903 118.8 50.4 -68.1 -39.5 22.8 68.4 22.7 21 25 A X H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 5,-0.2 0.961 115.0 40.9 -66.7 -46.5 20.2 71.1 22.3 22 26 A Q H X S+ 0 0 0 -4,-3.4 4,-2.9 2,-0.2 -2,-0.2 0.956 117.7 47.9 -68.0 -45.5 18.1 69.2 19.8 23 27 A N H X S+ 0 0 32 -4,-2.4 4,-3.1 -5,-0.4 5,-0.2 0.939 111.9 48.4 -62.9 -44.9 18.4 65.9 21.7 24 28 A K H X S+ 0 0 58 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.890 113.5 47.8 -62.9 -36.2 17.6 67.4 25.1 25 29 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.3 -2,-0.2 0.946 113.0 49.8 -69.3 -38.9 14.6 69.2 23.6 26 30 A L H <>S+ 0 0 3 -4,-2.9 5,-2.1 2,-0.2 4,-0.3 0.915 111.7 46.4 -62.3 -48.0 13.6 65.9 22.0 27 31 A E H ><5S+ 0 0 134 -4,-3.1 3,-3.1 1,-0.2 -2,-0.2 0.979 108.2 56.8 -60.4 -53.8 13.9 63.9 25.3 28 32 A K H 3<5S+ 0 0 121 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.810 114.0 38.9 -42.9 -47.3 12.0 66.5 27.3 29 33 A A T 3<5S- 0 0 50 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.347 107.0-127.9 -86.7 -3.5 9.1 66.2 25.0 30 34 A G T < 5 + 0 0 56 -3,-3.1 -3,-0.2 -4,-0.3 -2,-0.1 0.802 48.7 166.5 59.8 34.2 9.4 62.4 24.6 31 35 A L < - 0 0 15 -5,-2.1 2,-1.9 -6,-0.2 -1,-0.2 -0.560 46.2-115.9 -85.7 149.4 9.4 62.6 20.8 32 36 A P S S+ 0 0 50 0, 0.0 -28,-1.8 0, 0.0 2,-0.3 -0.443 78.9 101.7 -80.7 60.0 10.5 59.7 18.6 33 37 A F E -a 4 0A 30 -2,-1.9 2,-0.4 -30,-0.2 -28,-0.2 -0.979 50.4-160.4-142.1 143.3 13.5 61.4 17.0 34 38 A T E -a 5 0A 35 -30,-1.9 -28,-2.4 -2,-0.3 2,-0.5 -0.995 12.8-144.9-124.3 139.2 17.2 61.1 17.7 35 39 A Y E +a 6 0A 6 -2,-0.4 2,-0.4 -30,-0.2 -28,-0.2 -0.885 22.7 171.3-112.0 124.8 19.8 63.7 16.6 36 40 A X E -a 7 0A 11 -30,-2.4 -28,-0.9 -2,-0.5 2,-0.2 -0.989 25.5-132.8-132.4 142.1 23.3 62.8 15.4 37 41 A A E -a 8 0A 20 -2,-0.4 2,-0.4 -30,-0.2 -28,-0.1 -0.444 21.2-165.9 -91.4 146.9 26.1 64.7 13.8 38 42 A F E -a 9 0A 9 -30,-2.2 -28,-1.8 -2,-0.2 2,-0.9 -0.998 26.0-120.2-137.8 136.3 28.0 63.3 10.7 39 43 A E E +a 10 0A 78 300,-0.4 2,-0.4 -2,-0.4 -28,-0.2 -0.692 50.1 157.5 -77.0 102.9 31.3 64.3 9.1 40 44 A V + 0 0 0 -30,-2.4 26,-0.2 -2,-0.9 2,-0.2 -0.994 15.5 177.2-134.9 127.1 30.2 65.3 5.6 41 45 A D > - 0 0 59 -2,-0.4 4,-1.8 24,-0.1 3,-0.2 -0.450 53.0 -77.3-113.0-164.0 32.0 67.6 3.1 42 46 A N T 4 S+ 0 0 73 1,-0.2 -2,-0.0 2,-0.2 24,-0.0 0.839 127.1 53.3 -69.4 -33.3 31.2 68.6 -0.5 43 47 A D T 4 S+ 0 0 146 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.874 117.5 34.3 -68.1 -37.8 32.4 65.3 -1.9 44 48 A S T > S+ 0 0 29 1,-0.2 4,-2.5 -3,-0.2 5,-0.2 0.650 96.1 88.9 -95.2 -9.6 30.3 63.0 0.3 45 49 A F H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 5,-0.3 0.903 84.1 53.2 -54.6 -42.7 27.3 65.4 0.5 46 50 A P H > S+ 0 0 42 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.954 113.1 43.3 -62.3 -42.4 25.6 64.0 -2.6 47 51 A G H > S+ 0 0 9 -4,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.868 110.2 57.3 -71.7 -28.7 25.7 60.4 -1.2 48 52 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.921 106.1 49.6 -67.6 -39.2 24.7 61.7 2.2 49 53 A I H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.819 108.0 53.2 -64.7 -37.0 21.5 63.2 0.6 50 54 A E H X S+ 0 0 80 -4,-1.5 4,-3.3 -5,-0.3 5,-0.3 0.960 111.2 47.7 -62.2 -39.1 20.8 59.8 -1.1 51 55 A G H X S+ 0 0 0 -4,-2.5 4,-3.4 2,-0.2 5,-0.3 0.947 105.1 58.2 -64.4 -44.6 21.1 58.2 2.3 52 56 A L H <>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 4,-0.2 0.929 115.7 36.8 -51.1 -45.8 18.8 60.9 3.8 53 57 A K H ><5S+ 0 0 84 -4,-2.0 3,-1.4 3,-0.2 -2,-0.2 0.976 118.6 46.3 -73.0 -57.2 16.2 59.7 1.3 54 58 A A H 3<5S+ 0 0 14 -4,-3.3 278,-0.2 1,-0.3 -2,-0.2 0.831 117.3 43.0 -53.9 -48.1 16.8 56.0 1.2 55 59 A L T 3<5S- 0 0 1 -4,-3.4 268,-0.4 -5,-0.3 -1,-0.3 0.478 108.6-125.8 -75.8 -7.3 17.0 55.6 5.0 56 60 A K T < 5 - 0 0 103 -3,-1.4 -51,-0.2 -5,-0.3 -3,-0.2 0.948 39.1-177.8 61.4 41.0 14.0 57.9 5.5 57 61 A X < - 0 0 1 -5,-2.3 -51,-0.2 -6,-0.3 -1,-0.1 -0.564 32.1-127.5 -60.5 148.5 15.8 60.2 7.9 58 62 A R - 0 0 52 -53,-2.2 34,-3.1 1,-0.2 2,-0.3 0.810 68.0 -64.5 -68.6 -32.1 13.4 63.0 9.1 59 63 A G E -bC 6 91A 0 -54,-1.0 -52,-2.4 32,-0.3 2,-0.3 -0.985 47.0-119.4 169.4-168.7 15.9 65.7 8.0 60 64 A T E -bC 7 90A 0 30,-2.1 30,-2.5 -2,-0.3 -52,-0.3 -0.967 14.9-125.1-160.6 139.7 19.3 67.2 8.7 61 65 A G E -bC 8 89A 0 -54,-3.1 -52,-2.7 -2,-0.3 2,-0.4 -0.548 32.8-147.3 -78.3 156.8 20.9 70.4 9.9 62 66 A V E +b 9 0A 3 26,-2.4 2,-0.2 -54,-0.2 -52,-0.2 -0.998 23.5 161.7-132.9 132.6 23.5 71.7 7.4 63 67 A S > + 0 0 49 -54,-2.1 3,-2.5 -2,-0.4 4,-0.1 -0.696 37.3 0.5-138.0-173.7 26.7 73.6 8.1 64 68 A