==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-JAN-08 2JZC . COMPND 2 MOLECULE: UDP-N-ACETYLGLUCOSAMINE TRANSFERASE SUBUNIT . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR X.WANG,T.WELDEGHORGHIS,G.ZHANG,B.IMEPRIALI,G.T.MONTELIONE, . 201 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11551.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 21 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 1 0 1 4 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 24 A G 0 0 92 0, 0.0 88,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-162.0 3.1 2.0 -2.2 2 25 A I - 0 0 86 3,-0.0 3,-0.1 2,-0.0 87,-0.0 0.918 360.0-162.0 -65.4 -44.5 4.3 4.8 -4.4 3 26 A I - 0 0 115 1,-0.1 2,-0.0 2,-0.1 0, 0.0 0.990 18.2-129.1 57.1 79.0 7.7 4.8 -2.7 4 27 A E + 0 0 156 1,-0.2 -1,-0.1 36,-0.1 36,-0.1 -0.317 65.3 107.0 -58.9 136.1 9.1 8.3 -3.6 5 28 A E S S+ 0 0 133 -3,-0.1 2,-0.4 33,-0.0 -1,-0.2 -0.078 75.1 7.1-167.7 -80.3 12.6 8.1 -5.1 6 29 A K - 0 0 32 32,-0.3 35,-0.3 33,-0.1 2,-0.2 -0.992 58.8-155.7-130.2 133.9 13.1 8.6 -8.9 7 30 A A - 0 0 6 -2,-0.4 2,-0.4 33,-0.2 105,-0.4 -0.576 9.9-139.0-101.2 167.0 10.5 9.7 -11.6 8 31 A L E -a 42 0A 10 33,-1.0 35,-1.2 -2,-0.2 2,-0.5 -0.934 16.4-172.7-133.9 109.0 10.6 9.0 -15.3 9 32 A F E -ab 43 113A 10 103,-1.3 105,-3.1 -2,-0.4 2,-0.4 -0.875 5.9-177.2-103.1 130.5 9.5 11.8 -17.7 10 33 A V E +ab 44 114A 12 33,-1.5 35,-1.0 -2,-0.5 2,-0.3 -0.990 4.1 176.2-130.9 137.2 9.2 11.0 -21.4 11 34 A T E - b 0 115A 5 103,-0.9 105,-1.0 -2,-0.4 107,-0.3 -1.000 24.4-163.3-142.6 137.9 8.3 13.4 -24.3 12 35 A C - 0 0 21 -2,-0.3 2,-1.1 1,-0.2 34,-0.1 0.579 24.4-173.4 -92.7 -14.1 8.1 12.8 -28.1 13 36 A G + 0 0 24 32,-0.4 34,-1.1 34,-0.1 -1,-0.2 -0.365 62.3 46.4 58.6 -93.6 8.2 16.6 -28.7 14 37 A A S S- 0 0 34 -2,-1.1 33,-0.3 1,-0.2 2,-0.1 0.018 118.7 -55.1 -66.1-179.6 7.6 16.5 -32.5 15 38 A T - 0 0 76 1,-0.1 -1,-0.2 31,-0.1 128,-0.0 -0.381 65.8-110.2 -62.1 132.2 4.8 14.4 -34.1 16 39 A V - 0 0 28 -3,-0.1 -1,-0.1 1,-0.1 36,-0.0 -0.271 19.6-128.7 -62.5 149.5 5.2 10.8 -33.1 17 40 A P S S- 0 0 31 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.991 81.8 -11.8 -63.8 -62.6 6.3 8.3 -35.9 18 41 A F >> - 0 0 103 1,-0.1 4,-1.6 -3,-0.0 3,-0.8 -0.999 58.6-126.5-142.5 138.8 3.5 5.7 -35.5 19 42 A P H 3> S+ 0 0 42 0, 0.0 4,-1.1 0, 0.0 36,-0.3 0.807 113.1 53.9 -52.4 -31.2 0.8 5.0 -32.7 20 43 A K H 3> S+ 0 0 156 