==== 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 ISOMERASE 19-NOV-03 1V4V . COMPND 2 MOLECULE: UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR B.BAGAUTDINOV,T.H.TAHIROV,RIKEN STRUCTURAL GENOMICS/PROTEOMI . 745 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32054.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 509 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 41 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 264 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.7 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 0 1 1 0 1 7 1 4 8 0 1 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 11 6 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 4 A G 0 0 59 0, 0.0 30,-0.2 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 165.6 89.1 36.2 -45.4 2 5 A X + 0 0 115 28,-0.1 2,-0.2 29,-0.0 29,-0.2 0.845 360.0 70.9 -81.4 -35.9 85.7 35.0 -46.6 3 6 A K E S-a 31 0A 51 27,-2.8 29,-1.7 87,-0.0 2,-0.5 -0.565 74.1-144.9 -82.7 145.9 85.1 32.6 -43.8 4 7 A R E -a 32 0A 82 84,-0.3 86,-2.9 -2,-0.2 87,-1.1 -0.947 10.6-167.9-117.0 130.3 84.3 33.9 -40.3 5 8 A V E -ab 33 91A 0 27,-2.5 29,-2.7 -2,-0.5 2,-0.5 -0.952 9.4-156.3-119.0 113.4 85.4 32.2 -37.1 6 9 A V E -ab 34 92A 0 85,-2.5 87,-2.8 -2,-0.6 2,-0.6 -0.781 2.1-158.8 -94.7 125.1 83.9 33.4 -33.9 7 10 A L E -ab 35 93A 0 27,-3.4 29,-2.6 -2,-0.5 2,-0.5 -0.914 14.0-166.2-100.4 118.7 85.8 32.8 -30.6 8 11 A A E +a 36 0A 3 85,-2.4 87,-0.5 -2,-0.6 2,-0.3 -0.937 24.5 133.5-113.3 122.1 83.3 33.0 -27.8 9 12 A F E -a 37 0A 3 27,-1.6 29,-2.0 -2,-0.5 30,-0.5 -0.970 33.5-161.8-156.8 163.6 84.5 33.3 -24.2 10 13 A G + 0 0 12 28,-0.3 31,-0.4 -2,-0.3 30,-0.3 0.372 62.3 67.8-138.2 9.2 83.8 35.4 -21.0 11 14 A T S > S- 0 0 58 28,-0.1 4,-2.5 1,-0.1 3,-0.2 -0.931 75.8-118.1-130.8 157.0 86.6 35.2 -18.5 12 15 A R H > S+ 0 0 127 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.897 113.8 53.3 -59.1 -43.5 90.2 36.5 -18.4 13 16 A P H > S+ 0 0 83 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.880 111.4 47.2 -61.0 -36.2 91.8 33.0 -18.2 14 17 A E H > S+ 0 0 15 2,-0.2 4,-1.8 -3,-0.2 -2,-0.2 0.930 109.3 53.3 -69.5 -44.5 89.8 32.0 -21.2 15 18 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.908 107.1 53.3 -56.4 -42.9 90.8 35.1 -23.2 16 19 A T H < S+ 0 0 30 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.909 111.5 43.6 -59.8 -45.1 94.5 34.3 -22.4 17 20 A K H < S+ 0 0 53 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.728 117.1 47.4 -75.2 -20.6 94.3 30.8 -23.8 18 21 A X H >X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.1 3,-0.8 0.751 91.2 78.3 -91.3 -26.0 92.3 31.9 -26.8 19 22 A A H 3X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.3 5,-0.2 0.885 92.4 52.6 -49.7 -46.3 94.4 34.9 -27.8 20 23 A P H 3> S+ 0 0 11 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.856 110.9 48.1 -60.4 -34.5 97.1 32.7 -29.5 21 24 A V H <> S+ 0 0 0 -3,-0.8 4,-2.3 -4,-0.3 -2,-0.2 0.930 109.6 52.1 -70.4 -47.1 94.3 31.0 -31.5 22 25 