X T 3 S+ 0 0 133 1,-0.3 -53,-2.6 -2,-0.2 -1,-0.1 -0.283 119.6 11.7 -53.0 137.6 30.1 74.5 6.6 65 69 A P T 3 S+ 0 0 58 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 -0.891 124.8 55.0-107.1 38.5 31.0 73.8 4.0 66 70 A N S <> S+ 0 0 0 -3,-2.5 4,-2.8 -57,-0.2 -2,-0.2 0.434 72.2 98.6-109.1 1.8 27.7 72.4 2.6 67 71 A K T 4 S+ 0 0 49 2,-0.2 20,-1.8 1,-0.2 4,-0.3 0.839 93.0 34.1 -64.5 -43.9 25.3 75.3 3.1 68 72 A Q T >> S+ 0 0 153 -3,-0.2 3,-2.1 18,-0.2 4,-0.5 0.956 118.8 52.8 -75.1 -48.2 25.4 76.7 -0.5 69 73 A L G >4 S+ 0 0 34 -4,-0.4 3,-1.7 1,-0.3 4,-0.4 0.874 100.2 63.2 -52.5 -39.5 25.8 73.3 -2.1 70 74 A A G >< S+ 0 0 0 -4,-2.8 3,-1.1 1,-0.3 4,-0.3 0.704 86.9 71.7 -59.1 -30.7 22.8 71.9 -0.2 71 75 A C G X4 S+ 0 0 27 -3,-2.1 3,-0.8 -4,-0.3 -1,-0.3 0.869 95.3 54.3 -53.5 -32.3 20.6 74.4 -2.1 72 76 A E G << S+ 0 0 147 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.618 104.7 55.4 -77.3 -10.4 21.1 72.2 -5.2 73 77 A Y G < S+ 0 0 74 -3,-1.1 2,-0.3 -4,-0.4 -1,-0.2 0.359 90.1 81.7-108.9 4.2 19.9 69.1 -3.4 74 78 A V < - 0 0 20 -3,-0.8 24,-0.2 -4,-0.3 3,-0.1 -0.755 69.5-138.1-102.0 164.6 16.5 70.1 -2.1 75 79 A D S S+ 0 0 90 22,-2.1 2,-0.4 1,-0.3 23,-0.2 0.805 88.6 19.0 -86.6 -29.0 13.2 70.1 -4.1 76 80 A E E -d 98 0A 84 21,-1.9 23,-3.5 -3,-0.0 2,-0.3 -0.991 59.3-167.6-150.9 138.7 12.2 73.4 -2.7 77 81 A L E -d 99 0A 40 -2,-0.4 23,-0.2 21,-0.2 10,-0.0 -0.846 31.5-110.6-117.0 154.8 13.6 76.4 -0.9 78 82 A T > - 0 0 38 21,-1.2 4,-2.3 -2,-0.3 5,-0.3 -0.454 33.7-108.0 -80.5 162.1 11.8 79.2 0.9 79 83 A P H > S+ 0 0 80 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.938 121.6 53.2 -57.1 -39.9 11.8 82.7 -0.7 80 84 A A H > S+ 0 0 8 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.934 108.2 48.9 -60.7 -46.1 14.1 83.8 2.1 81 85 A A H >>S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.8 0.866 106.3 56.0 -63.9 -37.9 16.6 81.0 1.4 82 86 A K H <5S+ 0 0 116 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.863 107.3 51.0 -60.3 -35.7 16.7 81.7 -2.3 83 87 A L H <5S+ 0 0 10 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.904 115.9 41.2 -61.9 -43.7 17.7 85.3 -1.5 84 88 A V H <5S- 0 0 16 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.838 93.5-142.7 -73.3 -41.4 20.5 84.0 0.8 85 89 A G T <5S+ 0 0 30 -4,-3.2 2,-0.3 1,-0.2 -14,-0.2 0.765 72.4 80.6 80.1 23.8 21.7 81.2 -1.5 86 90 A A < - 0 0 15 -5,-0.8 2,-0.3 -16,-0.1 -18,-0.2 -0.969 55.6-166.1-164.9 136.6 22.4 79.0 1.6 87 91 A I - 0 0 0 -20,-1.8 14,-0.3 -2,-0.3 -17,-0.2 -0.952 15.5-170.5-124.2 153.8 20.4 76.8 4.0 88 92 A N S S+ 0 0 9 12,-1.7 -26,-2.4 -2,-0.3 2,-0.4 0.256 75.9 60.1-119.4 0.1 21.2 75.2 7.4 89 93 A T E -CE 61 100A 0 11,-1.8 11,-2.2 -28,-0.3 2,-0.4 -0.976 52.9-177.2-137.1 133.6 18.1 73.0 7.5 90 94 A I E -CE 60 99A 0 -30,-2.5 -30,-2.1 -2,-0.4 2,-0.5 -0.990 9.9-162.1-124.8 133.9 16.6 70.3 5.3 91 95 A V E -CE 59 98A 2 7,-2.5 7,-2.4 -2,-0.4 2,-0.9 -0.969 10.0-148.5-114.9 125.2 13.3 68.6 6.1 92 96 A N E - E 0 97A 9 -34,-3.1 2,-1.2 -2,-0.5 5,-0.2 -0.848 13.1-172.8 -94.0 99.8 12.5 65.3 4.5 93 97 A D E > S- E 0 96A 43 3,-3.7 3,-2.2 -2,-0.9 -35,-0.1 -0.791 72.4 -54.6 -96.9 83.7 8.7 65.2 4.0 94 98 A D T 3 S- 0 0 168 -2,-1.2 -1,-0.2 1,-0.3 3,-0.1 0.837 120.3 -31.1 49.8 53.1 8.3 61.6 2.9 95 99 A G T 3 S+ 0 0 44 1,-0.2 2,-0.5 -43,-0.1 -1,-0.3 0.096 119.0 104.8 96.1 -16.9 10.8 61.9 0.0 96 100 A Y E < - E 0 93A 90 -3,-2.2 -3,-3.7 -22,-0.0 2,-0.6 -0.830 61.6-148.0-103.0 119.4 10.2 65.6 -0.7 97 101 A L E - E 0 92A 0 -2,-0.5 -22,-2.1 -5,-0.2 -21,-1.9 -0.861 11.4-168.0 -96.4 123.5 13.0 67.7 0.6 98 102 A R E -dE 76 91A 71 -7,-2.4 -7,-2.5 -2,-0.6 2,-0.4 -0.849 10.5-148.0-111.4 128.9 12.4 71.3 1.8 99 103 A G E +dE 77 90A 1 -23,-3.5 -21,-1.2 -2,-0.4 2,-0.3 -0.820 20.7 172.9-102.2 133.5 15.3 73.7 2.4 100 104 A Y E - E 0 89A 55 -11,-2.2 -11,-1.8 -2,-0.4 -12,-1.7 -0.913 30.8-142.5-134.7 158.4 15.3 76.4 5.1 101 105 A N >> + 0 0 13 -2,-0.3 4,-1.4 -14,-0.3 3,-1.1 -0.784 19.6 177.9-123.6 89.7 17.6 79.0 6.7 102 106 A T H 3> S+ 0 0 0 -2,-0.4 4,-2.4 1,-0.3 5,-0.3 0.578 72.3 74.3 -72.0 -12.4 16.6 79.1 10.4 103 107 A D H 3> S+ 0 0 35 2,-0.2 4,-1.6 3,-0.2 -1,-0.3 0.920 104.1 40.1 -63.4 -38.4 19.3 81.6 11.2 104 108 A G H <> S+ 0 0 1 -3,-1.1 4,-2.2 2,-0.2 5,-0.2 0.949 119.6 42.6 -75.4 -53.8 17.2 84.2 9.5 105 109 A T H X S+ 0 0 31 -4,-1.4 4,-2.8 1,-0.2 5,-0.2 0.926 115.6 52.1 -60.8 -38.5 13.8 83.1 10.8 106 110 A G H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.931 110.4 44.5 -61.2 -56.2 15.3 82.5 14.3 107 111 A H H X S+ 0 0 3 -4,-1.6 4,-1.9 -5,-0.3 -1,-0.2 0.954 116.6 47.8 -53.9 -44.7 16.9 86.0 14.7 108 112 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.904 111.4 51.1 -66.9 -32.4 13.7 87.6 13.3 109 113 A R H X S+ 0 0 99 -4,-2.8 4,-3.0 -5,-0.2 -1,-0.2 0.925 106.3 54.0 -69.2 -39.8 11.6 85.4 15.7 110 114 A A H X S+ 0 0 7 -4,-2.7 4,-0.7 -5,-0.2 -1,-0.2 0.916 109.7 48.9 -60.7 -40.7 13.8 86.5 18.7 111 115 A I H ><>S+ 0 0 0 -4,-1.9 5,-1.5 2,-0.2 3,-1.5 0.963 112.4 46.0 -63.4 -52.2 13.1 90.2 17.8 112 116 A K H ><5S+ 0 0 45 -4,-2.3 3,-2.5 1,-0.3 -2,-0.2 0.916 106.3 60.1 -59.9 -42.6 9.3 89.7 17.4 113 117 A E H 3<5S+ 0 0 116 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.706 97.4 60.4 -56.9 -28.1 9.2 87.7 20.7 114 118 A S T <<5S- 0 0 71 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.627 125.8-101.8 -76.2 -9.3 10.6 90.8 22.5 115 119 A G T < 5S+ 0 0 71 -3,-2.5 2,-0.4 -4,-0.4 -3,-0.2 0.566 78.1 138.9 98.7 13.3 7.5 92.7 21.4 116 120 A F < - 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0 0 54 -2,-0.3 4,-2.0 -31,-0.1 3,-0.3 -0.490 52.2 -71.4-127.3-174.6 13.7 47.4 1.1 326 46 B N T 4 S+ 0 0 77 1,-0.2 24,-0.0 2,-0.2 -32,-0.0 0.860 128.8 50.9 -48.5 -41.1 15.4 46.2 -2.1 327 47 B D T 4 S+ 0 0 145 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.851 118.5 35.2 -70.6 -36.9 14.6 49.4 -4.0 328 48 B S T > S+ 0 0 29 -3,-0.3 4,-2.2 1,-0.2 5,-0.2 0.623 94.7 90.5 -95.8 -2.8 16.1 51.8 -1.4 329 49 B F H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.885 84.2 51.7 -56.6 -46.2 18.9 49.4 -0.3 330 50 B P H > S+ 0 0 43 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.945 113.3 43.5 -63.3 -41.1 21.5 50.8 -2.8 331 51 B G H > S+ 0 0 10 -4,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.805 109.7 57.6 -69.1 -33.4 21.0 54.4 -1.8 332 52 B A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.913 106.6 49.2 -66.5 -35.1 21.0 53.4 1.9 333 53 B I H X S+ 0 0 6 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.882 106.3 55.4 -68.9 -37.5 24.5 51.9 1.3 334 54 B E H X S+ 0 0 89 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.2 0.918 110.1 48.4 -54.1 -43.7 25.5 55.1 -0.3 335 55 B G H X S+ 0 0 0 -4,-1.7 4,-3.4 2,-0.2 5,-0.3 0.937 105.5 55.4 -65.1 -39.5 24.3 56.7 3.0 336 56 B L H X>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-0.5 0.907 114.9 40.8 -63.8 -39.2 