2,-0.2 4,-1.1 1,-0.2 0, 0.0 0.850 103.3 54.6 -72.9 -37.0 2.1 1.4 -32.5 21 44 A L H <> S+ 0 0 64 -3,-0.8 4,-0.8 1,-0.2 3,-0.4 0.905 105.7 52.3 -63.9 -42.0 5.7 2.5 -31.9 22 45 A V H >X S+ 0 0 17 -4,-1.6 3,-0.9 1,-0.2 4,-0.7 0.870 98.7 66.2 -61.4 -38.3 4.7 4.7 -28.9 23 46 A S H >< S+ 0 0 10 -4,-1.1 3,-2.0 1,-0.3 7,-0.3 0.904 92.6 60.4 -51.6 -42.9 2.9 1.7 -27.4 24 47 A C H >< S+ 0 0 25 -4,-1.1 6,-1.0 -3,-0.4 3,-0.8 0.885 106.3 46.7 -51.8 -41.4 6.2 -0.1 -26.9 25 48 A V H << S+ 0 0 34 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.580 126.7 31.0 -75.4 -13.0 7.3 2.8 -24.7 26 49 A L T << S+ 0 0 14 -3,-2.0 -1,-0.2 -4,-0.7 -2,-0.2 -0.160 110.0 79.7-139.3 40.2 3.9 2.6 -22.9 27 50 A S S <> S- 0 0 29 -3,-0.8 4,-3.5 -5,-0.1 5,-0.2 -0.514 101.4 -61.6-129.7-164.6 3.1 -1.2 -23.2 28 51 A D H > S+ 0 0 101 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.889 130.1 52.9 -53.1 -46.1 4.0 -4.4 -21.5 29 52 A E H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.962 115.8 38.1 -58.0 -53.5 7.7 -4.1 -22.5 30 53 A F H > S+ 0 0 12 -6,-1.0 4,-1.9 -7,-0.3 -2,-0.2 0.918 117.4 51.9 -63.4 -44.7 8.0 -0.6 -21.0 31 54 A C H X S+ 0 0 9 -4,-3.5 4,-2.2 2,-0.2 5,-0.3 0.943 110.0 47.7 -57.8 -51.5 5.7 -1.5 -18.0 32 55 A Q H X S+ 0 0 102 -4,-3.2 4,-1.6 1,-0.3 -1,-0.2 0.913 113.9 47.2 -55.9 -47.9 7.7 -4.6 -17.1 33 56 A E H < S+ 0 0 41 -4,-2.0 4,-0.3 -5,-0.3 -1,-0.3 0.812 109.3 57.6 -64.8 -29.5 11.0 -2.7 -17.3 34 57 A L H ><>S+ 0 0 6 -4,-1.9 3,-1.6 2,-0.2 5,-1.2 0.960 106.6 44.0 -65.9 -54.2 9.4 0.0 -15.2 35 58 A I H ><5S+ 0 0 73 -4,-2.2 3,-0.9 1,-0.3 -1,-0.2 0.840 112.6 54.6 -59.5 -32.3 8.5 -2.1 -12.2 36 59 A Q T 3<5S+ 0 0 135 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.628 107.3 52.2 -75.4 -13.1 11.9 -3.6 -12.6 37 60 A Y T < 5S- 0 0 33 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.388 125.5-100.5-101.4 -1.1 13.2 -0.0 -12.4 38 61 A G T < 5 - 0 0 36 -3,-0.9 -32,-0.3 -4,-0.4 -3,-0.2 0.917 46.6-139.6 82.7 41.7 11.4 0.8 -9.2 39 62 A F < + 0 0 51 -5,-1.2 -33,-0.1 -8,-0.1 -32,-0.1 0.257 35.3 160.4 -27.0 159.7 8.4 2.7 -10.8 40 63 A V - 0 0 8 52,-0.1 2,-0.3 -35,-0.1 -33,-0.2 0.273 62.5 -13.0-149.2 -73.8 7.2 5.9 -9.0 41 64 A R - 0 0 50 -35,-0.3 -33,-1.0 50,-0.1 2,-0.4 -0.864 59.6-157.7-149.0 106.1 5.2 8.5 -11.0 42 65 A L E -ac 8 93A 5 50,-0.6 52,-0.7 -2,-0.3 2,-0.4 -0.740 12.7-179.6 -89.1 130.2 5.1 8.3 -14.8 43 66 A I E +ac 9 94A 5 -35,-1.2 -33,-1.5 -2,-0.4 2,-0.3 -0.996 3.1 173.2-131.1 133.7 4.2 11.5 -16.7 44 67 A I E +a 10 0A 5 50,-2.7 2,-0.3 -2,-0.4 -33,-0.2 -0.999 7.3 150.6-142.7 140.9 4.0 11.7 -20.5 45 68 A Q + 0 0 5 -35,-1.0 -32,-0.4 -2,-0.3 2,-0.3 -0.888 11.4 128.8-170.3 137.1 2.8 14.5 -22.9 46 69 A F + 0 0 7 -2,-0.3 -32,-0.1 -35,-0.2 -31,-0.1 -0.935 30.6 67.9-168.6-172.1 3.6 15.6 -26.4 47 70 A G + 0 0 12 -34,-1.1 -34,-0.1 -33,-0.3 -33,-0.1 0.151 33.0 174.0 67.1 168.9 2.2 16.6 -29.8 48 71 A R S S+ 0 0 114 50,-0.0 29,-0.1 30,-0.0 -34,-0.1 -0.045 72.5 36.1-168.7 -74.7 0.1 19.7 -30.5 49 72 A N S S+ 0 0 123 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.929 125.8 41.8 -63.7 -46.4 -0.9 20.5 -34.1 50 73 A Y S S- 0 0 141 1,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.670 98.0-145.0 -73.7 -17.1 -1.3 16.8 -35.0 51 74 A S - 0 0 42 26,-0.0 26,-0.2 24,-0.0 24,-0.2 0.701 37.3-111.9 59.1 18.6 -3.0 16.4 -31.6 52 75 A S - 0 0 5 1,-0.1 23,-0.1 22,-0.0 25,-0.1 0.018 21.1-127.7 50.5-163.9 -1.4 12.9 -31.5 53 76 A E - 0 0 81 21,-0.1 3,-0.4 22,-0.1 -1,-0.1 0.449 19.5-157.0-145.2 -44.7 -3.7 9.9 -31.8 54 77 A F - 0 0 21 1,-0.2 2,-2.8 2,-0.1 -34,-0.1 0.864 27.8-119.5 54.4 108.4 -3.0 7.5 -28.9 55 78 A E - 0 0 99 -36,-0.3 -1,-0.2 1,-0.2 5,-0.1 -0.098 56.4 -92.2 -70.4 44.6 -4.1 3.9 -29.9 56 79 A H S > S+ 0 0 93 -2,-2.8 4,-2.9 -3,-0.4 -1,-0.2 0.903 70.1 164.8 45.0 48.6 -6.5 4.1 -26.9 57 80 A L H > + 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.870 69.1 55.7 -62.4 -38.6 -3.8 2.4 -24.8 58 81 A V H >>S+ 0 0 14 1,-0.2 5,-3.5 2,-0.2 4,-0.6 0.943 115.5 35.8 -60.2 -50.3 -5.5 3.4 -21.6 59 82 A Q H 45S+ 0 0 115 3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.859 113.3 59.7 -71.8 -37.5 -8.8 1.7 -22.6 60 83 A E H <5S+ 0 0 133 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.931 112.0 38.4 -57.2 -48.1 -7.0 -1.2 -24.4 61 84 A R H <5S- 0 0 106 -4,-2.3 -1,-0.3 -5,-0.2 26,-0.2 0.624 122.4-110.4 -77.7 -13.3 -5.2 -2.2 -21.2 62 85 A G T <5 + 0 0 52 -4,-0.6 -3,-0.2 -5,-0.2 25,-0.2 0.934 55.4 170.8 82.4 54.1 -8.4 -1.5 -19.2 63 86 A G < - 0 0 21 -5,-3.5 2,-0.4 -6,-0.1 23,-0.2 -0.181 30.8-118.4 -84.4-178.8 -7.3 1.6 -17.3 64 87 A Q E -D 85 0A 122 21,-0.9 2,-0.8 -2,-0.0 21,-0.6 -0.986 14.5-137.5-129.9 121.0 -9.6 4.0 -15.2 65 88 A R E -D 84 0A 71 -2,-0.4 19,-0.2 19,-0.2 3,-0.1 -0.678 24.4-177.6 -80.5 111.5 -10.0 7.7 -16.1 66 89 A E + 0 0 85 17,-1.6 -1,-0.1 -2,-0.8 3,-0.1 0.809 63.3 52.8 -72.4-109.0 -9.9 9.6 -12.8 67 90 A S S S- 0 0 45 1,-0.2 2,-1.1 2,-0.0 16,-0.2 0.023 91.5-128.9 -32.0 94.9 -10.5 13.4 -13.2 68 91 A Q + 0 0 166 -3,-0.1 -1,-0.2 14,-0.1 2,-0.2 -0.380 67.7 114.5 -58.9 94.2 -13.7 13.2 -15.1 69 92 A K + 0 0 114 -2,-1.1 12,-0.1 12,-0.2 -3,-0.0 -0.597 19.3 146.5-168.5 98.6 -12.9 15.5 -18.0 70 93 A I + 0 0 73 -2,-0.2 4,-0.1 1,-0.1 6,-0.1 -0.709 11.1 171.0-138.3 83.2 -12.6 14.3 -21.7 71 94 A P S S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.985 87.1 11.1 -55.0 -76.9 -13.7 17.0 -24.2 72 95 A I S S- 0 0 107 1,-0.3 2,-0.2 0, 0.0 3,-0.1 0.256 96.4-150.4 -87.7 8.8 -12.6 15.5 -27.6 73 96 A D > + 0 0 90 1,-0.2 3,-1.8 2,-0.1 -1,-0.3 -0.386 68.8 91.1 58.3-119.9 -11.9 12.1 -25.9 74 97 A Q T 3 S- 0 0 77 1,-0.3 -1,-0.2 -2,-0.2 -21,-0.1 -0.058 124.7 -32.3 36.9 -93.0 -9.1 10.5 -27.9 75 98 A F T 3 S- 0 0 8 -24,-0.2 -1,-0.3 -3,-0.1 4,-0.1 0.355 78.5-128.3-128.3 -8.1 -6.2 12.0 -25.9 76 99 A G X + 0 0 1 -3,-1.8 3,-1.0 2,-0.1 5,-0.1 0.975 33.3 179.1 53.2 65.1 -7.8 15.3 -24.9 77 100 A C T 3 S+ 0 0 14 1,-0.3 2,-0.7 -26,-0.2 -1,-0.1 0.919 78.6 56.3 -62.1 -44.8 -4.9 17.5 -26.1 78 101 A G T 3 S+ 0 0 78 -27,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.078 99.8 82.9 -79.9 37.0 -6.7 20.7 -25.1 79 102 A D < - 0 0 7 -3,-1.0 3,-0.1 -2,-0.7 -10,-0.0 -0.986 54.0-169.5-145.9 131.2 -7.0 19.2 -21.6 80 103 A T S S+ 0 0 97 -2,-0.3 2,-0.5 1,-0.2 -3,-0.1 0.290 76.2 84.8 -99.3 6.2 -4.4 19.2 -18.7 81 104 A A + 0 0 16 -12,-0.1 2,-0.6 -5,-0.1 -12,-0.2 -0.516 53.0 136.8-108.4 62.1 -6.6 16.8 -16.6 82 105 A R E + E 0 95A 5 13,-1.0 13,-1.9 -2,-0.5 2,-0.3 -0.952 18.5 152.2-111.6 114.7 -5.3 13.5 -18.1 83 106 A Q E + E 0 94A 62 -2,-0.6 -17,-1.6 11,-0.2 2,-0.3 -0.948 11.4 170.7-149.1 122.8 -4.7 10.8 -15.5 84 107 A Y E -DE 65 93A 6 9,-3.2 9,-2.1 -2,-0.3 2,-0.3 -0.960 13.9-156.6-133.6 151.8 -4.9 7.0 -15.9 85 108 A V E -DE 64 92A 13 -21,-0.6 -21,-0.9 -2,-0.3 2,-0.3 -0.952 11.1-138.5-129.2 147.7 -4.0 4.1 -13.7 86 109 A L S > S- 0 0 14 5,-1.6 2,-2.2 -2,-0.3 4,-1.8 -0.840 71.9 -26.3-108.0 144.0 -3.1 0.5 -14.6 87 110 A M T 4 S- 0 0 169 -2,-0.3 -2,-0.1 -26,-0.2 2,-0.0 -0.314 131.7 -28.9 56.8 -79.5 -4.3 -2.6 -12.7 88 111 A N T 4 S- 0 0 138 -2,-2.2 -1,-0.2 -24,-0.0 -25,-0.0 -0.383 119.4 -39.9-168.1 78.3 -4.6 -0.8 -9.4 89 112 A G T 4 S+ 0 0 30 2,-0.2 3,-0.2 -3,-0.1 -2,-0.1 0.579 104.1 121.1 74.4 