==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 30-AUG-10 3ONO . COMPND 2 MOLECULE: RIBOSE/GALACTOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PARAHAEMOLYTICUS; . AUTHOR Y.KIM,L.VOLKART,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR S . 212 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10113.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 9.0 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 . 1 0.5 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 . 10 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 42.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.8 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 0 0 2 1 0 3 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 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 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 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 N 0 0 132 0, 0.0 2,-0.2 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 9.3 16.1 19.5 16.2 2 0 A A - 0 0 71 30,-0.1 2,-0.3 31,-0.1 31,-0.1 -0.447 360.0-172.8 -76.3 138.5 18.7 16.8 16.7 3 1 A X - 0 0 17 -2,-0.2 31,-2.4 133,-0.1 2,-0.6 -0.800 30.9-116.8-121.9 163.6 17.8 13.6 18.6 4 2 A K E -a 34 0A 49 -2,-0.3 63,-2.4 29,-0.2 64,-1.5 -0.931 39.9-164.4 -94.1 125.5 19.5 10.5 20.0 5 3 A I E -ab 35 68A 0 29,-2.7 31,-2.9 -2,-0.6 2,-0.5 -0.959 9.7-156.3-118.4 126.8 17.8 7.6 18.1 6 4 A A E -ab 36 69A 0 62,-2.8 64,-3.0 -2,-0.5 2,-0.5 -0.896 3.4-157.9-102.6 126.0 17.9 3.9 19.1 7 5 A L E +ab 37 70A 0 29,-3.4 31,-2.2 -2,-0.5 32,-1.2 -0.854 16.9 178.7 -94.7 132.8 17.4 1.2 16.5 8 6 A X + 0 0 0 62,-2.5 64,-0.5 -2,-0.5 2,-0.3 -0.940 3.7 175.5-143.1 119.3 16.3 -2.1 18.0 9 7 A X - 0 0 0 -2,-0.4 31,-2.6 31,-0.2 2,-0.1 -0.864 16.4-138.9-124.1 153.8 15.5 -5.3 16.1 10 8 A E > - 0 0 6 62,-0.4 3,-0.8 -2,-0.3 4,-0.4 -0.400 35.9 -83.3-109.9-176.6 14.6 -8.8 17.2 11 9 A N G > S+ 0 0 53 37,-2.4 3,-1.0 1,-0.2 4,-0.3 0.832 116.6 57.7 -64.1 -37.5 15.4 -12.4 16.2 12 10 A S G 3 S+ 0 0 61 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.852 121.5 28.0 -65.3 -29.7 13.0 -12.9 13.3 13 11 A Q G X S+ 0 0 19 -3,-0.8 3,-1.8 1,-0.1 -1,-0.3 0.229 85.8 113.3-112.0 13.7 14.4 -9.9 11.4 14 12 A A G X + 0 0 0 -3,-1.0 3,-1.7 -4,-0.4 4,-0.4 0.781 67.8 65.3 -62.4 -30.6 17.9 -9.8 12.7 15 13 A A G 3 S+ 0 0 70 -4,-0.3 3,-0.4 1,-0.3 4,-0.3 0.777 101.8 52.7 -60.1 -26.7 19.5 -10.7 9.3 16 14 A K G <> S+ 0 0 58 -3,-1.8 4,-2.4 1,-0.2 -1,-0.3 0.445 80.4 94.1 -90.3 -2.1 18.2 -7.4 8.1 17 15 A N H <> S+ 0 0 3 -3,-1.7 4,-3.3 -4,-0.2 5,-0.4 0.896 80.7 55.3 -59.9 -41.7 19.7 -5.3 10.8 18 16 A A H > S+ 0 0 75 -4,-0.4 4,-2.3 23,-0.4 -1,-0.2 0.928 111.0 45.9 -56.9 -45.9 22.9 -4.4 8.9 19 17 A X H > S+ 0 0 51 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.947 116.1 44.4 -59.7 -49.9 20.7 -3.1 6.0 20 18 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.942 114.1 48.2 -67.6 -43.4 18.4 -1.1 8.3 21 19 A A H X S+ 0 0 10 -4,-3.3 4,-3.1 1,-0.2 5,-0.3 0.898 109.5 56.1 -59.9 -40.4 21.3 0.3 10.4 22 20 A G H X S+ 0 0 40 -4,-2.3 4,-2.3 -5,-0.4 -2,-0.2 0.946 111.5 41.2 -54.3 -51.0 23.0 1.2 7.2 23 21 A E H X S+ 0 0 22 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.898 116.0 50.0 -66.9 -40.4 20.1 3.3 6.0 24 22 A L H X>S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 5,-1.1 0.936 112.8 45.6 -66.0 -45.9 19.5 4.8 9.5 25 23 A N H X>S+ 0 0 83 -4,-3.1 4,-0.8 3,-0.2 5,-0.5 0.925 115.8 47.8 -61.4 -44.9 23.1 5.8 9.9 26 24 A S H X5S+ 0 0 83 -4,-2.3 4,-1.3 -5,-0.3 -2,-0.2 0.964 123.6 30.0 -59.1 -55.5 23.2 7.2 6.4 27 25 A V H X5S+ 0 0 17 -4,-3.0 4,-1.2 2,-0.2 -3,-0.2 0.982 129.5 33.4 -73.4 -59.2 19.9 9.2 6.6 28 26 A A H <>S+ 0 0 0 -4,-2.1 5,-2.4 -5,-0.3 -3,-0.2 0.878 120.0 51.6 -71.3 -37.0 19.6 10.2 10.3 29 27 A G H >< S- 0 0 70 -25,-0.1 3,-1.8 4,-0.1 -1,-0.3 -0.959 82.5 -81.4-164.6 178.9 22.6 -10.3 13.3 43 41 A E T 3 S+ 0 0 128 -2,-0.3 -28,-0.1 1,-0.3 -29,-0.1 0.719 124.6 52.0 -66.3 -19.3 21.0 -13.7 13.9 44 42 A N T 3 S+ 0 0 158 -30,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.468 89.7 104.9 -93.9 -2.5 23.9 -14.8 16.1 45 43 A D S < S- 0 0 39 -3,-1.8 -5,-0.1 1,-0.2 3,-0.1 -0.163 93.8 -53.3 -75.4 168.8 23.8 -11.8 18.5 46 44 A H S S- 0 0 66 1,-0.1 -1,-0.2 -7,-0.1 2,-0.1 -0.225 76.9-109.8 -41.2 118.9 22.4 -11.7 22.0 47 45 A H + 0 0 108 -3,-0.1 2,-0.3 -7,-0.1 -1,-0.1 -0.375 46.1 169.8 -76.2 133.1 18.9 -13.1 21.4 48 46 A L - 0 0 3 -2,-0.1 -37,-2.4 -3,-0.1 2,-0.2 -0.969 17.4-159.8-135.4 150.0 15.8 -10.9 21.7 49 47 A T > - 0 0 42 -2,-0.3 4,-1.6 -39,-0.2 3,-0.5 -0.726 46.2 -92.6-115.5 178.2 12.1 -11.1 20.9 50 48 A Y H > S+ 0 0 105 -2,-0.2 4,-1.3 1,-0.2 32,-0.0 0.722 123.9 64.7 -66.0 -15.8 9.6 -8.3 20.3 51 49 A I H > S+ 0 0 67 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.940 102.3 46.6 -67.1 -46.4 8.8 -8.6 24.0 52 50 A H H > S+ 0 0 15 -3,-0.5 4,-2.8 1,-0.2 5,-0.2 0.870 104.5 63.7 -63.9 -35.1 12.3 -7.5 25.0 53 51 A L H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.909 