==== 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 23-MAR-01 1IAT . COMPND 2 MOLECULE: PHOSPHOGLUCOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.READ,J.PEARCE,X.LI,H.MUIRHEAD,J.CHIRGWIN,C.DAVIES . 556 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25422.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 74.5 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 . 24 4.3 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 . 36 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 39.7 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 4 0 1 4 1 2 1 0 0 5 1 0 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 . 5 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 24 0, 0.0 4,-1.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 141.2 84.7 60.0 9.1 2 2 A A H > + 0 0 29 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.853 360.0 54.7 -55.2 -45.1 86.4 57.5 6.9 3 3 A L H >4 S+ 0 0 0 501,-0.3 3,-1.3 1,-0.2 6,-0.2 0.950 108.5 46.3 -61.2 -45.5 84.6 58.4 3.7 4 4 A T H 34 S+ 0 0 31 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.2 0.750 112.0 52.9 -71.2 -19.8 85.3 62.1 3.7 5 5 A R H 3< S+ 0 0 202 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.533 85.1 107.7 -86.5 -7.5 89.0 61.3 4.5 6 6 A D S+ 0 0 85 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.808 99.1 53.7 -64.9 -29.8 91.4 60.3 -1.4 8 8 A Q H > S+ 0 0 53 2,-0.2 4,-2.2 1,-0.2 62,-0.2 0.871 109.3 48.9 -70.0 -37.0 89.3 58.6 -4.0 9 9 A F H > S+ 0 0 3 -3,-0.2 4,-2.5 -6,-0.2 5,-0.2 0.935 111.1 50.3 -64.9 -44.8 86.2 60.2 -2.5 10 10 A Q H X S+ 0 0 107 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.885 109.9 50.4 -58.6 -39.3 87.9 63.6 -2.5 11 11 A K H X S+ 0 0 95 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.909 110.6 49.6 -64.3 -43.0 88.9 63.1 -6.2 12 12 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.924 111.1 48.9 -62.3 -44.3 85.3 62.2 -7.1 13 13 A Q H X S+ 0 0 82 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.887 110.7 50.2 -63.8 -38.7 83.9 65.3 -5.3 14 14 A Q H X S+ 0 0 72 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.916 111.0 49.1 -69.5 -38.5 86.4 67.6 -6.9 15 15 A W H X S+ 0 0 40 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.933 110.1 51.5 -65.1 -43.8 85.6 66.3 -10.4 16 16 A Y H X S+ 0 0 33 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.933 110.7 48.3 -55.8 -48.1 81.9 66.7 -9.7 17 17 A R H < S+ 0 0 180 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.909 116.9 43.5 -61.0 -40.6 82.4 70.3 -8.6 18 18 A E H < S+ 0 0 101 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.839 127.8 24.1 -73.5 -36.1 84.5 70.9 -11.8 19 19 A H H >< S+ 0 0 51 -4,-3.0 3,-1.4 -5,-0.2 4,-0.3 0.370 84.5 105.9-119.3 5.7 82.3 69.2 -14.4 20 20 A R G >< S+ 0 0 125 -4,-1.9 3,-2.3 1,-0.3 -3,-0.1 0.911 80.0 54.6 -52.4 -51.6 78.7 69.0 -13.0 21 21 A S G 3 S+ 0 0 107 1,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.657 102.9 60.7 -60.5 -17.4 77.3 71.7 -15.4 22 22 A E G < S+ 0 0 