8.5 -2.4 2.3 -8.8 90 113 A K S < S+ 0 0 62 -4,-1.8 2,-0.5 1,-0.2 -3,-0.1 0.997 76.2 17.1 -64.6 -76.0 0.4 0.3 -10.4 91 114 A L S S- 0 0 8 -5,-0.3 -5,-1.6 -50,-0.1 2,-0.7 -0.886 72.1-155.0-103.3 128.9 1.4 2.5 -13.4 92 115 A K E - E 0 85A 53 -2,-0.5 2,-0.6 -7,-0.2 -50,-0.6 -0.885 9.6-172.5-108.0 103.8 0.3 6.2 -13.3 93 116 A V E +cE 42 84A 7 -9,-2.1 -9,-3.2 -2,-0.7 2,-0.3 -0.866 17.6 161.6 -99.6 116.9 0.0 7.7 -16.8 94 117 A I E -cE 43 83A 43 -52,-0.7 -50,-2.7 -2,-0.6 2,-0.4 -0.989 21.2-168.4-137.1 144.2 -0.6 11.4 -16.6 95 118 A G E + E 0 82A 2 -13,-1.9 -13,-1.0 -2,-0.3 -50,-0.1 -0.973 26.6 140.2-137.9 120.6 -0.3 14.3 -19.1 96 119 A F + 0 0 62 -2,-0.4 2,-0.2 -15,-0.1 -16,-0.1 -0.203 52.4 73.2-155.2 52.8 -0.5 18.0 -18.1 97 120 A D - 0 0 3 -53,-0.1 2,-0.4 -51,-0.1 -1,-0.1 -0.844 45.1-169.9-169.3 129.7 2.1 20.0 -20.1 98 121 A F S S- 0 0 39 -2,-0.2 -52,-0.1 -3,-0.1 -50,-0.0 -0.813 76.2 -59.5-128.0 91.0 2.6 21.1 -23.7 99 122 A S S S+ 0 0 36 -2,-0.4 98,-0.1 1,-0.2 -53,-0.0 0.786 130.1 82.5 42.1 31.2 6.1 22.5 -24.4 100 123 A T S S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 91,-0.0 0.027 97.9 24.5-149.6 27.9 5.2 25.0 -21.7 101 124 A K S >> S+ 0 0 102 -4,-0.1 4,-1.7 3,-0.0 3,-1.0 0.285 78.6 114.6-170.4 -5.8 5.9 23.2 -18.4 102 125 A M H >> S+ 0 0 24 1,-0.3 4,-1.9 2,-0.2 3,-0.8 0.914 86.9 45.7 -43.1 -54.9 8.5 20.5 -19.3 103 126 A Q H 3> S+ 0 0 100 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.794 107.3 61.8 -59.4 -29.1 11.1 22.3 -17.1 104 127 A S H <> S+ 0 0 25 -3,-1.0 4,-0.9 1,-0.2 -1,-0.3 0.854 105.6 44.7 -65.6 -39.0 8.3 22.6 -14.5 105 128 A I H - 0 0 1 -107,-0.3 4,-2.6 1,-0.2 5,-0.3 -0.331 26.9-161.4 -55.0 108.8 14.2 16.4 -27.5 119 142 A T H > S+ 0 0 32 -2,-0.4 4,-1.0 1,-0.2 -1,-0.2 0.919 92.1 40.3 -60.0 -44.0 16.9 19.1 -27.9 120 143 A G H > S+ 0 0 5 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.946 113.6 53.3 -68.7 -50.8 15.5 21.1 -25.0 121 144 A S H > S+ 0 0 6 1,-0.3 4,-1.5 2,-0.2 3,-0.3 0.920 111.8 44.4 -52.1 -50.5 14.7 18.0 -22.8 122 145 A I H X S+ 0 0 3 -4,-2.6 4,-1.8 1,-0.2 -1,-0.3 0.795 103.3 70.8 -64.4 -29.1 18.2 16.6 -23.1 123 146 A L H X S+ 0 0 4 -4,-1.0 4,-1.7 -3,-0.3 -1,-0.2 0.942 103.6 37.2 -54.6 -53.9 19.6 20.2 -22.4 124 147 A D H X S+ 0 0 11 -4,-1.4 4,-2.1 -3,-0.3 6,-0.2 0.960 114.3 55.1 -64.2 -51.1 18.5 20.3 -18.8 125 148 A S H <>S+ 0 0 3 -4,-1.5 5,-2.3 1,-0.2 -1,-0.2 0.781 106.4 