==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-NOV-01 1KEH . COMPND 2 MOLECULE: PRECURSOR OF CEPHALOSPORIN ACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVUNDIMONAS DIMINUTA; . AUTHOR Y.KIM,S.KIM . 683 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25222.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 438 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 17.3 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 . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 39 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.3 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 2 3 0 1 2 2 1 3 0 0 1 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 2 5 4 3 3 1 0 0 1 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 3 1 0 1 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 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 7 A Q 0 0 202 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -92.8 34.3 18.2 10.2 2 8 A A - 0 0 61 1,-0.1 3,-0.1 626,-0.0 0, 0.0 -0.615 360.0 -96.2 -90.3 150.6 33.8 18.6 13.9 3 9 A P - 0 0 57 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.267 51.3 -91.7 -61.3 150.0 35.4 16.2 16.5 4 10 A I - 0 0 56 1,-0.1 221,-0.1 221,-0.1 0, 0.0 -0.365 58.6 -85.1 -62.4 145.4 33.2 13.4 17.6 5 11 A A - 0 0 97 -3,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.280 46.1-127.1 -54.8 128.8 31.3 14.3 20.8 6 12 A A - 0 0 54 -3,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.429 32.1 -96.2 -75.2 155.5 33.4 13.7 23.9 7 13 A Y - 0 0 62 -2,-0.1 -1,-0.1 1,-0.1 196,-0.0 -0.531 25.6-143.8 -77.1 137.3 31.9 11.7 26.7 8 14 A K - 0 0 125 -2,-0.2 2,-0.1 197,-0.1 19,-0.1 -0.839 20.6-140.7-100.8 97.4 30.2 13.5 29.6 9 15 A P - 0 0 8 0, 0.0 3,-0.1 0, 0.0 17,-0.0 -0.360 14.9-167.6 -61.5 131.6 31.0 11.4 32.7 10 16 A R S S+ 0 0 195 1,-0.2 2,-0.3 -2,-0.1 17,-0.1 0.321 70.2 13.6-101.3 7.5 28.0 11.1 35.0 11 17 A S S S- 0 0 56 2,-0.1 2,-0.5 671,-0.0 -1,-0.2 -0.952 85.6 -91.4-172.7 158.3 29.9 9.7 38.0 12 18 A N + 0 0 23 669,-0.3 669,-1.6 -2,-0.3 2,-0.3 -0.695 58.9 136.9 -86.2 125.2 33.5 9.1 39.2 13 19 A E E -AB 25 680A 26 12,-1.8 12,-2.5 -2,-0.5 2,-0.5 -0.977 44.4-136.9-163.9 149.7 35.0 5.8 38.2 14 20 A I E -AB 24 679A 0 665,-1.7 665,-2.4 -2,-0.3 2,-0.7 -0.962 16.4-161.5-111.6 123.2 38.2 4.2 36.9 15 21 A L E -AB 23 678A 0 8,-2.0 8,-1.1 -2,-0.5 2,-0.3 -0.922 12.1-160.3-106.7 110.0 37.7 1.5 34.2 16 22 A W E -AB 22 677A 7 661,-3.2 660,-3.3 -2,-0.7 661,-1.3 -0.709 4.3-146.1 -90.9 141.9 40.9 -0.6 34.0 17 23 A D E > - B 0 675A 15 4,-1.4 3,-2.4 -2,-0.3 4,-0.3 -0.485 37.9 -85.6 -99.3 174.4 41.6 -2.6 30.9 18 24 A G T 3 S+ 0 0 42 656,-0.7 657,-0.1 1,-0.3 -1,-0.0 0.588 