120 -3,-1.4 2,-0.8 1,-0.0 -1,-0.3 0.480 79.1 100.9 -86.7 -8.0 78.7 69.7 -18.3 23 23 A L < + 0 0 12 -3,-2.3 2,-0.4 -4,-0.3 35,-0.1 -0.730 40.2 154.5 -88.9 109.6 76.6 66.6 -17.6 24 24 A N > - 0 0 27 -2,-0.8 4,-2.3 1,-0.1 5,-0.2 -0.980 36.1-148.4-137.3 123.5 73.6 66.4 -19.9 25 25 A L H > S+ 0 0 0 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.885 97.0 52.6 -60.1 -45.5 72.0 63.1 -20.7 26 26 A R H > S+ 0 0 102 410,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.947 113.7 44.1 -55.2 -48.1 70.8 64.1 -24.2 27 27 A R H > S+ 0 0 160 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.845 108.1 57.6 -68.3 -33.8 74.3 65.2 -25.2 28 28 A L H X S+ 0 0 31 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.896 109.4 47.1 -63.8 -36.5 75.9 62.2 -23.6 29 29 A F H >< S+ 0 0 54 -4,-2.1 3,-0.7 1,-0.2 6,-0.2 0.915 110.3 49.2 -74.4 -40.9 73.9 60.0 -25.9 30 30 A D H 3< S+ 0 0 113 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.785 111.8 50.8 -73.1 -15.4 74.5 61.9 -29.1 31 31 A A H 3< S+ 0 0 78 -4,-1.6 2,-0.4 1,-0.2 -1,-0.2 0.586 113.1 44.7 -89.0 -14.5 78.2 61.9 -28.4 32 32 A N X< - 0 0 46 -3,-0.7 3,-1.8 -4,-0.7 -1,-0.2 -0.863 57.5-174.4-135.7 100.8 78.5 58.2 -27.8 33 33 A K T 3 S+ 0 0 175 -2,-0.4 3,-0.4 1,-0.3 4,-0.2 0.801 91.8 51.5 -65.4 -26.8 76.7 55.8 -30.2 34 34 A D T 3> S+ 0 0 67 1,-0.2 4,-2.7 2,-0.1 -1,-0.3 0.097 75.4 118.3 -94.4 22.7 77.8 52.9 -28.0 35 35 A R H <> S+ 0 0 5 -3,-1.8 4,-1.3 -6,-0.2 -1,-0.2 0.914 76.5 44.4 -59.5 -46.6 76.4 54.5 -24.9 36 36 A F H >4 S+ 0 0 84 -3,-0.4 3,-0.5 -4,-0.2 -1,-0.2 0.948 115.0 50.1 -61.4 -45.9 73.8 51.9 -24.1 37 37 A N H >4 S+ 0 0 98 -4,-0.2 3,-0.6 1,-0.2 -2,-0.2 0.884 114.5 44.0 -59.3 -38.1 76.3 49.1 -24.8 38 38 A H H 3< S+ 0 0 96 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.645 117.0 43.4 -85.5 -13.2 78.9 50.7 -22.6 39 39 A F T << S+ 0 0 1 -4,-1.3 15,-1.6 -3,-0.5 2,-0.3 -0.257 101.2 74.3-128.3 45.1 76.7 51.5 -19.6 40 40 A S E < -A 53 0A 21 -3,-0.6 2,-0.4 13,-0.2 13,-0.2 -0.981 56.3-155.2-147.9 158.2 74.5 48.4 -19.3 41 41 A L E -A 52 0A 18 11,-2.0 11,-3.2 -2,-0.3 2,-0.5 -0.990 5.2-152.5-132.6 141.1 75.0 44.9 -17.9 42 42 A T E -A 51 0A 91 -2,-0.4 2,-0.5 9,-0.2 9,-0.2 -0.977 7.9-160.3-116.0 129.5 73.1 41.7 -18.8 43 43 A L E -A 50 0A 7 7,-3.0 7,-2.4 -2,-0.5 2,-0.7 -0.892 1.8-160.3-103.9 125.1 72.9 38.9 -16.2 44 44 A N E +A 49 0A 79 -2,-0.5 5,-0.2 5,-0.2 -2,-0.0 -0.909 13.7 175.1-108.4 104.8 72.1 35.5 -17.5 45 45 A T - 0 0 1 3,-2.3 4,-0.1 -2,-0.7 -1,-0.1 0.467 47.6-118.1 -86.9 -3.7 70.8 33.4 -14.6 46 46 A N S S+ 0 0 125 2,-0.2 3,-0.1 1,-0.0 -2,-0.0 0.249 112.0 63.5 77.9 -9.0 69.9 30.4 -16.7 47 47 A H S S- 0 0 125 1,-0.6 438,-0.2 251,-0.0 2,-0.2 -0.124 123.9 -30.4-131.6 37.1 66.3 31.0 -15.6 48 48 A G - 0 0 13 431,-0.1 -3,-2.3 436,-0.1 -1,-0.6 -0.407 67.2-101.9 126.4 150.7 65.9 34.4 -17.2 49 49 A H E -A 44 0A 85 -5,-0.2 430,-1.9 -2,-0.2 2,-0.5 -0.775 21.0-154.1-102.0 151.0 68.0 37.4 -18.1 50 50 A I E -AB 43 478A 0 -7,-2.4 -7,-3.0 -2,-0.3 2,-0.7 -0.985 4.3-160.0-123.1 