==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 20-MAY-02 1GZD . COMPND 2 MOLECULE: GLUCOSE-6-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR C.DAVIES,H.MUIRHEAD . 554 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 422 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 37 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 40.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.5 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 3 0 2 2 1 0 2 0 1 4 1 1 0 0 1 0 2 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 2 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 PARALLEL BRIDGES PER LADDER . 4 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 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 1 A A >> 0 0 38 0, 0.0 4,-1.6 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 -20.4 62.3 8.5 43.0 2 2 A A G >4 + 0 0 31 1,-0.2 3,-1.0 2,-0.2 4,-0.5 0.529 360.0 34.7 3.8 -82.5 58.8 8.0 41.4 3 3 A L G >4 S+ 0 0 0 501,-0.3 3,-2.2 1,-0.3 -1,-0.2 0.968 123.4 43.9 -55.3 -56.6 59.4 10.0 38.2 4 4 A T G <4 S+ 0 0 23 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.582 110.1 58.2 -69.8 -4.8 63.0 9.2 37.8 5 5 A Q G << S+ 0 0 115 -4,-1.6 -1,-0.3 -3,-1.0 -2,-0.2 0.432 81.3 113.8 -99.9 -3.5 62.3 5.5 38.6 6 6 A N <> - 0 0 11 -3,-2.2 4,-3.7 -4,-0.5 5,-0.3 -0.571 63.3-143.8 -77.7 127.9 59.9 5.2 35.8 7 7 A P H > S+ 0 0 84 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.876 104.5 45.2 -59.1 -40.0 60.8 2.9 33.0 8 8 A Q H > S+ 0 0 57 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.918 113.1 51.9 -74.9 -31.0 59.3 5.1 30.3 9 9 A F H > S+ 0 0 6 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.967 110.9 47.4 -61.7 -46.6 60.9 8.1 32.0 10 10 A K H X S+ 0 0 91 -4,-3.7 4,-1.8 1,-0.2 -1,-0.2 0.831 107.9 56.2 -66.6 -27.0 64.3 6.3 31.9 11 11 A K H X S+ 0 0 120 -4,-1.7 4,-2.3 -5,-0.3 -1,-0.2 0.894 105.9 51.4 -71.2 -39.9 63.8 5.3 28.3 12 12 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 -3,-0.3 5,-0.2 0.874 104.6 56.9 -60.1 -42.6 63.3 9.0 27.4 13 13 A Q H X S+ 0 0 69 -4,-1.8 4,-3.1 1,-0.2 5,-0.2 0.956 109.1 45.6 -57.9 -49.2 66.5 10.0 29.1 14 14 A T H X S+ 0 0 73 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.938 114.1 47.2 -62.6 -43.5 68.5 7.6 27.0 15 15 A W H X S+ 0 0 41 -4,-2.3 4,-2.7 2,-0.2 3,-0.5 0.963 114.8 47.7 -62.1 -46.6 66.9 8.6 23.8 16 16 A Y H X S+ 0 0 13 -4,-2.9 4,-2.0 1,-0.3 3,-0.4 0.970 110.4 49.7 -54.0 -55.8 67.3 12.3 24.6 17 17 A H H < S+ 0 0 148 