125.7 53.7 -54.8 -13.7 43.4 -6.0 30.6 19 25 A Y T 3 S- 0 0 61 2,-0.1 621,-0.5 620,-0.0 -1,-0.3 0.306 120.6-100.1-106.2 9.2 46.8 -4.3 30.5 20 26 A G S < S+ 0 0 6 -3,-2.4 -2,-0.1 1,-0.3 178,-0.1 0.768 71.9 149.4 79.8 24.9 46.5 -2.2 33.7 21 27 A V - 0 0 0 -4,-0.3 -4,-1.4 178,-0.1 2,-0.3 -0.845 38.8-141.4 -97.1 113.2 45.6 0.9 31.8 22 28 A P E -A 16 0A 0 0, 0.0 178,-1.3 0, 0.0 2,-0.7 -0.525 10.9-161.4 -77.2 133.6 43.3 3.2 33.9 23 29 A H E -Ac 15 200A 1 -8,-1.1 -8,-2.0 -2,-0.3 2,-0.4 -0.837 18.6-160.6-114.4 87.5 40.5 5.1 32.2 24 30 A I E -Ac 14 201A 0 176,-2.3 178,-2.2 -2,-0.7 2,-0.5 -0.597 7.9-171.0 -75.0 122.4 39.8 7.8 34.9 25 31 A Y E +Ac 13 202A 1 -12,-2.5 -12,-1.8 -2,-0.4 2,-0.4 -0.967 7.6 176.3-117.9 121.0 36.3 9.4 34.6 26 32 A G - 0 0 0 176,-2.7 -14,-0.1 -2,-0.5 3,-0.0 -0.951 37.5-137.8-126.7 145.5 35.5 12.4 36.7 27 33 A V S S+ 0 0 60 -2,-0.4 2,-0.3 176,-0.2 176,-0.1 0.625 96.1 6.7 -71.5 -12.3 32.4 14.7 36.8 28 34 A D S > S- 0 0 67 174,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.956 89.5 -90.4-158.0 172.6 35.0 17.5 37.1 29 35 A A H > S+ 0 0 25 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.934 119.9 50.9 -57.6 -53.8 38.7 18.3 37.0 30 36 A P H > S+ 0 0 33 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.884 110.4 52.4 -53.6 -38.9 39.5 17.8 40.7 31 37 A S H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.939 109.6 47.9 -61.2 -48.9 37.7 14.4 40.6 32 38 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.897 110.7 50.5 -61.1 -41.9 39.7 13.3 37.6 33 39 A F H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.852 109.0 52.8 -65.8 -32.8 43.0 14.3 39.1 34 40 A Y H X S+ 0 0 27 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.923 110.3 47.0 -66.6 -45.3 42.1 12.4 42.3 35 41 A G H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 -2,-0.2 0.918 111.1 52.2 -61.9 -42.6 41.4 9.3 40.2 36 42 A Y H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.911 110.5 47.9 -59.5 -43.5 44.7 9.8 38.4 37 43 A G H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.857 111.9 50.2 -66.6 -35.4 46.5 10.1 41.7 38 44 A W H X S+ 0 0 29 -4,-2.2 4,-2.6 2,-0.2 3,-0.5 0.971 110.7 48.7 -66.0 -52.4 44.7 6.9 43.0 39 45 A A H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.3 5,-0.2 0.882 110.3 50.4 -55.9 -42.6 45.7 5.0 39.8 40 46 A Q H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.3 0.832 109.7 51.3 -67.3 -29.4 49.3 6.0 40.0 41 47 A A H X S+ 0 0 4 -4,-1.3 4,-2.0 -3,-0.5 -2,-0.2 0.941 111.8 47.6 -69.9 -46.1 49.4 4.9 43.6 42 48 A R H < S+ 0 0 72 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.953 122.1 34.3 -55.8 -53.9 47.9 1.6 42.6 43 49 A S H < S+ 0 0 4 -4,-3.0 599,-1.9 1,-0.2 600,-0.5 