A Y H X S+ 0 0 29 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.925 112.4 44.9 -54.3 -49.6 92.8 34.4 -32.6 23 26 A L H X S+ 0 0 36 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.865 111.8 52.0 -66.5 -36.2 96.1 35.7 -33.8 24 27 A A H < S+ 0 0 19 -4,-1.6 3,-0.4 -5,-0.2 -1,-0.2 0.858 109.5 50.5 -68.2 -34.8 97.0 32.4 -35.6 25 28 A L H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.857 101.9 60.9 -70.0 -36.1 93.6 32.5 -37.4 26 29 A R H 3< S+ 0 0 148 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.747 101.1 56.8 -63.2 -21.7 94.2 36.1 -38.5 27 30 A G T 3< S+ 0 0 64 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.382 87.0 92.8 -91.9 4.3 97.3 34.8 -40.4 28 31 A I S X S- 0 0 24 -3,-1.9 3,-1.8 3,-0.1 2,-0.0 -0.879 78.7-123.7-104.6 119.0 95.3 32.3 -42.4 29 32 A P T 3 S+ 0 0 115 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.323 95.7 25.5 -59.3 132.6 94.1 33.4 -45.9 30 33 A G T 3 S+ 0 0 20 1,-0.3 -27,-2.8 -2,-0.0 2,-0.4 0.352 106.8 94.2 95.4 -5.6 90.4 33.1 -46.4 31 34 A L E < -a 3 0A 7 -3,-1.8 -1,-0.3 -30,-0.2 -27,-0.2 -0.925 48.8-171.6-123.3 146.9 89.6 33.3 -42.7 32 35 A K E -a 4 0A 85 -29,-1.7 -27,-2.5 -2,-0.4 2,-0.2 -0.970 17.1-145.0-136.6 117.6 88.7 36.2 -40.4 33 36 A P E -a 5 0A 8 0, 0.0 2,-0.3 0, 0.0 -27,-0.2 -0.577 17.4-173.8 -83.9 146.8 88.6 35.7 -36.6 34 37 A L E -a 6 0A 23 -29,-2.7 -27,-3.4 -2,-0.2 2,-0.5 -0.965 15.7-134.8-136.3 153.7 86.0 37.5 -34.5 35 38 A V E -a 7 0A 1 -2,-0.3 22,-2.7 20,-0.2 23,-1.7 -0.947 13.6-174.0-118.7 126.6 85.4 37.7 -30.8 36 39 A L E -ac 8 58A 0 -29,-2.6 -27,-1.6 -2,-0.5 2,-0.3 -0.969 18.1-147.7-114.5 113.5 82.1 37.4 -28.9 37 40 A L E +ac 9 59A 4 21,-2.8 23,-2.1 -2,-0.6 -27,-0.3 -0.657 18.4 177.9 -81.9 140.2 82.4 38.1 -25.2 38 41 A T + 0 0 6 -29,-2.0 -28,-0.3 -2,-0.3 -1,-0.1 0.280 45.6 89.2-125.7 9.0 80.0 36.1 -23.1 39 42 A G S S- 0 0 26 -30,-0.5 23,-0.3 2,-0.1 3,-0.2 -0.200 79.2-104.4-101.5-168.4 80.8 37.2 -19.5 40 43 A Q S S+ 0 0 72 -30,-0.3 2,-0.6 1,-0.2 -29,-0.1 0.645 100.6 61.5 -91.5 -20.2 79.9 39.7 -16.9 41 44 A H > + 0 0 90 -31,-0.4 4,-2.7 1,-0.2 5,-0.3 -0.664 53.3 166.1-115.9 79.5 82.9 42.1 -16.9 42 45 A R H > S+ 0 0 120 -2,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.942 80.5 42.7 -52.4 -59.0 83.1 43.7 -20.4 43 46 A E H > S+ 0 0 116 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.865 114.6 52.4 -59.5 -38.4 85.5 46.4 -19.5 44 47 A Q H > S+ 0 0 79 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.927 114.8 39.3 -64.9 -47.1 87.6 44.0 -17.4 45 48 A L H X S+ 0 0 5 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.826 110.3 62.2 -72.0 -31.5 88.0 41.4 -20.2 46 49 A R H X S+ 0 0 76 -4,-2.6 4,-0.5 -5,-0.3 -1,-0.2 0.870 105.3 46.2 -60.5 -38.4 88.4 44.2 -22.7 47 50 A Q H X S+ 0 0 128 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.800 107.9 57.0 -75.5 -30.3 91.5 45.3 -21.0 48 51 A A H >< S+ 0 0 26 -4,-1.1 3,-0.6 1,-0.2 4,-0.5 0.888 105.4 50.0 -68.0 -39.7 92.9 41.8 -20.8 49 52 A L H 3<>S+ 0 0 1 -4,-2.0 5,-2.2 