==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 26-AUG-10 3OLP . COMPND 2 MOLECULE: PHOSPHOGLUCOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR L.J.BEAMER,R.MEHRA-CHAUDHARY . 1086 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38120.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 754 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 . 55 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 136 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 309 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 1 2 3 4 4 0 3 1 4 2 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 10 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 PARALLEL BRIDGES PER LADDER . 7 4 4 6 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 8 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 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 2 A A 0 0 132 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -14.0 0.8 -18.7 3.0 2 3 A I - 0 0 133 271,-0.1 271,-0.2 272,-0.0 270,-0.1 -0.733 360.0-161.3-101.5 108.2 -1.1 -19.9 6.1 3 4 A H > - 0 0 83 269,-3.6 3,-1.8 -2,-0.7 271,-0.2 -0.322 32.8-108.1 -81.7 154.8 0.3 -22.8 8.1 4 5 A N T 3 S+ 0 0 151 1,-0.3 -1,-0.1 269,-0.1 269,-0.1 0.829 120.6 44.7 -45.1 -38.7 -1.5 -25.1 10.7 5 6 A R T > S+ 0 0 55 267,-0.1 3,-2.1 2,-0.1 265,-0.3 0.324 79.1 136.2 -98.7 7.3 0.5 -23.4 13.5 6 7 A A T < S+ 0 0 20 -3,-1.8 265,-0.2 266,-0.3 266,-0.2 -0.299 77.3 12.6 -54.2 131.9 0.1 -19.8 12.4 7 8 A G T 3 S+ 0 0 22 263,-2.9 -1,-0.3 1,-0.3 264,-0.1 0.345 96.7 127.1 82.2 -7.5 -0.8 -17.6 15.4 8 9 A Q < - 0 0 79 -3,-2.1 262,-3.6 263,-0.2 -1,-0.3 -0.466 70.0 -96.7 -78.1 153.7 0.1 -20.2 18.0 9 10 A P B -A 269 0A 81 0, 0.0 260,-0.2 0, 0.0 -1,-0.1 -0.477 48.1-100.6 -66.5 141.3 2.6 -19.5 20.8 10 11 A A - 0 0 18 258,-2.4 2,-0.2 256,-0.3 265,-0.0 -0.326 38.1-144.7 -60.0 144.9 6.1 -20.6 20.1 11 12 A Q > - 0 0 99 -3,-0.1 3,-1.6 1,-0.1 4,-0.3 -0.713 28.4-102.4-107.3 162.9 7.2 -23.9 21.7 12 13 A Q G > S+ 0 0 46 1,-0.3 3,-1.7 -2,-0.2 -1,-0.1 0.872 122.6 59.7 -51.1 -40.9 10.6 -24.9 23.1 13 14 A S G 3 S+ 0 0 96 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.745 98.2 59.4 -63.1 -23.5 11.1 -27.0 19.9 14 15 A D G < S+ 0 0 46 -3,-1.6 -1,-0.3 252,-0.1 2,-0.2 0.536 90.9 100.2 -76.8 -6.4 10.7 -23.8 17.8 15 16 A L < - 0 0 28 -3,-1.7 2,-0.1 -4,-0.3 250,-0.1 -0.545 65.2-130.0 -97.9 149.6 13.7 -22.1 19.5 16 17 A I - 0 0 39 -2,-0.2 2,-0.9 248,-0.2 3,-0.1 -0.435 24.9-116.5 -81.5 160.9 17.4 -21.5 18.6 17 18 A N > - 0 0 32 1,-0.2 4,-2.4 -2,-0.1 5,-0.2 -0.895 31.6-163.1 -95.7 103.2 20.4 -22.3 20.9 18 19 A V H > S+ 0 