26.3 54.2 5.2 337 57 B K H ><5S+ 0 0 92 -4,-2.3 3,-0.5 3,-0.2 -1,-0.2 0.950 118.5 44.0 -73.2 -50.7 29.5 55.2 3.3 338 58 B A H 3<5S+ 0 0 11 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.829 117.9 44.0 -63.6 -44.2 28.8 59.0 3.1 339 59 B L H 3<5S- 0 0 3 -4,-3.4 -300,-0.4 -5,-0.2 -1,-0.2 0.561 108.4-126.9 -76.2 -8.6 27.6 59.3 6.6 340 60 B K T <<5 - 0 0 101 -3,-0.5 -3,-0.2 -4,-0.5 -51,-0.2 0.918 36.3-174.1 61.9 47.2 30.5 57.1 7.8 341 61 B X < - 0 0 2 -5,-2.4 -51,-0.2 -6,-0.3 -1,-0.2 -0.460 32.2-128.2 -63.1 152.5 28.3 54.7 9.7 342 62 B R S S- 0 0 46 -53,-2.3 34,-3.1 1,-0.2 2,-0.3 0.851 72.3 -71.5 -68.7 -32.5 30.4 52.1 11.7 343 63 B G E -lM 290 375C 0 -54,-1.0 -52,-2.0 32,-0.3 2,-0.3 -0.982 48.9-111.5 170.1-159.5 28.2 49.5 9.9 344 64 B T E -lM 291 374C 0 30,-2.4 30,-2.5 -2,-0.3 -52,-0.3 -0.966 12.7-124.9-168.1 143.9 24.7 48.0 9.8 345 65 B G E -lM 292 373C 1 -54,-2.9 -52,-2.4 -2,-0.3 2,-0.4 -0.585 30.0-151.2 -84.1 150.0 22.7 44.9 10.5 346 66 B V E +l 293 0C 3 26,-1.7 2,-0.2 -54,-0.2 -52,-0.2 -0.998 21.6 162.7-128.3 132.7 20.7 43.6 7.5 347 67 B S > - 0 0 51 -54,-1.9 3,-2.4 -2,-0.4 24,-0.0 -0.726 38.4 -0.2-136.8-178.8 17.5 41.7 7.7 348 68 B X T 3 S+ 0 0 108 1,-0.4 -53,-2.4 -2,-0.2 -1,-0.2 -0.195 119.4 14.1 -49.3 138.7 14.6 40.7 5.3 349 69 B P T 3 S+ 0 0 53 0, 0.0 -1,-0.4 0, 0.0 4,-0.3 -0.815 124.7 52.3-105.6 33.9 14.3 41.4 2.6 350 70 B N S <> S+ 0 0 0 -3,-2.4 4,-2.6 -57,-0.3 -2,-0.2 0.318 71.0 101.1-106.7 1.1 17.9 42.5 1.9 351 71 B K H > S+ 0 0 38 2,-0.2 20,-2.1 1,-0.2 4,-0.5 0.884 91.2 38.9 -60.8 -38.9 20.1 39.7 3.2 352 72 B Q H >4 S+ 0 0 149 18,-0.2 3,-1.3 2,-0.2 4,-0.5 0.959 117.0 49.2 -73.8 -47.7 20.8 38.2 -0.3 353 73 B L H >4 S+ 0 0 49 -4,-0.3 3,-1.6 1,-0.3 4,-0.3 0.872 100.0 67.2 -60.6 -39.3 21.1 41.6 -2.1 354 74 B A H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.3 -1,-0.3 0.768 85.9 69.4 -53.2 -32.1 23.5 42.9 0.5 355 75 B C G X< S+ 0 0 15 -3,-1.3 3,-1.0 -4,-0.5 -1,-0.3 0.874 95.3 56.0 -56.0 -31.2 26.2 40.4 -0.6 356 76 B E G < S+ 0 0 151 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.594 104.4 54.6 -78.6 -7.8 26.5 42.4 -3.8 357 77 B Y G < S+ 0 0 82 -3,-1.5 2,-0.3 -4,-0.3 -1,-0.2 0.311 89.7 85.3-109.4 6.4 27.2 45.7 -1.9 358 78 B V < - 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