101.5 49.1 -55.4 -46.0 12.1 -4.7 22.5 54 52 A G H X S+ 0 0 0 -4,-1.3 4,-2.4 -3,-0.3 -1,-0.2 0.906 111.5 49.0 -61.4 -41.6 9.3 -3.0 24.3 55 53 A I H X S+ 0 0 4 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.929 112.0 49.4 -64.9 -44.0 11.1 -3.2 27.7 56 54 A X H X S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.900 109.4 51.7 -59.2 -41.9 14.2 -1.8 26.1 57 55 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 5,-0.4 0.933 110.9 48.7 -64.2 -41.9 12.2 1.1 24.6 58 56 A S H X S+ 0 0 1 -4,-2.4 4,-2.9 2,-0.2 5,-0.4 0.953 112.7 46.7 -60.9 -47.8 10.8 1.9 28.0 59 57 A I H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 6,-0.4 0.944 117.6 42.1 -64.1 -44.2 14.1 1.8 29.7 60 58 A L H <>S+ 0 0 0 -4,-2.6 6,-1.7 -5,-0.2 5,-1.1 0.878 121.3 39.8 -71.2 -38.4 15.8 4.0 27.1 61 59 A L H ><5S+ 0 0 15 -4,-2.8 3,-1.2 -5,-0.3 -2,-0.2 0.928 116.9 47.2 -78.0 -44.3 13.0 6.5 26.7 62 60 A N H 3<5S+ 0 0 36 -4,-2.9 -2,-0.2 -5,-0.4 -3,-0.2 0.786 113.1 49.0 -69.1 -23.6 11.9 6.8 30.3 63 61 A S T 3<5S- 0 0 0 -4,-1.4 137,-3.1 -5,-0.4 138,-0.3 0.469 111.0-124.5 -90.2 -2.9 15.5 7.2 31.4 64 62 A K T < 5S+ 0 0 121 -3,-1.2 -3,-0.2 135,-0.2 -4,-0.1 0.631 71.2 134.2 65.1 17.8 15.9 9.8 28.7 65 63 A A S S+ 0 0 4 38,-0.1 4,-2.2 17,-0.1 5,-0.2 0.227 85.2 107.3 85.1 -14.1 5.6 -4.6 13.0 77 75 A Q H > S+ 0 0 111 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.944 75.2 45.4 -67.0 -51.9 2.5 -5.6 15.1 78 76 A G H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.945 116.8 46.0 -57.6 -47.2 4.2 -7.4 17.9 79 77 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 113.0 50.1 -65.2 -39.2 6.8 -4.7 18.4 80 78 A L H X S+ 0 0 30 -4,-2.2 4,-2.2 2,-0.2 11,-0.2 0.916 115.0 42.3 -64.6 -42.6 4.2 -1.9 18.2 81 79 A X H X S+ 0 0 111 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.874 113.1 53.7 -75.3 -33.0 1.9 -3.6 20.8 82 80 A S H < S+ 0 0 8 -4,-2.6 4,-0.4 -5,-0.3 -2,-0.2 0.868 113.1 43.6 -67.0 -38.6 4.9 -4.5 23.0 83 81 A C H >< S+ 0 0 0 -4,-2.2 3,-1.6 -5,-0.2 -2,-0.2 0.927 108.0 57.5 -70.6 -46.8 6.1 -0.9 23.0 84 82 A N H 3< S+ 0 0 53 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.737 92.6 67.6 -65.5 -21.2 2.8 0.8 23.5 85 83 A L T 3< S+ 0 0 114 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.1 0.814 86.8 85.7 -65.3 -26.0 2.0 -1.0 26.8 86 84 A H S X S- 0 0 11 -3,-1.6 3,-1.7 -4,-0.4 78,-0.1 -0.559 86.3-116.0 -82.5 134.9 4.8 0.9 28.5 87 85 A P T 3 S+ 0 0 22 0, 0.0 -25,-0.1 0, 0.0 -1,-0.1 -0.349 