0 4 -2,-0.9 4,-2.4 1,-0.2 5,-0.2 0.907 82.4 47.1 -61.4 -49.4 21.6 -18.7 21.2 19 20 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.863 112.4 50.5 -63.6 -37.0 25.2 -19.5 22.5 20 21 A Q H > S+ 0 0 53 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.938 111.2 48.6 -64.4 -46.0 25.7 -22.1 19.8 21 22 A L H X S+ 0 0 10 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.910 112.4 48.8 -57.6 -44.8 24.6 -19.7 17.1 22 23 A T H X S+ 0 0 0 -4,-2.4 4,-0.8 1,-0.2 3,-0.3 0.885 109.7 51.7 -65.8 -40.0 27.0 -17.0 18.5 23 24 A A H >X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 3,-0.9 0.881 102.9 59.4 -60.6 -39.3 29.9 -19.4 18.7 24 25 A Q H 3X S+ 0 0 38 -4,-2.1 4,-2.4 1,-0.3 -1,-0.2 0.822 94.0 66.1 -60.8 -30.9 29.2 -20.4 15.0 25 26 A Y H 3< S+ 0 0 0 -4,-1.1 32,-3.0 -3,-0.3 -1,-0.3 0.875 114.5 29.7 -54.0 -41.1 29.8 -16.7 14.1 26 27 A Y H << S+ 0 0 28 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.771 125.9 42.1 -89.5 -34.4 33.5 -17.2 15.3 27 28 A V H < S+ 0 0 21 -4,-2.5 708,-0.4 707,-0.1 709,-0.3 0.671 103.2 67.2 -95.6 -19.6 34.1 -20.8 14.5 28 29 A L < - 0 0 16 -4,-2.4 29,-0.3 -5,-0.2 24,-0.1 -0.761 65.2-161.7-100.5 151.5 32.4 -21.2 11.1 29 30 A K - 0 0 51 -2,-0.3 2,-0.2 27,-0.1 -3,-0.0 -0.918 27.9-100.3-128.1 151.0 33.7 -19.6 7.9 30 31 A P - 0 0 28 0, 0.0 2,-0.4 0, 0.0 23,-0.1 -0.536 48.2-113.4 -63.9 140.3 32.3 -18.7 4.5 31 32 A E > - 0 0 49 -2,-0.2 3,-2.1 22,-0.1 6,-0.2 -0.668 31.9-104.0 -84.6 129.2 33.5 -21.3 2.0 32 33 A A T 3 S+ 0 0 113 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 -0.302 103.3 8.7 -53.2 116.9 35.9 -20.1 -0.8 33 34 A G T 3 S+ 0 0 90 1,-0.2 2,-0.8 -2,-0.1 -1,-0.3 0.356 90.0 126.9 95.4 -3.4 34.0 -19.8 -4.0 34 35 A N X - 0 0 70 -3,-2.1 3,-1.8 1,-0.2 4,-0.2 -0.796 45.5-159.7 -92.2 110.3 30.5 -20.4 -2.8 35 36 A A G > S+ 0 0 74 -2,-0.8 3,-1.4 1,-0.3 -1,-0.2 0.792 89.8 64.5 -59.0 -30.7 28.3 -17.5 -3.9 36 37 A E G 3 S+ 0 0 58 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.742 104.1 46.8 -64.9 -24.2 25.7 -18.3 -1.2 37 38 A H G < S+ 0 0 24 -3,-1.8 -1,-0.3 -6,-0.2 -2,-0.2 0.330 92.9 108.9 -97.8 2.5 28.4 -17.4 1.4 38 39 A A S < S- 0 0 28 -3,-1.4 2,-0.4 -4,-0.2 139,-0.1 -0.342 83.4 -91.4 -77.9 160.8 29.4 -14.2 -0.2 39 40 A V - 0 0 3 134,-0.2 2,-0.5 -2,-0.1 -1,-0.1 -0.603 39.2-172.9 -67.4 124.8 28.7 -10.7 1.0 40 41 A K + 0 0 111 -2,-0.4 2,-0.9 7,-0.1 7,-0.5 -0.852 10.6 175.9-120.5 91.3 25.4 -9.6 -0.6 41 42 A F + 0 0 2 -2,-0.5 132,-0.3 128,-0.2 5,-0.2 -0.822 19.6 130.6-110.5 95.7 25.2 -6.0 0.5 42 43 A G B > -B 45 0B 27 3,-2.0 3,-2.4 -2,-0.9 122,-0.1 -0.094 67.4 -27.9-117.7-141.8 22.2 -4.2 -1.0 43 44 