1,-0.2 3,-0.4 0.686 94.6 78.1 -72.1 -17.1 92.6 41.4 -24.5 50 53 A S H ><5S+ 0 0 50 -4,-0.5 3,-2.0 1,-0.2 -1,-0.2 0.892 83.5 60.7 -58.9 -43.8 94.5 44.7 -24.9 51 54 A L T <<5S+ 0 0 51 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.873 109.1 43.5 -51.8 -40.7 97.9 43.1 -24.1 52 55 A F T 3 5S- 0 0 10 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.403 117.6-112.9 -87.9 2.9 97.5 40.8 -27.1 53 56 A G T < 5S+ 0 0 41 -3,-2.0 2,-0.4 -4,-0.3 -3,-0.2 0.904 70.2 138.9 67.8 42.4 96.2 43.6 -29.4 54 57 A I < - 0 0 2 -5,-2.2 2,-0.3 -8,-0.1 -1,-0.2 -0.952 33.9-167.1-123.3 139.5 92.7 42.1 -29.7 55 58 A Q - 0 0 113 -2,-0.4 -20,-0.2 -5,-0.0 2,-0.2 -0.910 25.6-115.6-120.8 149.7 89.4 43.9 -29.6 56 59 A E - 0 0 17 -2,-0.3 -20,-0.2 1,-0.1 3,-0.1 -0.516 12.6-157.1 -84.7 156.7 86.0 42.2 -29.2 57 60 A D S S+ 0 0 88 -22,-2.7 2,-0.3 1,-0.3 -21,-0.2 0.707 73.0 2.3-101.9 -28.2 83.4 42.4 -32.0 58 61 A R E -c 36 0A 68 -23,-1.7 -21,-2.8 2,-0.0 2,-0.4 -0.986 59.3-149.4-157.1 157.7 80.2 41.8 -29.9 59 62 A N E -c 37 0A 50 -2,-0.3 -21,-0.2 -23,-0.2 2,-0.2 -0.989 16.0-131.1-133.8 142.5 79.1 41.2 -26.3 60 63 A L - 0 0 15 -23,-2.1 2,-0.9 -2,-0.4 16,-0.1 -0.533 31.7-110.4 -85.7 159.7 76.2 39.2 -24.9 61 64 A D + 0 0 102 -2,-0.2 2,-0.4 14,-0.2 18,-0.1 -0.813 47.3 173.1 -95.6 104.2 73.9 40.9 -22.3 62 65 A V - 0 0 18 -2,-0.9 -23,-0.0 -23,-0.3 10,-0.0 -0.934 30.9-120.1-118.9 135.2 74.7 39.2 -19.0 63 66 A X - 0 0 40 -2,-0.4 4,-0.1 1,-0.1 12,-0.0 -0.263 11.4-144.1 -64.9 154.3 73.4 40.1 -15.5 64 67 A Q S S+ 0 0 121 2,-0.1 -1,-0.1 -23,-0.0 3,-0.1 0.794 74.5 88.3 -89.0 -32.1 76.0 41.0 -12.9 65 68 A E S S- 0 0 135 1,-0.1 -2,-0.1 -25,-0.0 0, 0.0 -0.272 92.8 -92.9 -68.5 152.4 74.0 39.3 -10.0 66 69 A R - 0 0 224 1,-0.0 2,-0.3 -2,-0.0 -1,-0.1 -0.271 50.8-168.4 -59.9 149.8 74.4 35.7 -9.1 67 70 A Q - 0 0 56 -3,-0.1 5,-0.0 -4,-0.1 -1,-0.0 -1.000 26.7 -98.8-150.4 144.9 71.8 33.5 -10.9 68 71 A A > - 0 0 51 -2,-0.3 4,-2.3 1,-0.1 3,-0.4 -0.303 40.2-117.2 -59.5 142.4 70.4 30.0 -10.8 69 72 A L H > S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.868 111.3 50.9 -52.5 -46.3 71.9 27.7 -13.4 70 73 A P H > S+ 0 0 3 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.908 112.8 47.4 -61.4 -38.4 68.7 27.0 -15.4 71 74 A D H > S+ 0 0 61 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.888 110.6 51.7 -69.2 -38.6 67.9 30.7 -15.6 72 75 A L H X S+ 0 0 31 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.953 110.2 48.2 -62.4 -49.4 71.5 31.6 -16.7 73 76 A A H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.902 111.9 49.9 -57.4 -42.4 71.4 29.0 -19.5 74 77 A A H < S+ 0 0 15 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.843 110.3 51.2 -65.3 -33.8 68.0 30.3 -20.6 75 78 A R H X S+ 0 0 100 -4,-1.9 4,-0.5 -3,-0.1 -1,-0.2 0.853 116.3 40.4 -71.1 -36.4 69.4 33.9 -20.6 76 79 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.1 5,-0.3 0.918 101.8 67.6 -79.3 -47.4 72.4 33.0 -22.7 77 80 A L H X S+ 0 0 4 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.851 