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.756 119.3 43.3 -56.6 -21.3 70.9 11.8 25.6 18 18 A E H < S+ 0 0 139 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.722 121.9 29.2 -98.7 -27.4 71.3 10.0 22.3 19 19 A H H >X S+ 0 0 47 -4,-2.7 3,-1.7 -3,-0.4 4,-0.6 0.461 74.2 116.4-117.5 -0.5 69.4 12.1 19.7 20 20 A R G >< S+ 0 0 125 -4,-2.0 3,-2.2 -5,-0.3 -1,-0.1 0.815 81.0 52.9 -35.0 -49.2 69.6 15.6 21.0 21 21 A S G 34 S+ 0 0 105 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.865 99.6 63.0 -59.3 -37.4 71.6 16.6 17.9 22 22 A D G <4 S+ 0 0 76 -3,-1.7 2,-1.3 1,-0.2 -1,-0.3 0.615 82.4 91.2 -60.2 -12.5 68.9 15.1 15.7 23 23 A L << + 0 0 7 -3,-2.2 2,-0.6 -4,-0.6 -1,-0.2 -0.430 48.2 138.3 -87.6 60.7 66.4 17.8 17.2 24 24 A N > - 0 0 57 -2,-1.3 4,-3.0 1,-0.1 5,-0.2 -0.923 41.4-155.3-109.2 119.2 66.8 20.6 14.7 25 25 A L H > S+ 0 0 0 -2,-0.6 4,-2.0 1,-0.2 -1,-0.1 0.847 91.9 55.1 -57.7 -42.6 63.5 22.4 13.7 26 26 A R H > S+ 0 0 76 410,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.939 115.5 39.2 -59.4 -44.2 64.7 23.6 10.4 27 27 A R H >> S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 3,-0.9 0.877 108.8 60.2 -77.3 -38.1 65.7 20.2 9.3 28 28 A L H 3X S+ 0 0 21 -4,-3.0 4,-1.7 1,-0.3 -1,-0.2 0.846 103.7 53.8 -59.1 -33.9 62.7 18.5 10.9 29 29 A F H 3< S+ 0 0 61 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.709 107.2 50.3 -74.1 -21.4 60.6 20.7 8.6 30 30 A E H << S+ 0 0 135 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.1 0.958 110.7 49.9 -74.0 -56.0 62.4 19.4 5.5 31 31 A G H < S+ 0 0 55 -4,-2.4 2,-0.7 1,-0.2 -2,-0.2 0.917 113.7 41.7 -42.4 -67.9 62.0 15.8 6.5 32 32 A D >< - 0 0 32 -4,-1.7 3,-1.3 1,-0.1 4,-0.2 -0.797 65.3-168.0 -94.0 110.7 58.2 15.8 7.2 33 33 A K T 3 S+ 0 0 162 -2,-0.7 3,-0.2 1,-0.3 -1,-0.1 0.685 92.2 36.8 -70.7 -19.1 56.3 17.8 4.6 34 34 A D T 3> S+ 0 0 66 1,-0.1 4,-1.2 2,-0.1 -1,-0.3 -0.219 71.9 132.2-127.2 46.6 53.2 17.8 6.6 35 35 A R H X> S+ 0 0 8 -3,-1.3 4,-1.8 1,-0.2 3,-0.9 0.932 74.4 59.4 -57.1 -45.1 54.8 18.1 10.0 36 36 A F H >4 S+ 0 0 87 1,-0.3 3,-0.6 -4,-0.2 -1,-0.2 0.923 103.1 49.1 -48.5 -54.1 52.2 20.7 10.6 37 37 A N H 34 S+ 0 0 111 1,-0.2 3,-0.5 2,-0.1 -1,-0.3 0.769 113.9 45.8 -60.9 -25.4 49.4 18.3 10.0 38 38 A H H << S+ 0 0 73 -4,-1.2 -1,-0.2 -3,-0.9 -2,-0.2 0.628 115.3 45.6 -93.6 -17.4 50.8 15.7 12.4 39 39 A F S << S+ 0 0 4 -4,-1.8 15,-1.3 -3,-0.6 16,-0.6 -0.385 99.0 80.4-122.7 54.2 51.6 18.1 15.2 40 40 A S E -A 53 0A 24 -3,-0.5 2,-0.4 13,-0.2 13,-0.2 -0.979 57.3-148.8-152.4 157.0 48.4 20.2 15.4 