102.1 25.7 -60.5 148.0 4.2 4.3 30.0 88 86 A G T 3 S+ 0 0 31 72,-0.2 2,-0.5 1,-0.1 -4,-0.1 0.456 98.9 105.1 80.0 -2.0 6.2 7.0 28.3 89 87 A V < + 0 0 0 -3,-1.7 2,-0.6 -6,-0.2 -1,-0.1 -0.952 42.3 177.8-117.9 114.7 6.4 5.0 25.1 90 88 A V - 0 0 13 -2,-0.5 20,-1.6 -3,-0.1 21,-1.3 -0.914 12.7-179.9-120.6 98.3 4.2 6.2 22.2 91 89 A C E -d 111 0A 7 -2,-0.6 21,-0.2 -11,-0.2 2,-0.2 -0.895 7.8-169.2-113.6 120.4 4.8 4.0 19.2 92 90 A G E -d 112 0A 13 19,-2.3 21,-2.5 -2,-0.5 2,-0.2 -0.604 28.6-107.1 -96.3 164.3 3.2 4.3 15.8 93 91 A Y E -d 113 0A 140 19,-0.2 2,-0.3 -2,-0.2 21,-0.2 -0.548 30.9-165.9 -77.4 156.2 3.2 2.0 12.8 94 92 A C + 0 0 1 19,-1.9 21,-0.5 -2,-0.2 37,-0.1 -0.788 27.0 147.5-148.1 106.4 5.3 3.1 9.9 95 93 A L S S+ 0 0 85 1,-0.3 -1,-0.1 -2,-0.3 36,-0.1 0.611 70.7 14.8-112.7 -21.1 4.8 1.4 6.5 96 94 A E S >> S- 0 0 79 35,-0.1 3,-1.7 34,-0.1 4,-0.7 -0.961 88.6 -93.2-154.3 158.2 5.5 4.1 3.9 97 95 A P H >> S+ 0 0 26 0, 0.0 4,-1.4 0, 0.0 3,-0.9 0.794 117.5 56.5 -52.2 -40.3 7.0 7.6 4.1 98 96 A S H 3> S+ 0 0 55 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.744 97.6 65.7 -70.7 -17.8 3.9 9.7 4.7 99 97 A D H <> S+ 0 0 23 -3,-1.7 4,-2.4 2,-0.2 -1,-0.3 0.886 101.6 49.5 -58.7 -41.8 3.1 7.6 7.8 100 98 A A H S+ 0 0 52 -4,-2.3 4,-3.2 1,-0.2 5,-0.7 0.887 111.3 54.6 -61.4 -41.6 1.8 12.3 9.8 103 101 A F H X>S+ 0 0 13 -4,-2.4 5,-2.5 -5,-0.2 4,-1.5 0.955 110.1 46.6 -56.7 -48.6 2.9 10.4 12.9 104 102 A N H <5S+ 0 0 3 -4,-2.4 37,-2.4 3,-0.2 -1,-0.2 0.885 119.9 39.0 -61.8 -39.6 5.3 13.2 13.9 105 103 A Q H <5S+ 0 0 7 -4,-2.1 38,-1.8 35,-0.2 -2,-0.2 0.894 127.2 29.4 -79.4 -40.8 2.8 16.0 13.2 106 104 A I H <5S+ 0 0 47 -4,-3.2 50,-0.2 37,-0.2 -3,-0.2 0.909 136.1 20.5 -88.8 -48.2 -0.4 14.4 14.6 107 105 A N T < S+ 0 0 44 -43,-2.0 3,-1.7 -44,-0.5 2,-0.3 0.688 105.0 71.2-121.4 -54.6 9.1 -9.0 6.2 118 116 A K T 3 S+ 0 0 151 -44,-2.5 -1,-0.2 1,-0.3 3,-0.1 -0.521 120.4 4.0 -69.9 129.4 5.5 -8.4 5.2 119 117 A G T 3 S+ 0 0 83 -2,-0.3 2,-0.8 1,-0.2 -1,-0.3 0.546 104.0 122.6 73.1 4.8 5.4 -6.1 2.2 120 118 A F < + 0 0 42 -3,-1.7 -1,-0.2 -46,-0.1 2,-0.1 -0.841 33.5 134.0-108.1 102.1 9.2 -6.2 2.1 121 119 A G > - 0 0 43 -2,-0.8 3,-2.6 1,-0.3 4,-0.2 -0.244 60.3 -21.1-128.8-158.7 10.5 -7.4 -1.2 122 120 A W T 3 S+ 0 0 250 1,-0.3 -1,-0.3 2,-0.1 0, 0.0 -0.416 135.0 18.4 -52.4 130.6 12.9 -6.7 -3.8 123 121 A A T >> S+ 0 0 37 -3,-0.1 3,-1.3 1,-0.1 4,-0.7 0.501 82.5 132.4 80.7 8.4 13.7 -3.0 -3.4 124 122 A G H <> + 0 0 10 -3,-2.6 4,-1.8 