101.7 40.2 -45.2 -57.9 71.0 30.6 -25.3 78 81 A P H > S+ 0 0 21 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.938 118.4 44.7 -62.7 -49.5 68.7 32.8 -27.4 79 82 A Q H X S+ 0 0 28 -4,-0.5 4,-2.1 1,-0.2 -2,-0.2 0.798 112.8 53.3 -66.9 -26.9 70.9 35.9 -27.6 80 83 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.919 108.6 48.9 -72.0 -43.7 74.0 33.7 -28.3 81 84 A A H X S+ 0 0 2 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.914 114.2 46.4 -60.1 -44.2 72.2 32.0 -31.2 82 85 A R H X S+ 0 0 120 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.901 111.5 51.2 -65.8 -42.6 71.2 35.4 -32.6 83 86 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.907 110.8 47.7 -62.7 -42.8 74.7 36.9 -32.2 84 87 A L H <>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 4,-0.2 0.868 114.9 46.2 -67.8 -34.8 76.4 34.0 -34.0 85 88 A K H ><5S+ 0 0 142 -4,-1.7 3,-1.0 -5,-0.2 -2,-0.2 0.917 113.8 47.3 -72.8 -44.5 73.9 34.2 -36.8 86 89 A E H 3<5S+ 0 0 116 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.779 109.2 54.5 -68.3 -27.7 74.1 38.0 -37.2 87 90 A X T 3<5S- 0 0 23 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.543 110.9-125.9 -81.6 -7.8 77.9 37.9 -37.0 88 91 A G T < 5 - 0 0 34 -3,-1.0 -84,-0.3 -4,-0.2 -3,-0.2 0.797 36.6-168.7 68.1 32.4 77.7 35.4 -40.0 89 92 A A < - 0 0 11 -5,-2.2 -1,-0.2 -6,-0.2 -84,-0.2 -0.262 24.3-179.4 -59.4 132.0 79.8 32.7 -38.2 90 93 A D S S+ 0 0 62 -86,-2.9 2,-0.3 1,-0.4 -85,-0.2 0.514 78.6 13.4-103.5 -13.4 81.0 29.8 -40.3 91 94 A Y E -b 5 0A 1 -87,-1.1 -85,-2.5 22,-0.1 2,-0.4 -0.969 68.1-150.2-160.5 146.3 82.7 28.2 -37.3 92 95 A V E -bd 6 115A 0 22,-2.1 24,-3.4 -2,-0.3 2,-0.5 -0.982 5.3-162.3-126.7 135.2 82.6 28.7 -33.6 93 96 A L E +bd 7 116A 0 -87,-2.8 -85,-2.4 -2,-0.4 2,-0.3 -0.957 12.5 177.3-117.0 131.0 85.4 28.1 -31.1 94 97 A V E - d 0 117A 0 22,-2.5 24,-2.9 -2,-0.5 2,-0.3 -0.868 9.3-160.0-126.8 164.5 84.7 27.7 -27.4 95 98 A H E + d 0 118A 12 -87,-0.5 3,-0.3 -2,-0.3 24,-0.1 -0.997 45.2 16.7-144.5 144.6 87.0 26.9 -24.4 96 99 A G S S- 0 0 14 22,-0.9 -2,-0.0 -2,-0.3 22,-0.0 -0.281 77.5 -83.3 94.0-177.5 86.4 25.6 -20.9 97 100 A D S S+ 0 0 39 -2,-0.1 40,-0.2 4,-0.0 39,-0.2 0.068 70.8 130.4-123.4 21.4 83.7 23.9 -19.0 98 101 A T > - 0 0 51 -3,-0.3 4,-1.7 1,-0.1 5,-0.2 -0.327 67.6-115.8 -77.1 163.7 81.3 26.7 -17.9 99 102 A L H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.893 117.8 54.7 -61.9 -40.6 77.5 26.6 -18.3 100 103 A T H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.898 103.3 55.8 -61.8 -40.1 77.8 29.6 -20.6 101 104 A T H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 111.0 43.2 -60.3 -43.6 80.3 27.7 -22.8 102 105 A F H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.924 111.3 54.6 -68.3 -41.8 77.9 24.9 -23.3 103 106 A A H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.891 111.1 46.3 -58.0 -39.2 75.0 27.2 -23.9 104 107 A V H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.917 112.2 49.8 -69.4 -43.3 77.0 29.0 -26.6 