55.5 -52.8 -28.2 19.4 16.6 -18.2 126 149 A L H ><5S+ 0 0 10 -4,-1.8 3,-1.8 3,-0.2 57,-0.2 0.953 108.1 43.4 -71.1 -51.9 22.9 17.5 -19.5 127 150 A R H 3<5S+ 0 0 130 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.777 111.8 56.3 -64.8 -26.1 23.6 20.3 -17.0 128 151 A L T 3<5S- 0 0 65 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.165 108.5-127.6 -90.8 17.1 22.2 18.2 -14.3 129 152 A N T < 5 + 0 0 85 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.751 53.9 161.6 42.3 26.5 24.7 15.4 -15.2 130 153 A K < - 0 0 22 -5,-2.3 2,-0.7 -6,-0.2 -1,-0.2 -0.671 39.3-133.0 -79.4 121.1 21.6 13.2 -15.3 131 154 A P + 0 0 13 0, 0.0 2,-0.2 0, 0.0 -18,-0.1 -0.652 36.8 170.9 -79.6 113.9 22.2 10.0 -17.3 132 155 A L - 0 0 8 -2,-0.7 2,-0.5 -20,-0.1 27,-0.3 -0.648 32.7-119.3-115.3 171.9 19.3 9.5 -19.7 133 156 A I - 0 0 2 -20,-0.6 2,-0.7 -2,-0.2 -18,-0.2 -0.972 20.8-147.1-118.4 120.0 18.6 7.1 -22.6 134 157 A V E -f 160 0B 3 25,-2.8 27,-1.9 -2,-0.5 2,-1.2 -0.786 4.9-148.9 -90.9 117.1 18.0 8.6 -26.1 135 158 A C E -f 161 0B 10 -2,-0.7 2,-0.2 -20,-0.3 27,-0.2 -0.706 19.7-156.7 -85.2 100.6 15.6 6.7 -28.3 136 159 A V - 0 0 40 -2,-1.2 2,-1.0 25,-0.5 3,-0.2 -0.569 10.5-137.0 -79.1 140.2 17.0 7.3 -31.8 137 160 A N + 0 0 14 -2,-0.2 3,-0.2 1,-0.2 6,-0.1 -0.736 30.3 168.0-100.9 84.7 14.5 7.0 -34.7 138 161 A D S S+ 0 0 132 -2,-1.0 -1,-0.2 1,-0.2 -2,-0.0 0.831 76.8 61.4 -64.0 -32.2 16.4 5.1 -37.3 139 162 A S S S+ 0 0 92 -3,-0.2 -1,-0.2 2,-0.0 2,-0.1 0.922 108.0 44.7 -60.8 -46.1 13.2 4.6 -39.2 140 163 A L + 0 0 33 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.260 51.0 167.3 -90.2-178.9 12.6 8.3 -39.6 141 164 A M + 0 0 141 -2,-0.1 6,-0.2 5,-0.0 -1,-0.1 0.281 65.0 78.7-165.3 -27.8 15.1 11.0 -40.7 142 165 A D + 0 0 116 4,-0.1 2,-0.4 5,-0.0 3,-0.0 0.738 68.8 108.3 -66.2 -22.1 13.1 14.2 -41.5 143 166 A N > - 0 0 19 1,-0.2 4,-1.4 -6,-0.1 3,-0.4 -0.428 58.8-160.2 -61.6 113.6 12.9 14.7 -37.8 144 167 A H H > S+ 0 0 156 -2,-0.4 4,-1.9 1,-0.2 5,-0.2 0.831 87.8 67.0 -64.0 -32.6 15.2 17.7 -37.1 145 168 A Q H > S+ 0 0 11 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.920 101.9 45.3 -55.0 -47.1 15.3 16.6 -33.4 146 169 A Q H >> S+ 0 0 30 -3,-0.4 4,-2.3 2,-0.2 3,-0.7 0.898 105.1 61.9 -63.3 -42.0 17.3 13.4 -34.4 147 170 A Q H 3X S+ 0 0 91 -4,-1.4 4,-0.7 1,-0.3 -1,-0.2 0.926 106.0 46.3 -50.6 -45.6 19.6 15.4 -36.7 148 171 A I H 3X S+ 0 0 56 -4,-1.9 