118.2 68.2 40.7 -16.2 51 51 A L E -AB 42 477A 44 426,-3.3 426,-2.3 -2,-0.5 2,-0.8 -0.890 2.9-167.1 -95.3 118.5 69.2 43.8 -18.2 52 52 A V E -AB 41 476A 2 -11,-3.2 -11,-2.0 -2,-0.7 2,-0.8 -0.894 8.7-172.5-104.0 98.3 70.5 46.5 -15.8 53 53 A D E +AB 40 475A 17 422,-3.0 422,-2.5 -2,-0.8 -13,-0.2 -0.842 19.4 160.7 -97.4 105.8 70.5 49.5 -18.1 54 54 A Y + 0 0 16 -15,-1.6 3,-0.4 -2,-0.8 -14,-0.2 0.093 41.6 109.3-109.7 24.2 72.3 52.4 -16.2 55 55 A S + 0 0 2 1,-0.2 2,-0.8 -16,-0.2 4,-0.2 0.739 62.9 69.7 -76.2 -22.9 73.0 54.4 -19.3 56 56 A K S S+ 0 0 30 417,-0.4 417,-1.9 -3,-0.2 2,-0.3 -0.205 82.6 109.2 -86.7 43.5 70.4 57.2 -18.6 57 57 A N S S- 0 0 2 -2,-0.8 2,-2.3 -3,-0.4 414,-0.0 -0.876 84.1-108.4-119.4 153.2 72.6 58.3 -15.7 58 58 A L S S+ 0 0 5 -2,-0.3 2,-0.3 -35,-0.1 -2,-0.1 -0.445 81.4 110.1 -80.1 64.4 74.7 61.5 -15.3 59 59 A V - 0 0 0 -2,-2.3 2,-0.2 -4,-0.2 -2,-0.1 -0.955 47.4-162.7-138.1 154.7 78.0 59.6 -15.6 60 60 A T > - 0 0 32 -2,-0.3 4,-2.3 -37,-0.0 5,-0.2 -0.702 47.0 -91.9-121.5 177.5 80.9 59.2 -18.1 61 61 A E H > S+ 0 0 90 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.915 128.2 53.8 -58.2 -41.2 83.5 56.4 -18.3 62 62 A D H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.897 107.8 50.3 -60.2 -42.7 85.8 58.5 -16.0 63 63 A V H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.930 111.0 48.3 -62.6 -42.4 83.0 58.8 -13.4 64 64 A M H X S+ 0 0 13 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.895 110.6 51.1 -67.2 -36.4 82.5 55.1 -13.4 65 65 A R H X S+ 0 0 118 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.939 110.8 48.6 -62.9 -45.6 86.2 54.4 -13.1 66 66 A M H X S+ 0 0 5 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.867 110.9 50.9 -62.3 -39.5 86.4 56.8 -10.1 67 67 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.916 110.5 48.0 -66.5 -40.7 83.4 55.2 -8.4 68 68 A V H X S+ 0 0 12 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.923 110.3 52.4 -64.5 -41.1 84.9 51.7 -8.8 69 69 A D H X S+ 0 0 50 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.861 107.4 53.5 -62.4 -33.1 88.2 53.0 -7.5 70 70 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.931 106.1 51.8 -65.8 -46.1 86.3 54.4 -4.5 71 71 A A H <>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 6,-0.2 0.912 112.9 46.1 -56.1 -42.2 84.7 51.0 -3.8 72 72 A K H ><5S+ 0 0 110 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.935 111.5 50.5 -66.7 -43.6 88.2 49.5 -3.9 73 73 A S H 3<5S+ 0 0 55 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.834 108.8 51.9 -64.2 -32.5 89.6 52.2 -1.6 74 74 A R T 3<5S- 0 0 35 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.419 114.9-117.3 -86.9 2.6 86.8 51.7 0.9 75 75 A G T <>5 + 0 0 30 -3,-1.6 4,-2.3 -4,-0.2 5,-0.2 0.825 55.1 158.8 72.3 33.2 87.6 47.9 1.0 76 76 A V H > S+ 0 0 71 -6,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 111.0 45.6 -64.3 -45.4 85.6 43.3 -1.5 78 78 A A H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 113.5 50.6 -66.1 -36.9 87.3 