105 108 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.883 112.2 48.2 -62.6 -38.7 78.0 25.7 -28.2 106 109 A W H X S+ 0 0 2 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.895 109.6 52.7 -69.7 -37.6 74.4 24.5 -28.2 107 110 A A H X S+ 0 0 0 -4,-2.0 4,-1.3 -5,-0.3 -2,-0.2 0.926 110.6 48.0 -61.6 -44.7 73.2 27.8 -29.7 108 111 A A H <>S+ 0 0 0 -4,-2.5 5,-3.0 1,-0.2 3,-0.5 0.935 111.7 49.6 -61.3 -47.4 75.8 27.4 -32.5 109 112 A F H ><5S+ 0 0 22 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.918 109.1 51.7 -58.6 -44.7 74.7 23.8 -33.1 110 113 A L H 3<5S+ 0 0 12 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.763 109.7 50.3 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102.8 42.2 -8.0 260 263 A L - 0 0 46 -27,-0.1 2,-0.1 -3,-0.1 -3,-0.0 -0.536 14.9-104.9 -96.1 161.8 103.3 42.5 -11.7 261 264 A E > - 0 0 163 -2,-0.2 4,-2.6 1,-0.1 5,-0.3 -0.428 42.4 -97.8 -79.7 159.8 100.7 42.2 -14.6 262 265 A Y H > S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.893 122.5 41.6 -42.8 -55.5 100.7 39.1 -16.7 263 266 A G H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -77,-0.2 0.897 113.4 50.3 -64.3 -43.9 102.8 40.6 -19.5 264 267 A S H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.871 112.8 48.1 -64.4 -36.4 105.3 42.4 -17.4 265 268 A X H X S+ 0 0 21 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.905 110.3 51.0 -70.1 -41.6 106.0 39.3 -15.3 266 269 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.898 110.9 49.4 -62.0 -40.3 106.4 37.1 -18.5 267 270 A A H X S+ 0 0 2 -4,-2.3 4,-1.7 -85,-0.2 -1,-0.2 0.916 110.3 50.5 -64.9 -43.4 108.9 39.7 -19.8 268 271 A L H < S+ 0 0 0 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.937 111.8 47.2 -60.3 -48.3 110.8 39.7 -16.6 269 272 A X H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.929 109.0 53.9 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-78,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.870 59.1-154.8-105.4 128.5 104.1 28.2 -7.3 280 283 A G H > S+ 0 0 22 -2,-0.5 4,-2.0 1,-0.2 5,-0.2 0.897 97.2 53.5 -65.8 -39.4 103.1 25.5 -9.7 281 284 A G H > S+ 0 0 43 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.924 111.2 44.0 -61.8 -45.9 101.6 28.0 -12.1 282 285 A L H > S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.849 108.7 58.3 -69.1 -32.6 104.7 30.1 -12.3 283 286 A Q H X S+ 0 0 11 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.924 107.7 47.4 -62.4 -41.4 106.9 27.0 -12.7 284 287 A E H X S+ 0 0 53 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.851 109.5 53.5 -68.3 -33.4 104.8 26.2 -15.8 285 288 A E H X S+ 0 0 37 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.912 106.4 52.3 -67.0 -41.3 105.2 29.7 -17.1 286 289 A G H <>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 4,-0.5 0.938 107.8 52.3 -59.0 -44.1 108.9 29.5 -16.7 287 290 A A H ><5S+ 0 0 11 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.837 103.2 57.3 -61.3 -33.7 108.9 26.3 -18.7 288 291 A A H 3<5S+ 0 0 12 