A T T 3 S+ 0 0 72 1,-0.3 121,-0.1 -2,-0.1 3,-0.1 0.816 141.0 27.1 -49.3 -45.9 19.2 -2.0 -0.1 44 45 A S T 3 S- 0 0 46 1,-0.4 -1,-0.3 119,-0.1 110,-0.2 -0.006 116.9-114.3-110.8 31.4 19.0 -3.3 3.5 45 46 A G B < -B 42 0B 8 -3,-2.4 -3,-2.0 119,-0.1 2,-0.5 -0.416 59.2 -30.0 77.8-150.1 22.7 -4.2 3.8 46 47 A H E -C 154 0C 2 108,-2.5 108,-1.6 -5,-0.2 2,-0.3 -0.913 60.4-179.6-110.6 131.3 23.9 -7.8 4.2 47 48 A R E +C 153 0C 81 -7,-0.5 2,-0.3 -2,-0.5 106,-0.2 -0.937 20.5 111.2-127.7 152.4 21.8 -10.4 5.9 48 49 A G E -C 152 0C 4 104,-2.0 104,-3.1 -2,-0.3 2,-0.3 -0.951 52.8 -90.3 178.2-159.9 22.4 -14.1 6.7 49 50 A S > > - 0 0 4 -2,-0.3 5,-2.2 102,-0.2 3,-1.5 -0.997 17.2-133.2-144.0 139.3 23.0 -16.6 9.5 50 51 A A G > 5S+ 0 0 0 100,-0.4 3,-1.2 -2,-0.3 -1,-0.1 0.804 108.5 57.2 -55.2 -38.1 26.2 -17.9 11.1 51 52 A G G 3 5S+ 0 0 33 99,-0.3 -1,-0.3 1,-0.2 5,-0.0 0.600 108.1 47.7 -73.4 -12.7 24.9 -21.5 10.9 52 53 A R G < 5S- 0 0 119 -3,-1.5 -1,-0.2 3,-0.1 -2,-0.2 0.167 115.2-114.5-109.0 15.0 24.6 -21.1 7.1 53 54 A H T < 5S+ 0 0 45 -3,-1.2 -3,-0.2 2,-0.1 3,-0.2 0.732 93.2 103.8 61.7 25.6 28.1 -19.5 6.7 54 55 A S S > S- 0 0 0 -3,-0.2 4,-1.7 -7,-0.1 3,-0.8 -0.810 73.7 -81.5-139.4 169.6 30.1 -14.8 10.4 57 58 A E H 3> S+ 0 0 54 -32,-3.0 4,-2.9 -29,-0.3 5,-0.3 0.856 123.4 54.7 -48.7 -46.1 33.2 -12.9 11.7 58 59 A P H 3> S+ 0 0 25 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.886 107.4 50.3 -57.9 -41.6 34.9 -12.7 8.2 59 60 A H H <> S+ 0 0 0 -3,-0.8 4,-2.9 2,-0.2 -2,-0.2 0.926 114.1 43.9 -58.0 -47.7 31.8 -11.1 6.6 60 61 A I H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.921 112.8 50.6 -72.6 -40.9 31.5 -8.4 9.3 61 62 A L H X S+ 0 0 10 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.940 114.8 46.1 -56.1 -45.8 35.3 -7.7 9.3 62 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.931 114.2 45.8 -64.2 -49.3 35.2 -7.3 5.5 63 64 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.916 112.6 50.4 -60.4 -46.2 32.1 -5.1 5.4 64 65 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.889 111.8 47.6 -61.4 -40.5 33.3 -2.8 8.3 65 66 A Q H X S+ 0 0 5 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 0.926 112.3 49.9 -65.5 -43.7 36.7 -2.3 6.6 66 67 A A H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.900 112.5 47.8 -60.3 -40.9 34.9 -1.6 3.2 67 68 A I H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.941 110.5 50.7 -66.6 -46.3 32.6 0.9 5.0 68 69 A A H X S+ 0 0 5 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.925 114.1 45.8 -55.6 -46.4 35.6 2.6 6.8 69 70 A E H X S+ 0 0 62 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.931 