0.787 141.7 5.1 -77.0 -32.4 50.4 1.1 39.8 44 50 A H H X S+ 0 0 2 -4,-2.8 4,-2.2 -5,-0.2 3,-0.4 0.123 78.9 137.7-143.4 25.7 53.6 2.7 41.1 45 51 A G H X + 0 0 2 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.823 69.3 54.0 -42.2 -50.4 52.9 3.7 44.7 46 52 A D H > S+ 0 0 23 -5,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.942 113.4 39.7 -57.9 -50.4 56.2 2.6 46.2 47 53 A N H > S+ 0 0 46 -3,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.867 113.4 54.4 -69.8 -34.3 58.5 4.5 43.9 48 54 A I H X S+ 0 0 2 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.954 110.8 45.9 -63.0 -47.5 56.3 7.6 43.7 49 55 A L H X S+ 0 0 2 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.830 112.6 52.3 -64.1 -30.8 56.3 7.9 47.5 50 56 A R H X S+ 0 0 39 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.949 112.0 44.6 -69.8 -46.3 60.0 7.3 47.5 51 57 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.902 112.7 51.0 -63.6 -42.7 60.6 10.1 45.0 52 58 A Y H X S+ 0 0 0 -4,-2.9 4,-0.8 1,-0.2 -1,-0.2 0.886 108.8 53.1 -62.1 -39.1 58.3 12.5 46.8 53 59 A G H ><>S+ 0 0 0 -4,-1.8 5,-1.7 -5,-0.2 3,-0.8 0.908 109.3 47.6 -62.7 -41.8 60.1 11.8 49.9 54 60 A E H ><5S+ 0 0 12 -4,-2.0 3,-2.1 1,-0.2 5,-0.4 0.897 105.3 59.7 -64.7 -41.3 63.4 12.6 48.3 55 61 A A H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.662 99.4 57.4 -60.8 -21.0 61.9 15.8 46.9 56 62 A R T <<5S- 0 0 53 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.521 118.4-114.8 -84.7 -9.1 61.2 16.9 50.4 57 63 A G T < 5S+ 0 0 6 -3,-2.1 3,-0.3 -4,-0.2 4,-0.2 0.627 90.2 115.7 82.9 12.8 64.9 16.6 51.1 58 64 A K >< + 0 0 64 -5,-1.7 4,-3.3 -6,-0.2 5,-0.3 0.341 34.4 106.6 -95.7 4.6 64.0 13.8 53.5 59 65 A G H > S+ 0 0 0 -5,-0.4 4,-2.4 -6,-0.3 5,-0.2 0.865 83.7 42.7 -50.9 -43.1 65.7 11.1 51.5 60 66 A A H > S+ 0 0 0 7,-0.3 210,-2.6 -3,-0.3 4,-1.7 0.868 115.1 49.6 -73.8 -35.9 68.6 10.8 54.0 61 67 A E H 4 S+ 0 0 48 208,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.915 119.6 37.4 -68.1 -43.0 66.3 10.9 57.0 62 68 A Y H < S+ 0 0 14 -4,-3.3 -2,-0.2 1,-0.1 -3,-0.2 0.875 137.5 11.7 -77.7 -41.5 64.0 8.3 55.6 63 69 A W H < S- 0 0 19 -4,-2.4 3,-0.4 -5,-0.3 -3,-0.2 0.298 93.2-143.3-126.0 10.9 66.4 5.9 53.9 64 70 A G >< + 0 0 2 -4,-1.7 3,-2.2 -5,-0.2 4,-0.3 -0.099 57.7 4.2 69.2-162.3 69.9 6.9 55.0 65 71 A P G >> S+ 0 0 73 0, 0.0 3,-1.1 0, 0.0 4,-0.5 0.613 118.1 58.3 -26.8 -54.0 73.4 6.9 53.3 66 72 A D G 34 S+ 0 0 146 -3,-0.4 4,-0.1 1,-0.2 -2,-0.1 0.502 113.6 42.2 -69.7 -0.8 72.5 6.0 49.7 67 73 A Y G <> S+ 0 0 52 -3,-2.2 4,-1.5 -8,-0.1 -7,-0.3 0.420 89.2 91.7-121.0 -2.9 70.1 8.9 49.5 68 74 A E H <> S+ 0 0 36 -3,-1.1 4,-2.6 -4,-0.3 5,-0.3 0.885 79.2 56.4 -60.9 -47.2 72.3 