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.884 111.2 43.6 -64.9 -35.4 106.9 27.9 -21.5 289 292 A L T 3<5S- 0 0 25 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.448 115.9-115.0 -88.3 -1.8 109.7 30.5 -21.9 290 293 A G T < 5 + 0 0 27 -3,-0.8 -3,-0.2 -4,-0.5 -2,-0.1 0.839 65.8 149.0 70.9 30.8 112.5 28.0 -21.6 291 294 A V < - 0 0 7 -5,-2.8 -1,-0.3 -6,-0.2 -17,-0.1 -0.873 51.9-114.9-101.7 127.0 113.6 29.5 -18.3 292 295 A P - 0 0 1 0, 0.0 -17,-2.4 0, 0.0 2,-0.4 -0.286 34.2-154.2 -57.3 141.9 115.2 27.1 -15.8 293 296 A V E -jk 275 311B 0 17,-1.0 19,-2.3 -19,-0.2 2,-0.5 -0.980 15.5-164.7-128.7 131.7 113.1 26.8 -12.6 294 297 A V E -jk 276 312B 0 -19,-3.0 -17,-2.4 -2,-0.4 2,-0.5 -0.956 18.4-148.3-110.5 125.8 114.1 25.9 -9.1 295 298 A V E -jk 277 313B 11 17,-3.1 19,-3.0 -2,-0.5 2,-1.9 -0.846 8.5-145.9-101.6 124.3 111.1 25.0 -6.8 296 299 A L + 0 0 0 -19,-3.0 2,-0.3 -2,-0.5 17,-0.1 -0.466 68.8 93.0 -85.8 65.8 111.2 25.7 -3.1 297 300 A R S S- 0 0 33 -2,-1.9 18,-1.8 1,-0.1 17,-0.3 -0.955 76.1-128.0-148.9 161.5 109.3 22.6 -2.1 298 301 A N S S+ 0 0 117 -2,-0.3 2,-0.3 1,-0.2 15,-0.1 0.708 95.3 20.6 -86.7 -21.2 110.1 19.1 -1.0 299 302 A V S S- 0 0 87 -3,-0.0 2,-0.3 16,-0.0 -1,-0.2 -0.972 80.4-113.8-144.8 156.6 107.8 17.6 -3.6 300 303 A T - 0 0 28 -2,-0.3 13,-0.0 1,-0.1 -2,-0.0 -0.649 9.7-141.2 -93.9 150.4 106.2 18.6 -6.9 301 304 A E S S+ 0 0 118 -2,-0.3 -1,-0.1 1,-0.2 -21,-0.0 0.305 96.2 32.9 -88.0 7.1 102.4 19.0 -7.5 302 305 A R > - 0 0 120 1,-0.1 4,-0.8 2,-0.0 3,-0.3 -0.831 64.7-154.8-164.9 121.1 103.0 17.5 -10.9 303 306 A P H > S+ 0 0 89 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.737 84.9 77.3 -71.3 -23.5 105.5 14.8 -12.0 304 307 A E H > S+ 0 0 64 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.938 95.5 46.1 -51.9 -54.8 105.6 15.9 -15.7 305 308 A G H >>S+ 0 0 0 -3,-0.3 5,-1.9 2,-0.2 4,-1.1 0.921 115.1 44.7 -55.9 -51.4 107.8 18.8 -15.1 306 309 A L H ><5S+ 0 0 79 -4,-0.8 3,-0.7 1,-0.2 -1,-0.2 0.933 115.4 49.4 -59.6 -46.1 110.3 17.0 -12.9 307 310 A K H 3<5S+ 0 0 194 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.888 109.8 51.0 -60.7 -40.8 110.3 14.1 -15.3 308 311 A A H 3<5S- 0 0 33 -4,-2.8 -1,-0.2 -5,-0.3 34,-0.2 0.673 110.3-123.5 -72.5 -17.5 110.9 16.4 -18.3 309 312 A G T <<5S+ 0 0 32 -4,-1.1 32,-0.2 -3,-0.7 -3,-0.2 0.793 75.0 124.2 79.7 29.0 113.8 18.1 -16.5 310 313 A I S - 0 0 97 -3,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.717 66.1-137.2 -80.3 123.7 115.4 23.6 4.3 318 321 A P H > S+ 0 0 40 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.861 101.4 46.3 -47.6 -50.1 117.3 26.9 4.3 319 322 A E H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.924 114.8 48.9 -62.5 -42.5 120.8 25.4 4.1 320 323 A G H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.881 108.4 52.4 -64.1 -39.5 119.6 23.1 1.3 321 324 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.927 110.7 48.5 -62.7 -44.5 118.0 25.9 -0.6 322 325 A Y H X S+ 0 0 37 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.943 