42.4 1.8 79 79 A A H X S+ 0 0 19 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.914 108.2 53.5 -63.1 -43.1 84.2 43.5 3.8 80 80 A R H X S+ 0 0 17 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.919 107.9 49.7 -56.3 -45.3 82.0 41.3 1.5 81 81 A E H X S+ 0 0 53 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.906 106.6 55.5 -66.0 -35.7 84.2 38.3 2.2 82 82 A R H <>S+ 0 0 100 -4,-2.1 5,-2.3 1,-0.2 4,-0.3 0.903 108.8 49.0 -62.1 -39.1 83.9 38.9 6.0 83 83 A M H ><5S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 14,-0.3 0.973 113.9 43.6 -61.1 -56.2 80.1 38.9 5.6 84 84 A F H 3<5S+ 0 0 13 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.766 110.2 57.8 -62.1 -26.4 80.0 35.6 3.6 85 85 A N T 3<5S- 0 0 81 -4,-2.2 26,-0.4 -5,-0.2 -1,-0.3 0.435 115.5-110.4 -87.4 2.6 82.6 34.0 5.9 86 86 A G T < 5 + 0 0 7 -3,-1.6 27,-0.4 -4,-0.3 -3,-0.2 0.693 61.1 156.7 80.1 17.3 80.5 34.5 9.0 87 87 A E < - 0 0 83 -5,-2.3 2,-2.5 -6,-0.2 10,-0.5 -0.386 57.7-102.0 -74.3 155.1 82.7 37.1 10.7 88 88 A K + 0 0 89 1,-0.2 8,-0.3 8,-0.2 6,-0.2 -0.386 59.2 154.6 -82.4 68.7 81.0 39.3 13.2 89 89 A I + 0 0 15 -2,-2.5 2,-1.8 1,-0.2 -1,-0.2 0.624 57.2 81.5 -72.8 -15.3 80.6 42.4 10.9 90 90 A N B >> +F 95 0B 6 5,-2.3 5,-2.3 -3,-0.2 4,-1.1 -0.692 67.7 173.3 -84.7 84.2 77.5 43.5 12.9 91 91 A Y T 45 + 0 0 76 -2,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.725 63.1 57.8 -76.0 -24.9 80.1 44.9 15.3 92 92 A T T 45S+ 0 0 63 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.828 118.8 31.2 -76.8 -27.7 77.8 46.8 17.6 93 93 A E T 45S- 0 0 49 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.511 106.6-122.3-101.4 -6.0 75.8 43.7 18.5 94 94 A G T <5 + 0 0 42 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.918 66.4 134.4 64.2 45.0 78.7 41.2 18.1 95 95 A R B < -F 90 0B 65 -5,-2.3 -5,-2.3 -7,-0.2 -1,-0.2 -0.923 56.9-122.1-126.7 151.9 76.9 39.2 15.5 96 96 A A - 0 0 3 -2,-0.3 2,-0.4 -8,-0.3 -8,-0.2 -0.298 23.6-134.3 -75.3 174.1 77.5 37.6 12.2 97 97 A V + 0 0 5 -10,-0.5 -11,-0.2 -14,-0.3 3,-0.2 -0.897 39.5 154.5-137.7 96.9 75.4 38.7 9.2 98 98 A L >> + 0 0 0 170,-2.5 4,-1.0 -2,-0.4 3,-0.9 -0.126 22.6 128.9-132.5 40.3 74.3 35.6 7.3 99 99 A H H 3> S+ 0 0 3 1,-0.2 4,-0.7 169,-0.2 3,-0.4 0.845 81.3 65.2 -57.7 -26.8 71.1 35.9 5.4 100 100 A V H 34 S+ 0 0 2 1,-0.2 3,-0.5 -3,-0.2 -1,-0.2 0.826 94.7 57.0 -66.8 -26.4 73.4 34.5 2.6 101 101 A A H X4 S+ 0 0 0 -3,-0.9 3,-1.7 1,-0.2 -1,-0.2 0.854 94.8 65.8 -69.9 -31.9 73.7 31.2 4.6 102 102 A L H 3< S+ 0 0 4 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.822 113.9 30.6 -59.5 -30.6 69.9 30.8 4.6 103 103 A R T 3< S+ 0 0 1 -4,-0.7 2,-2.1 -3,-0.5 -1,-0.3 0.055 79.5 133.4-116.9 23.1 69.9 30.3 0.8 104 104 A N X + 0 0 10 -3,-1.7 3,-1.8 1,-0.2 193,-0.1 -0.505 23.8 171.2 -76.6 80.0 73.3 28.7 0.4 105 105 A R T 3 S+ 0 0 77 -2,-2.1 -1,-0.2 1,-0.3 192,-0.1 0.722 71.6 66.2 -64.5 -22.3 72.1 25.9 -1.8 106 106 A S T 3 S- 0 0 69 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.658 95.5-144.7 -74.1 -15.5 