4,-0.7 1,-0.2 -1,-0.3 0.763 109.4 58.5 -66.7 -26.4 20.7 17.3 -33.6 149 172 A A H XX S+ 0 0 9 -4,-0.9 3,-2.7 -3,-0.7 4,-0.9 0.982 94.8 58.9 -68.1 -58.9 21.0 14.0 -31.8 150 173 A D H 3X S+ 0 0 95 -4,-2.3 4,-1.4 1,-0.3 -1,-0.2 0.747 99.6 63.8 -43.5 -24.2 23.6 12.4 -34.2 151 174 A K H 3X S+ 0 0 114 -4,-0.7 4,-1.3 -5,-0.3 -1,-0.3 0.882 92.9 59.6 -68.4 -40.3 25.7 15.4 -33.2 152 175 A F H < S+ 0 0 41 -4,-0.9 3,-0.5 1,-0.2 -1,-0.2 0.910 100.2 63.5 -57.5 -46.8 27.5 10.9 -30.6 154 177 A E H 3< S+ 0 0 163 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.885 106.5 45.1 -46.1 -43.0 30.1 12.7 -32.7 155 178 A L H 3< S- 0 0 112 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.814 144.1 -43.7 -70.5 -32.3 31.3 14.3 -29.4 156 179 A G S << S- 0 0 48 -4,-1.3 -3,-0.1 -3,-0.5 -4,-0.0 -0.193 79.2 -71.9-158.1-107.4 31.2 10.9 -27.7 157 180 A Y - 0 0 150 -5,-0.1 3,-0.4 -2,-0.1 -4,-0.2 -0.008 45.8-160.5-169.9 42.8 28.6 8.1 -27.8 158 181 A V - 0 0 12 -6,-0.2 2,-0.7 1,-0.2 -5,-0.1 0.063 49.5 -80.0 -31.9 137.8 25.5 9.4 -25.8 159 182 A W + 0 0 73 -27,-0.3 -25,-2.8 12,-0.1 2,-0.4 -0.307 67.7 174.2 -54.4 101.7 23.5 6.4 -24.8 160 183 A S E +f 134 0B 33 -2,-0.7 2,-0.3 -3,-0.4 -25,-0.2 -0.937 8.9 147.2-114.8 133.2 21.6 5.8 -28.0 161 184 A C E -f 135 0B 20 -27,-1.9 -25,-0.5 -2,-0.4 7,-0.0 -0.935 40.7-120.1-163.3 138.7 19.3 2.8 -28.6 162 185 A A - 0 0 32 -2,-0.3 2,-1.8 -27,-0.2 6,-0.2 -0.412 53.7 -76.0 -81.5 157.1 16.1 2.3 -30.7 163 186 A P S S+ 0 0 29 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.293 84.7 132.4 -56.9 82.9 12.8 1.1 -29.0 164 187 A T > - 0 0 62 -2,-1.8 4,-2.6 1,-0.1 5,-0.4 -0.977 63.4-132.8-134.9 148.9 13.8 -2.6 -28.5 165 188 A E T 4 S+ 0 0 116 -2,-0.3 4,-0.3 1,-0.2 -1,-0.1 0.768 113.0 40.4 -69.9 -25.9 13.5 -4.9 -25.4 166 189 A T T 4 S+ 0 0 98 2,-0.1 4,-0.4 3,-0.1 -1,-0.2 0.784 125.6 34.0 -89.9 -35.6 17.1 -6.0 -26.1 167 190 A G T > S+ 0 0 22 -5,-0.2 4,-1.2 2,-0.1 3,-0.3 0.848 113.8 55.1 -88.7 -41.8 18.6 -2.5 -27.0 168 191 A L H X S+ 0 0 28 -4,-2.6 4,-1.7 1,-0.2 3,-0.2 0.857 105.1 54.7 -62.9 -36.2 16.5 -0.2 -24.7 169 192 A I H > S+ 0 0 60 -5,-0.4 4,-2.5 -4,-0.3 5,-0.3 0.842 101.0 59.8 -66.0 -33.9 17.5 -2.2 -21.6 170 193 A A H > S+ 0 0 62 -4,-0.4 4,-1.5 -3,-0.3 -1,-0.2 0.887 107.4 45.2 -61.7 -39.6 21.2 -1.7 -22.4 171 194 A G H X S+ 0 0 4 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.868 112.2 52.2 -71.7 -38.2 