113.5 47.8 -62.4 -47.5 37.4 3.0 3.4 70 71 A E H X S+ 0 0 32 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.909 111.7 49.3 -64.0 -41.8 34.3 4.2 1.5 71 72 A R H <>S+ 0 0 9 -4,-2.8 5,-2.7 1,-0.2 -1,-0.2 0.906 112.9 47.7 -67.4 -37.6 33.4 6.8 4.1 72 73 A A H ><5S+ 0 0 65 -4,-1.9 3,-2.0 -5,-0.3 -2,-0.2 0.908 108.3 54.5 -65.7 -44.5 37.0 8.1 4.2 73 74 A K H 3<5S+ 0 0 79 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.817 107.9 51.3 -58.6 -32.7 37.1 8.3 0.4 74 75 A N T 3<5S- 0 0 92 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.211 120.5-110.0 -89.4 11.6 34.0 10.5 0.5 75 76 A G T < 5 + 0 0 48 -3,-2.0 2,-0.7 1,-0.2 61,-0.3 0.720 63.6 153.5 68.7 25.4 35.6 12.8 3.0 76 77 A I < + 0 0 7 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.783 4.3 157.9 -87.1 113.1 33.4 11.8 6.0 77 78 A T + 0 0 102 -2,-0.7 30,-0.2 -3,-0.1 -1,-0.1 0.409 39.8 89.0-123.5 0.4 35.6 12.5 9.1 78 79 A G S S- 0 0 6 58,-1.9 29,-0.3 1,-0.2 58,-0.2 -0.037 87.9 -56.5 -83.2-164.9 33.1 12.9 11.9 79 80 A P - 0 0 14 0, 0.0 59,-1.7 0, 0.0 2,-0.6 -0.278 39.8-132.7 -78.0 160.7 31.8 10.1 14.2 80 81 A C E -de 108 138D 0 27,-2.7 29,-2.3 57,-0.2 2,-0.6 -0.968 16.7-143.1-109.6 115.4 30.0 6.8 13.1 81 82 A Y E -de 109 139D 26 57,-2.9 59,-2.4 -2,-0.6 2,-0.7 -0.715 17.8-164.5 -76.3 116.9 26.9 6.1 15.1 82 83 A V E +de 110 140D 2 27,-2.5 29,-0.5 -2,-0.6 2,-0.3 -0.905 11.7 176.5-112.8 110.0 26.7 2.3 15.6 83 84 A G E - e 0 141D 1 57,-2.4 59,-3.0 -2,-0.7 2,-0.3 -0.813 8.5-163.8-111.9 150.4 23.4 1.0 16.7 84 85 A K E - e 0 142D 3 -2,-0.3 33,-2.3 31,-0.3 59,-0.2 -0.958 9.1-141.2-134.3 152.1 22.2 -2.6 17.2 85 86 A D - 0 0 1 57,-2.4 220,-0.1 -2,-0.3 152,-0.1 -0.292 39.8 -91.6 -96.5-168.6 18.9 -4.5 17.6 86 87 A T S S+ 0 0 1 218,-0.2 2,-0.1 150,-0.1 57,-0.1 0.299 80.1 119.7 -94.8 5.1 18.1 -7.4 19.9 87 88 A H S > S- 0 0 0 1,-0.1 3,-0.8 177,-0.1 4,-0.5 -0.475 71.6-120.1 -66.9 148.3 18.9 -10.3 17.6 88 89 A A T > S+ 0 0 0 61,-0.5 3,-1.8 175,-0.5 -1,-0.1 0.915 110.2 52.8 -53.4 -49.9 21.6 -12.6 18.9 89 90 A L T 3> S+ 0 0 0 62,-0.4 4,-1.8 60,-0.4 -1,-0.2 0.668 91.7 75.0 -71.6 -13.0 24.0 -12.1 16.0 90 91 A S H <> S+ 0 0 0 -3,-0.8 4,-2.3 61,-0.2 -1,-0.3 0.836 90.5 60.4 -61.7 -29.4 23.9 -8.4 16.4 91 92 A E H <> S+ 0 0 0 -3,-1.8 4,-1.7 -4,-0.5 -2,-0.2 0.961 108.8 36.7 -68.1 -54.3 26.1 -8.8 19.5 92 93 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.884 117.8 53.8 -66.0 -34.3 29.2 -10.3 17.9 93 94 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.921 105.3 54.1 -61.9 -42.1 28.7 -8.2 14.7 94 95 A F H X S+ 0 0 14 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.934 109.6 47.2 -56.7 -48.3 28.7 -5.0 16.9 95 96 A I H X S+ 0 0 9 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.906 110.5 51.5 -61.8 -44.6 32.0 -6.0 18.4 96 97 A S H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.907 110.1 50.2 -58.1 -41.8 33.6 -6.7 15.1 97 98 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.923 110.8 48.3 -64.6 -43.4 32.4 -3.3 13.8 98 99 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.917 111.0 51.7 -61.5 -44.1 33.9 -1.5 16.8 99 100 A E H X S+ 0 0 17 -4,-2.6 4,-1.3 2,-0.2 91,-0.9 0.878 115.6 39.9 -58.4 -44.5 37.3 -3.4 16.4 100 101 A V H X S+ 0 0 0 -4,-2.1 4,-1.8 89,-0.2 -2,-0.2 0.942 116.3 47.3 -76.8 -48.1 37.6 -2.5 12.7 101 102 A L H <>S+ 0 0 0 -4,-2.7 5,-3.0 -5,-0.2 -2,-0.2 0.930 113.1 48.4 -60.7 -45.4 36.4 1.1 12.8 102 103 A A H ><5S+ 0 0 5 -4,-2.3 3,-1.5 -5,-0.3 -1,-0.2 0.912 110.9 52.5 -62.5 -36.5 38.6 2.0 15.9 103 104 A A H 3<5S+ 0 0 30 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.825 107.1 52.6 -64.9 -32.8 41.5 0.3 14.1 104 105 A N T 3<5S- 0 0 51 -4,-1.8 -1,-0.3 84,-0.2 -2,-0.2 0.332 123.4-107.3 -83.9 5.0 40.8 2.5 11.0 105 106 A G T < 5 + 0 0 43 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.661 68.6 150.1 79.7 19.9 40.9 5.6 13.3 106 107 A V < - 0 0 12 -5,-3.0 2,-0.5 -6,-0.2 -1,-0.3 -0.674 47.0-129.4 -89.8 133.2 37.1 6.2 13.2 107 108 A D - 0 0 76 -2,-0.3 -27,-2.7 -29,-0.3 2,-0.4 -0.733 29.0-159.9 -78.0 128.3 35.3 7.8 16.1 108 109 A V E -df 80 201D 1 92,-3.7 94,-2.7 -2,-0.5 2,-0.5 -0.904 10.4-159.1-113.3 137.4 32.4 5.6 17.1 109 110 A I E +df 81 202D 21 -29,-2.3 -27,-2.5 -2,-0.4 2,-0.3 -0.987 20.3 175.3-116.1 127.7 29.4 6.6 19.1 110 111 A V E -df 82 203D 10 92,-2.6 94,-3.1 -2,-0.5 2,-0.4 -0.858 38.3 -93.5-127.3 160.1 27.4 3.8 20.8 111 112 A Q E > - f 0 204D 18 -29,-0.5 4,-0.5 -2,-0.3 3,-0.5 -0.616 52.6-111.2 -71.2 129.9 24.4 3.5 23.2 112 113 A E T >4 S+ 0 0 76 92,-2.3 3,-1.3 -2,-0.4 -1,-0.1 -0.117 95.0 25.5 -58.8 155.9 25.7 3.3 26.8 113 114 A N T 34 S- 0 0 151 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.834 129.4 -70.7 58.2 37.0 25.4 0.0 28.8 114 115 A N T 34 S+ 0 0 39 -3,-0.5 -1,-0.3 1,-0.1 -2,-0.2 0.817 88.3 169.5 51.0 36.9 25.3 -2.1 25.6 115 116 A G << - 0 0 19 -3,-1.3 2,-0.3 -4,-0.5 -31,-0.3 -0.070 32.9-106.8 -75.4 176.9 21.9 -0.8 24.9 116 117 A F - 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O 0 393F 8 4,-2.6 4,-1.3 -2,-0.3 3,-0.8 -0.979 30.3-125.3-124.4 143.8 5.8 2.0 1.4 390 391 A E T 34 S+ 0 0 41 -2,-0.4 -69,-0.2 1,-0.3 4,-0.1 0.643 103.0 79.7 -62.4 -15.7 2.9 -0.5 1.5 391 392 A S T 34 S- 0 0 44 2,-0.1 -1,-0.3 -71,-0.1 -110,-0.1 0.017 122.5 -94.8 -80.1 28.9 5.2 -2.7 3.6 392 393 A A T <4 S+ 0 0 0 -3,-0.8 -83,-1.9 1,-0.2 2,-0.4 0.825 87.1 123.3 65.6 38.3 4.3 -0.6 6.7 393 394 A G E < +LO 308 389F 0 -4,-1.3 -4,-2.6 -85,-0.2 2,-0.3 -0.994 26.4 143.8-130.3 133.1 7.3 1.8 6.6 394 395 A A E - O 0 388F 0 -87,-0.5 15,-2.6 -2,-0.4 2,-0.3 -0.985 22.1-167.4-155.3 164.3 7.1 5.6 6.4 395 396 A S E - O 0 387F 0 -8,-2.0 -8,-2.4 -2,-0.3 2,-0.3 -0.972 7.2-172.8-149.6 160.9 8.7 8.9 7.5 396 397 A F E - O 0 386F 0 -2,-0.3 8,-0.5 -10,-0.2 9,-0.4 -0.940 29.2 -86.7-148.6 167.5 7.7 12.5 7.5 397 398 A L - 0 0 0 -12,-1.8 -59,-0.1 -2,-0.3 -12,-0.1 -0.281 42.0 -99.8 -74.4 159.7 9.2 16.0 8.2 398 399 A R > - 0 0 38 4,-3.0 3,-1.9 1,-0.1 -181,-0.3 -0.175 50.4 -91.0 -60.6 168.6 9.4 17.9 11.5 399 400 A F T 3 S+ 0 0 53 -183,-2.4 -62,-0.3 1,-0.3 -182,-0.1 0.899 128.5 53.2 -52.7 -43.5 6.8 20.6 12.0 400 401 A D T 3 S- 0 0 96 -184,-0.4 -1,-0.3 1,-0.1 -183,-0.1 0.428 121.2-104.3 -78.8 -0.2 9.1 23.2 10.5 401 402 A G S < S+ 0 0 16 -3,-1.9 -2,-0.1 1,-0.4 -1,-0.1 0.630 82.8 117.9 89.5 16.8 9.7 21.2 7.3 402 403 A T S S- 0 0 65 1,-0.1 -4,-3.0 -17,-0.0 -1,-0.4 -0.771 71.9 -85.8-108.1 159.3 13.2 19.9 8.0 403 404 A P + 0 0 22 0, 0.0 -6,-0.1 0, 0.0 3,-0.1 -0.316 32.7 179.4 -75.2 149.3 13.9 16.1 8.3 404 405 A W S S- 0 0 1 -8,-0.5 2,-0.3 1,-0.4 -277,-0.2 0.730 81.9 -3.9-101.9 -50.5 13.6 14.0 11.5 405 406 A S - 0 0 1 -9,-0.4 -1,-0.4 -278,-0.1 4,-0.1 -0.972 51.1-163.3-146.9 130.4 14.7 10.7 10.1 406 407 A T S S+ 0 0 0 -2,-0.3 2,-0.2 -245,-0.2 -244,-0.1 0.467 81.8 68.4 -95.8 -4.0 15.5 10.0 6.4 407 408 A D S S- 0 0 4 -246,-0.2 -2,-0.1 -245,-0.2 -245,-0.1 -0.645 110.5 -76.9 -94.8 167.9 15.1 6.3 7.1 408 409 A K - 0 0 34 -2,-0.2 2,-0.4 -13,-0.1 -13,-0.2 -0.385 47.9-156.0 -62.3 145.3 11.7 4.8 7.9 409 410 A D > - 0 0 0 -15,-2.6 4,-1.1 1,-0.1 -102,-0.3 -0.953 17.9-176.1-135.1 109.7 10.6 5.5 11.5 410 411 A G H > S+ 0 0 0 -104,-2.3 4,-1.7 -2,-0.4 -103,-0.2 0.769 82.6 58.6 -78.4 -25.3 8.1 3.3 13.3 411 412 A I H > S+ 0 0 0 -105,-0.6 4,-2.6 2,-0.2 5,-0.2 0.946 106.3 44.7 -73.0 -49.0 8.0 5.4 16.4 412 413 A I H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.850 112.2 54.3 -62.5 -33.3 6.8 8.7 14.8 413 414 A M H X S+ 0 0 0 -4,-1.1 4,-1.3 2,-0.2 -1,-0.2 0.870 110.7 45.6 -70.4 -35.2 4.3 6.7 12.7 414 415 A C H X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 3,-0.3 0.939 113.9 47.8 -68.4 -47.3 2.8 5.2 15.9 415 416 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.847 105.5 60.2 -64.8 -34.0 2.7 8.5 17.7 416 417 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.899 99.5 56.4 -57.5 -42.5 1.1 10.1 14.6 417 418 A A H X S+ 0 0 0 -4,-1.3 4,-1.9 -3,-0.3 -1,-0.2 0.892 109.1 46.7 -56.2 -40.5 -1.8 7.7 15.0 418 419 A A H X S+ 0 0 0 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.921 110.8 51.9 -68.4 -43.4 -2.3 9.0 18.6 419 420 A E H X S+ 0 0 3 -4,-2.6 4,-3.6 2,-0.2 5,-0.4 0.939 109.2 49.8 -52.0 -52.4 -2.0 12.7 17.4 420 421 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 6,-0.6 0.939 113.8 45.8 -54.6 -47.2 -4.7 12.1 14.7 421 422 A T H X S+ 0 0 17 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.912 117.2 44.2 -63.5 -43.3 -7.0 10.5 17.4 422 423 A A H < S+ 0 0 25 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.908 119.7 40.1 -69.3 -44.9 -6.3 13.3 19.9 423 424 A V H < S+ 0 0 58 -4,-3.6 -2,-0.2 -5,-0.2 -3,-0.2 0.907 127.8 28.8 -73.5 -43.7 -6.6 16.2 17.5 424 425 A T H < S- 0 0 42 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.2 0.605 95.1-127.4 -96.2 -14.2 -9.6 15.1 15.3 425 426 A G S < S+ 0 0 64 -4,-1.4 2,-0.4 -5,-0.4 -4,-0.2 0.509 82.1 94.6 73.4 4.3 -11.5 12.9 17.9 426 427 A K S S- 0 0 77 -6,-0.6 -2,-0.2 3,-0.0 -1,-0.2 -0.995 74.5-126.2-127.6 133.4 -11.5 10.0 15.4 427 428 A N > - 0 0 18 -2,-0.4 4,-2.0 1,-0.1 3,-0.3 -0.198 34.9-100.0 -71.3 167.2 -9.0 7.2 15.3 428 429 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.849 122.3 55.8 -60.3 -34.6 -7.1 6.4 12.0 429 430 A Q H > S+ 0 0 57 2,-0.2 4,-1.4 1,-0.2 -110,-0.0 0.889 107.6 49.5 -64.1 -38.9 -9.4 3.5 11.1 430 431 A E H > S+ 0 0 87 -3,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.906 108.2 53.9 -66.1 -39.8 -12.4 5.8 11.4 431 432 A H H X S+ 0 0 21 -4,-2.0 4,-1.9 1,-0.2 3,-0.3 0.897 102.5 58.1 -58.4 -40.3 -10.7 8.3 9.1 432 433 A Y H X S+ 0 0 15 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.877 99.9 57.3 -60.8 -38.4 -10.2 5.6 6.5 433 434 A N H X S+ 0 0 82 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.895 105.8 50.2 -58.2 -40.0 -13.9 5.0 6.3 434 435 A E H X S+ 0 0 79 -4,-1.2 4,-1.7 -3,-0.3 -1,-0.2 0.886 110.6 50.4 -63.9 -39.9 -14.4 8.7 5.4 435 436 A L H X S+ 0 0 3 -4,-1.9 4,-2.8 1,-0.2 5,-0.4 0.941 107.5 51.9 -63.4 -47.1 -11.7 8.3 2.7 436 437 A A H X S+ 0 0 18 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.862 108.9 52.9 -58.1 -34.0 -13.4 5.2 1.3 437 438 A A H < S+ 0 0 87 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.861 114.1 41.0 -68.6 -37.2 -16.6 7.3 1.1 438 439 A R H < S+ 0 0 124 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.844 133.6 19.3 -77.5 -34.4 -15.0 10.1 -0.8 439 440 A F H < S- 0 0 33 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.517 111.2 -94.9-118.2 -8.7 -12.9 7.9 -3.1 440 441 A G < - 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