75.7 24.9 -2.5 107 107 A N < + 0 0 76 -3,-1.8 -2,-0.1 1,-0.2 3,-0.1 0.638 36.2 162.4 59.7 21.2 76.0 23.9 1.2 108 108 A T - 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0 0 64 -3,-0.2 2,-0.1 1,-0.1 17,-0.1 -0.270 66.0-114.8 -65.5 139.3 44.2 62.2 36.1 533 533 A Q - 0 0 152 1,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.420 29.6-133.6 -67.2 142.3 46.0 64.9 34.3 534 534 A V + 0 0 14 8,-0.3 12,-0.2 -2,-0.1 11,-0.1 -0.844 34.7 162.4-103.9 135.8 49.6 64.1 33.4 535 535 A T + 0 0 114 -2,-0.4 -1,-0.1 1,-0.0 7,-0.1 0.259 47.5 101.3-132.0 8.7 52.3 66.6 34.0 536 536 A S S S+ 0 0 75 5,-0.1 2,-0.2 6,-0.1 3,-0.1 0.501 78.0 45.5 -80.6 -10.3 55.4 64.3 33.9 537 537 A H S S- 0 0 57 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.452 103.1 -55.4-116.3-168.2 56.6 65.2 30.4 538 538 A D > - 0 0 89 -2,-0.2 4,-2.6 1,-0.1 -1,-0.3 -0.234 63.2 -98.9 -62.8 162.5 57.2 68.2 28.2 539 539 A A H > S+ 0 0 85 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.798 121.0 51.7 -61.4 -31.2 54.2 70.5 27.7 540 540 A S H > S+ 0 0 75 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.964 110.6 45.1 -70.8 -52.4 53.3 69.0 24.3 541 541 A T H > S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.923 116.9 47.9 -56.3 -43.3 53.3 65.4 25.4 542 542 A N H X S+ 0 0 23 -4,-2.6 4,-2.6 2,-0.2 -8,-0.3 0.935 111.9 49.2 -61.2 -47.3 51.3 66.4 28.5 543 543 A G H X S+ 0 0 39 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.895 111.4 48.9 -60.9 -40.5 48.8 68.4 26.4 544 544 A L H X S+ 0 0 106 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.934 111.6 48.8 -66.1 -44.9 48.3 65.6 24.0 545 545 A I H X S+ 0 0 7 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.931 111.5 50.2 -60.7 -44.1 47.7 63.1 26.8 546 546 A N H X S+ 0 0 31 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.881 109.9 49.7 -66.0 -34.9 45.3 65.4 28.5 547 547 A F H X S+ 0 0 123 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.915 109.9 52.0 -64.7 -43.6 43.3 65.9 25.3 548 548 A I H X S+ 0 0 91 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.937 110.9 47.4 -57.0 -46.7 43.2 62.2 24.8 549 549 A K H < S+ 0 0 26 -4,-2.7 4,-0.4 1,-0.2 3,-0.3 0.905 112.1 49.9 -64.6 -38.5 41.8 61.7 28.3 550 550 A Q H >< S+ 0 0 117 -4,-2.3 3,-0.5 1,-0.2 4,-0.3 0.887 115.5 42.8 -63.2 -37.7 39.2 64.5 27.8 551 551 A Q H >< S+ 0 0 82 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.596 88.8 84.8 -88.7 -11.3 38.0 63.0 24.5 552 552 A R T 3< S+ 0 0 206 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.1 0.793 98.2 44.6 -58.4 -29.0 37.9 59.4 25.5 553 553 A E T < S+ 0 0 149 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.599 84.8 116.0 -87.2 -29.8 34.5 60.2 26.9 554 554 A A < - 0 0 43 -3,-0.6 2,-0.7 -4,-0.3 -3,-0.0 -0.112 57.4-142.2 -54.1 142.1 33.0 62.2 24.0 555 555 A R 0 0 243 1,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.869 360.0 360.0-113.6 103.3 30.0 60.7 22.3 556 556 A V 0 0 185 -2,-0.7 -1,-0.0 0, 0.0 0, 0.0 0.137 360.0 360.0-124.7 360.0 30.2 61.4 18.5