1,-0.3 5,-0.1 0.728 61.2 69.3 -58.7 -31.3 12.3 -2.8 0.3 125 123 A E H 3> S+ 0 0 70 -4,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.782 91.9 59.9 -65.2 -28.6 15.5 -0.9 1.5 126 124 A L H <> S+ 0 0 56 -3,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.929 104.1 49.1 -62.2 -48.5 14.4 2.1 -0.5 127 125 A N H X S+ 0 0 58 -4,-0.7 4,-2.6 2,-0.2 -2,-0.2 0.901 109.9 52.0 -59.7 -41.0 11.2 2.4 1.4 128 126 A V H X S+ 0 0 4 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.954 111.1 48.0 -59.5 -48.3 13.1 2.1 4.7 129 127 A R H X S+ 0 0 82 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.929 112.6 47.6 -54.9 -48.5 15.4 4.9 3.6 130 128 A Y H X S+ 0 0 101 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.854 108.5 55.3 -67.1 -37.0 12.5 7.1 2.5 131 129 A I H X S+ 0 0 2 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.933 109.3 47.2 -58.3 -44.9 10.7 6.5 5.8 132 130 A F H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.883 107.2 57.7 -67.6 -36.2 13.8 7.7 7.7 133 131 A E H < S+ 0 0 67 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.896 114.2 37.2 -57.5 -44.6 14.0 10.7 5.5 134 132 A K H < S+ 0 0 105 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.818 115.0 54.6 -80.6 -31.2 10.5 11.8 6.4 135 133 A A H < S+ 0 0 1 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.846 117.9 32.6 -66.4 -32.5 10.7 10.7 10.1 136 134 A F S < S+ 0 0 5 -4,-1.9 2,-0.4 -5,-0.2 -1,-0.2 0.274 98.9 87.4-120.4 9.8 13.9 12.7 10.9 137 135 A T S S- 0 0 76 -4,-0.4 -109,-0.0 -3,-0.3 2,-0.0 -0.894 85.8 -5.3-106.4 138.4 13.7 15.8 8.7 138 136 A G S S- 0 0 41 -2,-0.4 2,-0.2 2,-0.0 -4,-0.0 -0.222 95.4 -34.2 86.0-168.5 11.8 18.9 9.9 139 137 A K - 0 0 122 -2,-0.0 2,-0.3 1,-0.0 3,-0.2 -0.484 50.9-138.1 -95.6 166.2 9.7 19.8 12.9 140 138 A R + 0 0 63 -2,-0.2 -35,-0.2 1,-0.2 -36,-0.1 -0.874 68.8 23.6-126.9 152.0 7.4 17.6 14.9 141 139 A G + 0 0 10 -37,-2.4 -36,-0.2 -2,-0.3 -1,-0.2 0.738 68.4 128.1 71.0 30.2 3.9 18.1 16.5 142 140 A E - 0 0 109 1,-0.2 -36,-0.1 -3,-0.2 -37,-0.1 0.470 68.0-118.9 -92.8 -1.0 2.5 20.9 14.4 143 141 A G - 0 0 4 -38,-1.8 3,-0.2 -39,-0.1 -37,-0.2 0.082 24.2 -98.0 81.4 158.1 -0.7 19.1 13.6 144 142 A Y S S+ 0 0 120 1,-0.5 2,-0.2 -39,-0.1 -1,-0.1 -0.795 101.3 18.7-166.3 131.5 -2.3 17.9 10.2 145 143 A P S > S- 0 0 58 0, 0.0 3,-2.9 0, 0.0 -1,-0.5 0.697 92.0-128.1 -74.8 165.8 -4.3 19.0 8.5 146 144 A I G > S+ 0 0 123 1,-0.3 3,-2.0 -3,-0.2 4,-0.3 0.780 103.3 70.4 -54.8 -29.5 -3.7 22.3 10.2 147 145 