41 41 A L E -A 52 0A 22 11,-2.0 11,-3.1 -2,-0.3 2,-0.6 -0.989 2.6-160.9-137.9 119.8 45.0 19.9 16.9 42 42 A N E -A 51 0A 91 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.917 13.9-175.4-104.4 113.1 41.8 21.4 15.6 43 43 A L E -A 50 0A 12 7,-2.1 7,-2.1 -2,-0.6 2,-0.5 -0.894 8.2-163.4-108.7 137.9 39.0 21.6 18.3 44 44 A N E +A 49 0A 73 -2,-0.4 5,-0.2 5,-0.2 -2,-0.0 -0.961 13.1 178.9-128.1 113.2 35.6 22.8 17.4 45 45 A T - 0 0 2 3,-2.2 4,-0.1 -2,-0.5 -1,-0.1 0.498 49.6-117.5 -87.9 -8.7 33.5 23.8 20.2 46 46 A N S S+ 0 0 130 2,-0.5 3,-0.1 -3,-0.1 -2,-0.0 0.481 111.6 71.3 78.6 3.3 30.6 24.7 17.9 47 47 A H S S- 0 0 107 1,-0.8 438,-0.2 251,-0.0 2,-0.1 -0.203 122.7 -48.1-134.6 37.8 31.1 28.2 19.2 48 48 A G - 0 0 19 431,-0.1 -3,-2.2 436,-0.1 -1,-0.8 -0.353 67.7 -88.5 114.9 169.9 34.3 28.7 17.4 49 49 A R E -A 44 0A 104 -5,-0.2 430,-1.7 -4,-0.1 2,-0.5 -0.806 16.2-154.2-121.6 156.8 37.6 26.8 17.0 50 50 A I E -AB 43 478A 0 -7,-2.1 -7,-2.1 -2,-0.3 2,-0.6 -0.977 9.6-159.4-132.0 118.1 40.9 26.5 18.7 51 51 A L E -AB 42 477A 51 426,-3.3 426,-1.9 -2,-0.5 2,-0.8 -0.853 2.1-166.0 -96.4 121.6 44.0 25.4 16.8 52 52 A L E -AB 41 476A 1 -11,-3.1 -11,-2.0 -2,-0.6 2,-0.9 -0.886 8.7-173.6-107.4 100.4 46.7 24.0 18.9 53 53 A D E +AB 40 475A 21 422,-2.9 422,-2.2 -2,-0.8 -13,-0.2 -0.843 17.6 161.5 -96.8 104.4 49.7 24.0 16.6 54 54 A Y > + 0 0 16 -15,-1.3 3,-0.6 -2,-0.9 -14,-0.2 0.097 40.3 110.0-104.8 23.0 52.6 22.2 18.4 55 55 A S T 3 + 0 0 2 -16,-0.6 2,-0.3 1,-0.2 4,-0.2 0.762 63.9 68.5 -68.4 -26.4 54.7 21.6 15.3 56 56 A K T 3 S+ 0 0 37 417,-0.4 417,-1.5 -3,-0.2 2,-0.3 -0.107 80.2 110.2 -87.5 40.4 57.5 24.0 16.1 57 57 A N S < S- 0 0 2 -3,-0.6 2,-3.5 -2,-0.3 414,-0.1 -0.880 83.9-107.6-113.1 150.0 58.7 22.0 19.0 58 58 A L S S+ 0 0 4 -2,-0.3 2,-0.3 412,-0.1 -2,-0.1 -0.335 83.3 114.3 -66.9 69.9 61.9 20.0 19.4 59 59 A V - 0 0 0 -2,-3.5 2,-0.3 -4,-0.2 -2,-0.1 -0.956 48.7-160.9-144.7 154.3 60.0 16.8 19.1 60 60 A T > - 0 0 35 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.850 40.3-103.1-122.3 174.8 59.4 13.8 16.9 61 61 A E H > S+ 0 0 109 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.939 124.6 53.7 -60.5 -43.1 56.6 11.2 16.6 62 62 A A H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.967 109.8 47.3 -58.3 -46.3 58.7 8.8 18.4 63 63 A V H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.921 110.9 50.6 -61.2 -42.6 59.1 11.4 21.2 64 64 A M H X S+ 0 0 18 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.864 110.2 50.4 -61.7 -38.2 55.4 12.2 21.4 