112.9 47.8 -60.1 -48.7 121.2 27.9 -0.5 323 326 A R H X S+ 0 0 165 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.924 115.0 44.7 -59.8 -46.1 123.3 24.8 -1.7 324 327 A V H X S+ 0 0 30 -4,-2.7 4,-2.4 -10,-0.2 -2,-0.2 0.935 116.9 43.0 -66.2 -48.1 120.9 24.0 -4.5 325 328 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.932 117.0 46.5 -66.5 -43.9 120.5 27.5 -5.9 326 329 A K H X S+ 0 0 60 -4,-2.6 4,-1.2 -5,-0.3 -2,-0.2 0.934 113.3 50.4 -63.6 -43.5 124.2 28.4 -5.5 327 330 A G H < S+ 0 0 35 -4,-2.4 3,-0.3 -5,-0.3 -2,-0.2 0.909 111.9 47.0 -60.4 -42.9 125.2 25.1 -7.2 328 331 A L H >< S+ 0 0 2 -4,-2.4 3,-2.0 1,-0.2 7,-0.3 0.914 108.3 54.0 -66.5 -43.9 122.8 25.6 -10.1 329 332 A L H 3< S+ 0 0 24 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.745 111.0 48.3 -63.9 -21.4 123.9 29.2 -10.7 330 333 A E T 3< S+ 0 0 107 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.171 99.4 73.6-102.7 17.2 127.5 27.9 -10.9 331 334 A N <> + 0 0 53 -3,-2.0 4,-2.0 1,-0.1 3,-0.4 -0.720 53.2 173.6-129.6 79.0 126.6 25.1 -13.3 332 335 A P H > S+ 0 0 89 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.829 79.4 58.3 -56.9 -31.1 125.9 26.7 -16.7 333 336 A E H > S+ 0 0 128 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.911 106.2 46.8 -66.5 -41.8 125.6 23.2 -18.3 334 337 A E H > S+ 0 0 38 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.909 112.5 49.8 -67.3 -40.6 122.7 22.2 -16.0 335 338 A L H X S+ 0 0 11 -4,-2.0 4,-2.0 -7,-0.3 -2,-0.2 0.922 111.3 50.5 -61.8 -42.5 121.0 25.5 -16.6 336 339 A S H X S+ 0 0 40 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.890 106.7 53.5 -61.9 -43.0 121.4 25.0 -20.3 337 340 A R H X S+ 0 0 180 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.851 108.8 50.3 -61.4 -35.7 120.0 21.5 -20.2 338 341 A X H >< S+ 0 0 14 -4,-1.7 3,-0.6 1,-0.2 -1,-0.2 0.904 109.5 49.8 -70.9 -39.1 116.9 22.8 -18.5 339 342 A R H 3< S+ 0 0 93 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.807 114.4 46.0 -68.0 -28.6 116.4 25.5 -21.1 340 343 A K H 3< S+ 0 0 168 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.508 85.9 117.9 -91.7 -6.8 116.8 22.9 -23.9 341 344 A A S << S- 0 0 29 -4,-0.6 2,-0.3 -3,-0.6 -32,-0.1 -0.315 76.4-103.4 -63.1 142.8 114.4 20.4 -22.3 342 345 A K - 0 0 107 -34,-0.2 -1,-0.1 1,-0.1 -32,-0.1 -0.510 35.1-118.9 -68.4 128.2 111.3 19.5 -24.3 343 346 A N - 0 0 21 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 -0.585 18.4-154.8 -70.6 118.6 108.3 21.3 -22.8 344 347 A P S S+ 0 0 30 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.479 89.0 54.7 -74.1 -1.2 105.9 18.5 -21.7 345 348 A Y S S- 0 0 15 1,-0.4 -172,-2.4 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110.5 51.9 -63.1 -27.6 67.5 3.4 -8.0 735 365 B L T 3<5S- 0 0 23 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.276 118.4-111.1 -93.2 10.5 65.3 4.7 -5.2 736 366 B G T < 5S+ 0 0 69 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.665 88.7 112.5 70.6 20.2 66.2 1.9 -2.8 737 367 B L S