A E G 3 S+ 0 0 186 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.747 103.9 42.7 -57.4 -25.4 -7.4 22.7 10.9 148 146 A R G <> S+ 0 0 156 -3,-2.9 4,-2.3 1,-0.1 -1,-0.3 0.308 81.5 109.0-104.4 5.9 -7.2 19.9 13.5 149 147 A A H <> S+ 0 0 17 -3,-2.0 4,-2.9 -4,-0.3 3,-0.4 0.945 75.8 49.3 -50.3 -67.1 -3.9 21.0 15.1 150 148 A A H > S+ 0 0 71 -4,-0.3 4,-2.4 1,-0.3 -1,-0.2 0.883 116.0 41.7 -38.8 -58.4 -5.2 22.2 18.5 151 149 A P H > S+ 0 0 68 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.859 113.5 54.1 -65.7 -32.3 -7.4 19.1 19.2 152 150 A Q H X S+ 0 0 24 -4,-2.3 4,-2.2 -3,-0.4 -2,-0.2 0.928 111.5 44.7 -64.0 -45.6 -4.6 16.8 17.9 153 151 A Q H X S+ 0 0 97 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.883 113.1 51.9 -63.0 -40.6 -2.1 18.4 20.3 154 152 A A H X S+ 0 0 51 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.921 112.3 44.6 -63.1 -43.0 -4.7 18.2 23.1 155 153 A N H X S+ 0 0 107 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.872 109.6 54.7 -72.9 -35.3 -5.4 14.5 22.6 156 154 A A H X S+ 0 0 23 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.903 109.2 49.5 -63.3 -38.8 -1.7 13.6 22.2 157 155 A A H X S+ 0 0 50 -4,-2.0 4,-1.4 1,-0.2 3,-0.3 0.926 110.3 49.8 -63.9 -45.0 -1.1 15.3 25.6 158 156 A I H X S+ 0 0 84 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.898 101.3 63.4 -61.5 -38.5 -4.0 13.4 27.2 159 157 A L H X S+ 0 0 81 -4,-2.5 4,-2.4 1,-0.3 -1,-0.2 0.908 102.3 50.7 -53.5 -43.6 -2.7 10.1 25.8 160 158 A N H X S+ 0 0 86 -4,-1.3 4,-2.3 -3,-0.3 -1,-0.3 0.895 109.9 49.9 -62.7 -40.8 0.4 10.5 27.9 161 159 A N H X S+ 0 0 103 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.905 110.6 48.7 -61.0 -45.6 -1.7 11.2 31.1 162 160 A V H X S+ 0 0 77 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.914 111.0 50.6 -65.3 -40.7 -3.8 8.1 30.5 163 161 A K H X S+ 0 0 27 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.932 111.7 47.6 -61.0 -45.9 -0.8 5.9 30.0 164 162 A A H < S+ 0 0 66 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.839 113.9 48.6 -64.7 -32.3 0.8 7.2 33.2 165 163 A A H < S+ 0 0 84 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.903 112.7 44.3 -74.2 -44.3 -2.5 6.7 35.1 166 164 A V H < S+ 0 0 123 -4,-2.5 2,-0.2 -5,-0.2 -2,-0.2 0.783 107.9 71.2 -73.0 -30.3 -3.2 3.1 34.0 167 165 A A S < S- 0 0 27 -4,-1.7 3,-0.1 -5,-0.3 -81,-0.0 -0.593 84.5-115.8 -88.3 148.6 0.4 2.0 34.5 168 166 A K - 0 0 119 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.238 