65 65 A Q H X S+ 0 0 100 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.946 111.6 46.9 -68.3 -47.5 54.6 8.5 21.6 66 66 A M H X S+ 0 0 16 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.848 111.8 52.5 -61.2 -34.0 57.1 7.9 24.4 67 67 A L H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.839 109.5 48.6 -68.3 -35.2 55.7 11.1 26.2 68 68 A V H X S+ 0 0 7 -4,-1.9 4,-2.0 2,-0.2 5,-0.3 0.925 107.6 54.9 -72.4 -37.6 52.2 9.6 25.9 69 69 A D H X S+ 0 0 66 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.871 105.6 53.7 -61.6 -38.7 53.4 6.3 27.3 70 70 A L H X S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.919 107.4 50.9 -59.7 -42.6 54.8 8.2 30.3 71 71 A A H <>S+ 0 0 0 -4,-1.6 5,-2.3 1,-0.2 6,-0.3 0.897 113.4 44.3 -64.3 -41.9 51.4 9.8 31.0 72 72 A K H ><5S+ 0 0 123 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.915 112.9 51.4 -64.6 -46.0 49.5 6.5 30.9 73 73 A S H 3<5S+ 0 0 55 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.726 106.7 53.4 -70.1 -24.0 52.0 4.8 33.0 74 74 A R T 3<5S- 0 0 51 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.265 119.7-105.9 -95.9 10.2 51.9 7.4 35.6 75 75 A G T <>5 + 0 0 23 -3,-1.7 4,-2.6 -5,-0.1 5,-0.3 0.743 66.7 148.0 79.4 29.7 48.1 7.1 36.0 76 76 A V H > S+ 0 0 82 -6,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.939 115.8 38.4 -53.5 -49.0 43.7 8.6 33.0 78 78 A A H > S+ 0 0 52 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.899 111.8 56.2 -70.8 -41.6 42.7 7.4 36.5 79 79 A A H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.944 106.2 55.8 -55.6 -43.1 43.9 10.5 38.4 80 80 A R H X S+ 0 0 15 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.906 106.0 46.6 -54.7 -51.2 41.6 12.3 36.1 81 81 A E H X S+ 0 0 69 -4,-1.4 4,-3.0 1,-0.2 -1,-0.2 0.860 107.4 58.7 -60.6 -38.8 38.5 10.2 36.9 82 82 A R H X>S+ 0 0 88 -4,-2.4 5,-2.4 2,-0.2 4,-0.6 0.910 106.1 50.0 -58.6 -40.5 39.2 10.6 40.7 83 83 A M H ><5S+ 0 0 1 -4,-2.0 3,-1.1 -5,-0.2 -2,-0.2 0.971 114.2 42.1 -60.3 -59.1 39.1 14.4 40.2 84 84 A F H 3<5S+ 0 0 14 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.863 111.0 57.1 -60.0 -35.0 35.7 14.3 38.3 85 85 A N H 3<5S- 0 0 82 -4,-3.0 26,-0.4 -5,-0.2 -1,-0.2 0.606 116.5-108.4 -79.2 -4.4 34.2 11.7 40.7 86 86 A G T <<5 + 0 0 8 -3,-1.1 27,-0.2 -4,-0.6 -3,-0.2 0.690 61.3 157.2 93.3 16.8 34.8 13.8 43.8 87 87 A E < - 0 0 98 -5,-2.4 2,-1.9 -6,-0.2 10,-0.7 -0.302 54.7-101.8 -73.3 162.8 37.6 11.9 45.4 88 88 A K + 0 0 75 1,-0.2 8,-0.2 8,-0.2 7,-0.1 -0.449 56.5 153.3 -88.9 70.1 39.9 13.5 47.8 89 89 A I + 0 0 19 -2,-1.9 2,-1.6 -7,-0.2 -1,-0.2 0.605 54.0 86.2 -75.7 -9.9 42.9 14.0 45.6 90 90 A N B >> +F 95 0B 6 5,-2.3 5,-2.3 -3,-0.2 4,-1.3 -0.756 65.5 178.3 -88.0 88.1 44.1 16.9 47.6 91 91 A F T 45 + 0 0 67 -2,-1.6 -1,-0.2 3,-0.2 -2,-0.1 0.722 65.0 51.2 -75.3 -24.3 45.9 14.4 49.8 92 92 A T T 45S+ 0 0 64 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.764 123.3 30.5 -84.3 -28.7 47.6 16.8 52.3 93 93 A E T 45S- 0 0 46 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.592 105.7-129.0-100.1 -12.4 44.5 18.7 53.2 94 94 A D T <5 + 0 0 106 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.983 59.2 140.0 64.4 54.2 42.3 15.7 52.5 95 95 A R B < -F 90 0B 74 -5,-2.3 -5,-2.3 -7,-0.1 2,-0.2 -0.879 55.9-115.9-127.9 159.4 40.0 17.6 50.2 96 96 A A - 0 0 4 -2,-0.3 2,-0.6 -8,-0.2 -8,-0.2 -0.599 24.2-140.0 -85.7 155.8 38.1 17.0 47.0 97 97 A V + 0 0 6 -10,-0.7 3,-0.2 -2,-0.2 -11,-0.2 -0.858 37.9 154.3-123.7 93.4 39.2 19.2 44.0 98 98 A L >> + 0 0 0 170,-1.8 3,-1.4 -2,-0.6 4,-0.9 -0.194 20.6 131.6-122.0 41.2 36.1 20.2 42.2 99 99 A H H >> S+ 0 0 2 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.862 79.7 67.6 -56.7 -25.5 36.4 23.4 40.3 100 100 A V H >4 S+ 0 0 4 1,-0.2 3,-0.5 -3,-0.2 -1,-0.2 0.795 90.6 58.5 -66.3 -26.8 34.8 21.2 37.6 101 101 A A H X4 S+ 0 0 0 -3,-1.4 3,-1.5 1,-0.2 -1,-0.2 0.823 93.8 67.9 -65.8 -30.3 31.5 21.0 39.5 102 102 A L H << S+ 0 0 5 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.796 112.4 29.3 -59.3 -29.9 31.2 24.8 39.4 103 103 A R T << S+ 0 0 0 -4,-0.6 2,-2.2 -3,-0.5 -1,-0.3 -0.130 81.0 133.3-121.6 21.6 30.6 24.9 35.6 104 104 A N X + 0 0 11 -3,-1.5 3,-1.8 1,-0.2 193,-0.1 -0.534 27.4 173.3 -76.6 77.6 29.0 21.4 35.4 105 105 A R T 3 S+ 0 0 77 -2,-2.2 -1,-0.2 1,-0.3 192,-0.1 0.790 70.3 60.8 -64.2 -27.0 26.2 22.7 33.2 106 106 A S T 3 S- 0 0 74 -3,-0.2 -1,-0.3 1,-0.0 -2,-0.1 0.555 99.6-136.0 -75.1 -12.5 24.8 19.2 32.7 107 107 A N < + 0 0 74 -3,-1.8 -2,-0.1 1,-0.2 -6,-0.0 0.869 35.0 174.6 59.6 36.2 24.2 18.8 36.4 108 108 A T - 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0 0 3 -5,-2.3 2,-0.7 -142,-0.2 -1,-0.2 -0.462 68.4 -95.9-110.8-173.4 53.0 16.1 43.7 507 507 A N - 0 0 7 -144,-0.4 3,-0.5 -2,-0.2 -144,-0.1 -0.913 30.2-178.2-107.0 113.7 50.0 17.9 45.1 508 508 A S S S+ 0 0 4 -2,-0.7 -1,-0.1 1,-0.2 -418,-0.1 0.451 76.1 59.3 -82.8 -2.0 48.8 20.7 42.8 509 509 A F S S+ 0 0 19 -420,-0.2 2,-0.2 -414,-0.0 -1,-0.2 0.378 90.0 62.3-120.2 7.5 46.1 21.7 45.1 510 510 A D - 0 0 6 -3,-0.5 3,-0.0 -152,-0.3 2,-0.0 -0.648 54.8-157.3-114.8 177.8 47.6 22.7 48.5 511 511 A Q > + 0 0 59 -2,-0.2 3,-0.7 1,-0.0 4,-0.2 -0.493 26.5 156.0-157.2 78.3 49.9 25.6 49.3 512 512 A W G > + 0 0 125 1,-0.2 3,-1.5 2,-0.1 4,-0.4 0.792 66.5 77.8 -76.1 -24.6 51.8 24.9 52.5 513 513 A G G 3 S+ 0 0 80 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.543 82.5 63.7 -60.2 -13.8 54.6 27.2 51.3 514 514 A V G <> S+ 0 0 59 -3,-0.7 4,-1.2 1,-0.1 -1,-0.2 0.698 87.6 76.3 -83.3 -23.4 52.6 30.4 52.2 515 515 A E H <> S+ 0 0 89 -3,-1.5 4,-2.4 -4,-0.2 3,-0.3 0.879 82.2 55.3 -64.6 -53.0 52.5 29.7 55.8 516 516 A L H > S+ 0 0 104 -4,-0.4 4,-2.9 1,-0.2 5,-0.2 0.916 107.7 51.2 -52.5 -49.7 56.0 30.5 57.2 517 517 A G H > S+ 0 0 49 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.891 111.0 48.6 -53.6 -43.6 56.0 34.1 55.9 518 518 A K H X S+ 0 0 129 -4,-1.2 4,-1.4 -3,-0.3 -1,-0.2 0.871 110.3 51.7 -67.7 -38.6 52.6 34.6 57.5 519 519 A Q H X S+ 0 0 86 -4,-2.4 4,-1.2 1,-0.2 3,-0.3 0.960 113.6 43.7 -60.8 -46.8 53.8 33.2 60.8 520 520 A L H X S+ 0 0 83 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.838 108.3 57.2 -72.6 -29.3 56.8 35.5 60.8 521 521 A A H X S+ 0 0 45 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.859 100.6 60.7 -68.9 -30.1 54.9 38.6 59.8 522 522 A K H < S+ 0 0 106 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.891 106.9 43.5 -66.9 -37.5 52.7 38.1 62.8 523 523 A K H X S+ 0 0 128 -4,-1.2 4,-0.7 1,-0.2 -1,-0.2 0.845 111.0 53.7 -79.0 -23.2 55.6 38.4 65.1 524 524 A I H X S+ 0 0 48 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.816 92.7 76.0 -78.3 -26.1 57.1 41.4 63.4 525 525 A E H >< S+ 0 0 81 -4,-1.7 3,-0.9 1,-0.2 4,-0.2 0.912 98.3 38.0 -52.1 -56.6 54.0 43.5 63.5 526 526 A P H >4 S+ 0 0 79 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.818 108.7 65.8 -69.8 -27.4 53.9 44.5 67.1 527 527 A E H 3< S+ 0 0 50 -4,-0.7 3,-0.3 1,-0.3 -2,-0.2 0.813 91.1 63.7 -65.3 -23.0 57.7 45.0 67.1 528 528 A L T << S+ 0 0 57 -4,-1.2 -1,-0.3 -3,-0.9 -3,-0.1 0.567 84.2 87.9 -76.8 -5.3 57.4 47.9 64.7 529 529 A D S < S+ 0 0 132 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.1 0.937 78.2 43.2 -67.5 -54.7 55.5 49.9 67.1 530 530 A G S S- 0 0 40 -4,-0.3 0, 0.0 -3,-0.3 0, 0.0 -0.089 80.6-113.3 -84.2-171.6 57.8 51.9 69.4 531 531 A S S S+ 0 0 96 2,-0.1 -1,-0.1 19,-0.0 -2,-0.0 0.357 84.2 112.9 -95.4 4.0 61.0 53.9 68.6 532 532 A S S S- 0 0 77 1,-0.1 -2,-0.1 -5,-0.1 17,-0.1 -0.571 72.8-111.1 -77.5 136.6 62.9 51.3 70.6 533 533 A P - 