20.8 2.1 -22.3 172 195 A L H X S+ 0 0 12 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.966 113.0 41.5 -63.3 -54.8 18.8 2.0 -19.1 173 196 A R H >< S+ 0 0 185 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.865 116.1 52.0 -61.7 -36.4 21.3 -0.2 -17.1 174 197 A A H >X S+ 0 0 13 -4,-1.5 4,-1.8 -5,-0.3 3,-1.5 0.882 102.7 57.2 -68.1 -39.2 24.1 1.9 -18.6 175 198 A S H 3< S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.711 104.7 54.5 -65.6 -18.0 22.6 5.1 -17.6 176 199 A Q T << S+ 0 0 96 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 -0.036 112.9 41.6-104.1 30.0 22.6 3.8 -14.0 177 200 A T T <4 S+ 0 0 99 -3,-1.5 2,-0.3 1,-0.5 -2,-0.2 0.470 118.1 25.2-141.4 -33.0 26.4 3.1 -14.0 178 201 A E < - 0 0 122 -4,-1.8 -1,-0.5 -47,-0.0 2,-0.3 -0.977 61.8-146.2-141.6 154.1 28.0 6.0 -15.8 179 202 A K - 0 0 132 -2,-0.3 2,-0.3 -3,-0.1 -49,-0.1 -0.815 27.7-105.1-118.1 157.5 27.3 9.7 -16.5 180 203 A L - 0 0 73 -2,-0.3 3,-0.2 1,-0.1 -51,-0.0 -0.648 45.2 -99.6 -84.3 136.3 28.1 12.0 -19.4 181 204 A K - 0 0 177 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 -0.244 54.8 -83.6 -52.8 135.2 30.9 14.4 -18.9 182 205 A P S S+ 0 0 118 0, 0.0 -1,-0.2 0, 0.0 -55,-0.1 -0.182 72.6 147.2 -45.4 101.9 29.6 18.0 -18.1 183 206 A F - 0 0 101 -2,-0.3 2,-1.3 -57,-0.2 -56,-0.1 -0.652 23.5-176.2-142.1 82.8 28.8 19.3 -21.6 184 207 A P - 0 0 71 0, 0.0 4,-0.1 0, 0.0 -61,-0.1 -0.645 19.6-151.0 -84.5 93.0 25.8 21.8 -21.8 185 208 A V + 0 0 46 -2,-1.3 3,-0.5 2,-0.1 -58,-0.1 -0.247 67.4 22.4 -60.7 150.4 25.5 22.5 -25.5 186 209 A S S S- 0 0 54 1,-0.2 2,-3.4 6,-0.0 6,-0.1 0.865 90.2-110.0 55.9 109.8 24.0 25.9 -26.4 187 210 A H S S+ 0 0 194 2,-0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.307 92.4 78.9 -67.5 66.9 24.4 28.4 -23.5 188 211 A N S S- 0 0 46 -2,-3.4 0, 0.0 -3,-0.5 0, 0.0 -0.913 77.5-113.6-169.8 142.9 20.6 28.4 -22.8 189 212 A P > - 0 0 61 0, 0.0 3,-2.4 0, 0.0 4,-0.3 -0.118 57.1 -75.6 -73.6 177.4 18.1 26.1 -21.0 190 213 A S T >> S+ 0 0 14 1,-0.3 3,-1.1 -70,-0.3 4,-0.9 0.633 119.3 88.9 -49.4 -11.5 15.2 24.2 -22.7 191 214 A F H >> S+ 0 0 109 1,-0.3 3,-1.3 2,-0.2 4,-0.7 0.903 73.3 66.5 -54.6 -43.2 13.6 27.7 -22.8 192 215 A E H X> S+ 0 0 96 -3,-2.4 3,-1.1 1,-0.3 4,-0.5 0.853 95.7 57.0 -47.0 -39.2 15.4 28.2 -26.2 193 216 A R H X> S+ 0 0 37 -3,-1.1 3,-2.3 -4,-0.3 4,-1.2 0.889 90.2 72.4 -60.3 -39.9 13.1 25.4 -27.6 194 217 A L H