58.7 -68.9 -62.1 166.5 2.3 1.5 37.7 169 167 A D > - 0 0 126 1,-0.1 4,-2.8 4,-0.1 5,-0.3 -0.277 59.3-104.9 -54.0 150.0 5.3 3.8 38.3 170 168 A V H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.927 116.5 39.0 -51.2 -55.3 8.0 2.9 35.8 171 169 A V H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.934 115.4 52.1 -66.4 -42.3 10.4 1.1 38.1 172 170 A E H > S+ 0 0 115 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.898 111.2 49.5 -56.1 -43.9 7.6 -0.7 40.0 173 171 A G H >X S+ 0 0 22 -4,-2.8 4,-1.1 1,-0.2 3,-0.7 0.905 108.6 50.9 -62.5 -41.9 6.2 -1.9 36.7 174 172 A L H >< S+ 0 0 3 -4,-2.3 3,-0.5 1,-0.3 -1,-0.2 0.885 107.7 54.4 -65.3 -35.5 9.5 -3.1 35.5 175 173 A R H 3< S+ 0 0 136 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.737 104.3 55.3 -68.1 -23.8 9.9 -5.1 38.7 176 174 A A H << S+ 0 0 64 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.690 89.5 90.9 -82.8 -23.0 6.6 -6.7 38.2 177 175 A I S << S- 0 0 41 -4,-1.1 2,-0.1 -3,-0.5 5,-0.1 -0.398 105.8 -82.5 -65.1 150.5 7.6 -8.0 34.7 178 176 A D >> - 0 0 97 1,-0.2 4,-1.3 2,-0.1 3,-1.1 -0.408 43.4-139.5 -51.1 119.8 9.2 -11.5 34.8 179 177 A Q H 3> S+ 0 0 49 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.765 98.5 66.5 -68.1 -20.7 12.7 -10.4 35.7 180 178 A E H 3> S+ 0 0 140 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.907 101.3 50.9 -57.4 -41.9 14.2 -13.0 33.3 181 179 A L H <> S+ 0 0 48 -3,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.927 111.5 45.7 -62.3 -44.6 12.7 -10.8 30.5 182 180 A V H X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.914 110.4 52.9 -70.5 -40.7 14.2 -7.6 31.9 183 181 A K H < S+ 0 0 97 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.910 112.0 46.7 -56.5 -43.0 17.6 -9.2 32.4 184 182 A T H >< S+ 0 0 37 -4,-2.1 3,-1.3 -5,-0.2 4,-0.4 0.929 108.6 56.1 -64.4 -43.3 17.6 -10.4 28.8 185 183 A A H 3< S+ 0 0 0 -4,-2.4 3,-0.3 1,-0.3 -2,-0.2 0.861 116.2 34.8 -58.7 -38.0 16.4 -6.9 27.6 186 184 A V T 3< S+ 0 0 0 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.335 94.4 99.1 -99.9 9.5 19.4 -5.1 29.2 187 185 A G < + 0 0 27 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.712 56.2 89.5 -72.4 -25.9 21.9 -7.9 28.6 188 186 A S S > S- 0 0 8 -4,-0.4 4,-2.3 -3,-0.3 5,-0.2 -0.385 73.0-129.2 -81.5 154.1 23.8 -6.8 25.5 189 187 A T H > S+ 0 0 111 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.884 109.8 53.2 -62.5 -39.8 27.0 -4.7 25.4 190 188 A Q H > S+ 0 0 36 