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.314 24.0-128.3 -72.6 153.4 65.3 49.0 68.6 534 534 A V + 0 0 16 8,-0.3 12,-0.1 1,-0.1 11,-0.1 -0.768 31.6 164.3-105.7 145.9 64.8 45.4 68.0 535 535 A T + 0 0 122 -2,-0.3 -1,-0.1 8,-0.0 7,-0.1 0.219 50.5 100.5-136.3 1.2 67.3 42.7 68.7 536 536 A S S S+ 0 0 75 5,-0.1 2,-0.2 6,-0.1 3,-0.1 0.232 79.9 48.8 -81.9 15.5 65.2 39.5 68.6 537 537 A H S S- 0 0 58 1,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.729 100.3 -57.3-135.6-173.6 66.2 38.4 65.1 538 538 A D > - 0 0 95 -2,-0.2 4,-2.3 1,-0.1 5,-0.3 -0.252 61.8-100.6 -61.0 159.8 69.1 37.9 62.8 539 539 A S H > S+ 0 0 113 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.791 120.3 53.7 -59.8 -25.8 71.4 41.0 62.3 540 540 A S H > S+ 0 0 71 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.974 109.7 41.8 -73.2 -57.6 69.7 41.7 59.0 541 541 A T H > S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.886 118.1 49.5 -59.3 -40.0 66.1 41.8 60.0 542 542 A N H X S+ 0 0 18 -4,-2.3 4,-2.2 2,-0.2 -8,-0.3 0.942 109.9 50.7 -61.8 -44.2 67.1 43.7 63.1 543 543 A G H X S+ 0 0 42 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.869 112.6 46.5 -64.6 -37.7 69.1 46.2 61.0 544 544 A L H X S+ 0 0 104 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.908 110.6 51.0 -67.4 -45.3 66.3 46.8 58.7 545 545 A I H X S+ 0 0 6 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.884 112.6 48.9 -63.7 -34.3 63.7 47.2 61.4 546 546 A N H X S+ 0 0 50 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.864 107.8 50.6 -78.3 -35.3 66.0 49.7 63.0 547 547 A F H X S+ 0 0 122 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.880 109.5 55.6 -65.6 -32.5 66.6 51.7 59.9 548 548 A I H X S+ 0 0 83 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.967 106.4 47.3 -65.1 -51.1 62.9 51.8 59.5 549 549 A K H X S+ 0 0 10 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.911 113.8 49.1 -58.2 -38.9 62.2 53.3 62.9 550 550 A Q H X S+ 0 0 106 -4,-1.8 4,-0.7 1,-0.2 3,-0.3 0.923 115.8 42.5 -65.4 -42.1 64.9 55.9 62.4 551 551 A E H < S+ 0 0 90 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.824 100.4 67.7 -77.4 -30.2 63.6 56.9 58.9 552 552 A R H < S+ 0 0 109 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.836 106.4 43.5 -61.3 -30.1 59.9 57.0 59.7 553 553 A E H < 0 0 117 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.740 360.0 360.0 -82.5 -24.4 60.5 60.0 61.9 554 554 A A < 0 0 105 -4,-0.7 -1,-0.1 -3,-0.4 -3,-0.1 -0.041 360.0 360.0 -56.2 360.0 62.9 61.7 59.4