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.876 110.7 47.1 -68.1 -33.8 25.5 -2.4 22.8 191 189 A F H > S+ 0 0 0 -153,-0.2 4,-2.9 2,-0.2 5,-0.2 0.962 114.0 46.3 -67.8 -50.1 22.4 -1.8 25.0 192 190 A Q H X S+ 0 0 50 -4,-2.3 4,-2.7 1,-0.2 5,-0.4 0.888 108.8 55.7 -61.0 -39.0 24.4 -1.2 28.1 193 191 A E H X S+ 0 0 150 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.2 0.907 113.6 40.4 -62.7 -42.4 26.8 1.2 26.4 194 192 A C H X S+ 0 0 4 -4,-1.5 4,-1.4 -5,-0.2 5,-0.2 0.968 118.5 46.8 -67.6 -52.9 24.0 3.4 25.2 195 193 A F H >X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 3,-0.7 0.938 114.2 43.0 -57.8 -55.8 22.0 3.2 28.4 196 194 A F H 3< S+ 0 0 76 -4,-2.7 -1,-0.2 1,-0.2 -3,-0.2 0.815 113.8 52.6 -66.4 -28.8 24.8 3.9 31.0 197 195 A A H 3< S+ 0 0 68 -4,-1.1 -1,-0.2 -5,-0.4 -2,-0.2 0.767 125.1 22.6 -73.3 -27.9 26.3 6.7 28.9 198 196 A H H << S+ 0 0 56 -4,-1.4 -2,-0.2 -3,-0.7 -3,-0.2 0.516 81.8 127.8-124.9 -7.6 23.1 8.6 28.5 199 197 A C < - 0 0 30 -4,-2.6 -135,-0.2 -5,-0.2 -139,-0.1 -0.301 29.1-177.4 -56.5 131.6 20.7 7.7 31.4 200 198 A Q + 0 0 124 -137,-3.1 -1,-0.1 1,-0.1 -136,-0.1 0.282 62.7 76.5-112.1 6.3 19.5 10.8 33.2 201 199 A V >> - 0 0 41 -138,-0.3 4,-1.9 1,-0.1 3,-1.0 -0.877 60.5-164.2-124.6 100.4 17.4 9.0 35.8 202 200 A P H 3> S+ 0 0 90 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.818 86.2 60.0 -56.2 -37.0 19.4 7.4 38.6 203 201 A E H 3> S+ 0 0 116 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.887 108.6 45.5 -60.1 -37.5 16.6 5.2 39.9 204 202 A I H <> S+ 0 0 6 -3,-1.0 4,-3.1 2,-0.2 5,-0.2 0.937 112.5 50.0 -69.9 -44.9 16.5 3.4 36.6 205 203 A A H X S+ 0 0 17 -4,-1.9 4,-3.1 1,-0.2 -2,-0.2 0.933 111.1 49.9 -56.4 -46.8 20.2 3.1 36.3 206 204 A E H X S+ 0 0 132 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.916 112.3 47.4 -59.3 -44.1 20.4 1.7 39.8 207 205 A Y H X S+ 0 0 2 -4,-2.0 4,-0.7 -5,-0.2 -2,-0.2 0.934 112.8 47.9 -63.8 -49.2 17.6 -0.8 39.0 208 206 A V H >X S+ 0 0 0 -4,-3.1 3,-1.5 1,-0.2 4,-0.7 0.939 109.7 53.9 -57.1 -47.3 19.3 -1.9 35.7 209 207 A K H >< S+ 0 0 134 -4,-3.1 3,-1.3 1,-0.3 -1,-0.2 0.882 101.5 59.7 -53.4 -41.1 22.7 -2.2 37.5 210 208 A S H 3< S+ 0 0 81 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.708 101.9 54.1 -63.9 -21.8 21.0 -4.6 40.0 211 209 A L H << 0 0 22 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.681 360.0 360.0 -81.9 -18.9 20.1 -7.0 37.2 212 210 A L << 0 0 98 -3,-1.3 -25,-0.0 -4,-0.7 -29,-0.0 -0.291 360.0 360.0 -99.2 360.0 23.7 -7.2 35.8