11.5 51.3 69 75 A Q H X S+ 0 0 140 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.917 109.4 47.4 -54.1 -46.7 74.1 13.0 48.2 70 76 A T H > S+ 0 0 32 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.881 109.9 53.9 -63.1 -37.6 70.7 13.8 46.6 71 77 A T H X S+ 0 0 1 -4,-1.5 4,-2.6 2,-0.2 5,-0.3 0.941 109.9 45.9 -61.6 -48.1 69.6 15.4 49.9 72 78 A V H X S+ 0 0 40 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.890 113.8 51.0 -61.8 -39.4 72.6 17.7 50.1 73 79 A W H X S+ 0 0 7 -4,-2.2 4,-1.4 -5,-0.3 -2,-0.2 0.941 114.3 41.6 -64.6 -48.0 72.1 18.5 46.4 74 80 A L H <>S+ 0 0 0 -4,-3.0 5,-2.4 2,-0.2 -2,-0.2 0.830 116.9 47.3 -72.0 -32.3 68.4 19.4 46.8 75 81 A L H ><5S+ 0 0 33 -4,-2.6 3,-2.5 -5,-0.2 -2,-0.2 0.948 109.3 52.1 -73.9 -47.2 68.8 21.3 50.1 76 82 A T H 3<5S+ 0 0 12 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.860 112.7 47.2 -57.0 -33.3 71.7 23.3 49.0 77 83 A N T 3<5S- 0 0 5 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.249 109.8-127.0 -91.5 12.6 69.6 24.3 45.9 78 84 A G T <>5 + 0 0 20 -3,-2.5 4,-2.1 1,-0.1 -3,-0.2 0.737 57.0 149.6 48.5 31.7 66.6 25.1 48.2 79 85 A V H >< + 0 0 0 -5,-2.4 4,-1.6 1,-0.2 5,-0.2 0.920 63.7 51.1 -61.9 -49.1 64.4 22.8 46.1 80 86 A P H > S+ 0 0 24 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.926 113.5 44.9 -60.5 -39.2 62.0 21.7 48.9 81 87 A E H >> S+ 0 0 127 1,-0.2 4,-1.8 2,-0.2 3,-0.7 0.917 110.2 53.0 -68.9 -40.9 61.3 25.2 50.1 82 88 A R H 3X S+ 0 0 39 -4,-2.1 4,-3.6 1,-0.3 5,-0.2 0.787 102.3 61.6 -63.5 -25.8 60.8 26.7 46.5 83 89 A A H 3X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -1,-0.3 0.867 102.2 50.7 -67.5 -34.8 58.3 23.9 46.0 84 90 A Q H < S+ 0 0 48 -4,-2.4 3,-1.7 -5,-0.2 -1,-0.2 0.961 111.3 43.7 -56.3 -54.7 52.8 25.6 45.3 88 94 A A H 3< S+ 0 0 67 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.866 109.0 59.2 -59.4 -37.6 51.4 28.8 46.9 89 95 A Q T 3< S+ 0 0 108 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.383 82.7 114.9 -74.8 3.9 52.0 30.7 43.7 90 96 A Q S < S- 0 0 14 -3,-1.7 221,-0.1 -5,-0.2 -3,-0.0 -0.251 80.3 -96.9 -70.0 162.3 49.7 28.3 41.7 91 97 A S > - 0 0 35 1,-0.1 4,-2.8 220,-0.0 5,-0.3 -0.581 35.2-117.5 -76.0 146.0 46.4 29.6 40.2 92 98 A P H > S+ 0 0 96 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.899 113.8 53.3 -49.6 -44.3 43.6 28.7 42.6 93 99 A D H >> S+ 0 0 137 1,-0.2 4,-1.1 2,-0.2 3,-0.6 0.955 113.7 38.3 -55.2 -59.5 42.0 26.5 39.9 94 100 A F H 3> S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.858 108.8 62.0 -64.7 -37.6 45.1 24.4 39.2 95 101 A R H 3X S+ 0 0 61 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.805 101.0 55.5 -59.7 -28.0 46.2 24.2 42.9 96 102 A A H < + 0 0 38 -4,-1.2 3,-1.6 -5,-0.3 4,-0.3 -0.372 62.9 155.5-141.1 56.9 45.0 -0.5 50.7 113 119 A P G > S+ 0 0 78 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.767 73.5 63.4 -56.5 -26.0 47.7 -0.2 53.3 114 120 A D G 3 S+ 0 0 122 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.765 93.6 61.2 -71.0 -26.1 49.0 -3.7 52.5 115 121 A D G < S+ 0 0 67 -3,-1.6 2,-0.6 -6,-0.1 -1,-0.3 0.511 89.1 89.1 -78.5 -2.4 49.9 -2.5 49.0 116 122 A I S < S- 0 0 5 -3,-1.1 5,-0.1 -4,-0.3 -1,-0.0 -0.856 83.4-120.9-105.2 118.4 52.4 0.0 50.4 117 123 A S > - 0 0 43 -2,-0.6 3,-1.6 1,-0.1 4,-0.5 -0.203 22.9-125.3 -51.4 135.4 55.9 -1.1 51.1 118 124 A P G > S+ 0 0 91 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.875 104.3 60.4 -51.3 -46.0 56.8 -0.6 54.8 119 125 A E G 3 S+ 0 0 87 1,-0.3 -2,-0.1 2,-0.1 3,-0.0 0.614 108.4 43.2 -64.5 -12.7 59.9 1.5 54.2 120 126 A V G X S+ 0 0 0 -3,-1.6 3,-1.5 1,-0.1 4,-0.5 0.384 85.0 91.8-111.5 0.4 57.9 4.3 52.4 121 127 A R G X S+ 0 0 119 -3,-1.4 3,-1.4 -4,-0.5 -2,-0.1 0.853 76.9 67.0 -63.0 -32.5 54.9 4.5 54.7 122 128 A Q G 3 S+ 0 0 89 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.644 90.3 66.3 -63.1 -14.2 56.6 7.2 56.8 123 129 A V G < S+ 0 0 0 -3,-1.5 -1,-0.3 -61,-0.0 -2,-0.2 0.770 84.9 133.5 -77.6 -30.0 56.3 9.4 53.7 124 130 A L < + 0 0 51 -3,-1.4 2,-0.1 -4,-0.5 3,-0.0 -0.387 39.7 47.5 -72.8 148.8 52.5 9.6 53.9 125 131 A P S S- 0 0 101 0, 0.0 2,-0.3 0, 0.0 -22,-0.1 0.618 73.6-166.3 -86.6 158.8 50.5 11.7 53.8 126 132 A V - 0 0 6 -24,-0.3 2,-0.2 -2,-0.1 -20,-0.2 -0.724 4.1-153.8-104.4 158.1 51.6 13.6 50.7 127 133 A S >> - 0 0 51 -2,-0.3 4,-1.5 1,-0.1 3,-0.5 -0.767 35.1 -97.3-127.4 170.5 50.4 17.0 49.6 128 134 A G H 3> S+ 0 0 1 1,-0.3 4,-2.1 -2,-0.2 5,-0.2 0.853 124.1 57.6 -54.6 -35.0 50.0 19.2 46.6 129 135 A A H 3> S+ 0 0 2 1,-0.2 4,-3.1 2,-0.2 -1,-0.3 0.917 100.5 56.3 -62.8 -42.6 53.3 20.8 47.5 130 136 A D H <> S+ 0 0 9 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.871 106.7 49.9 -56.3 -40.6 55.0 17.3 47.3 131 137 A V H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.962 112.8 46.7 -61.9 -51.5 53.8 16.9 43.7 132 138 A 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528 A N T 3 S- 0 0 70 -3,-0.2 -1,-0.3 -6,-0.1 -2,-0.2 0.494 109.0-124.2 -94.3 -4.9 79.4 5.1 22.2 523 529 A F S < S+ 0 0 10 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.636 83.7 107.8 72.4 18.0 79.7 4.8 18.4 524 530 A A + 0 0 47 -5,-0.4 -4,-0.2 -89,-0.1 -3,-0.1 0.525 39.4 124.6-102.9 -7.3 79.9 8.6 18.0 525 531 A G - 0 0 28 -6,-2.9 3,-0.1 1,-0.1 -5,-0.0 -0.225 33.5-178.1 -55.6 138.9 83.5 8.9 17.1 526 532 A Q > + 0 0 73 1,-0.1 3,-2.1 2,-0.1 -1,-0.1 0.617 57.5 94.9-112.2 -20.7 84.2 10.7 13.8 527 533 A A T 3 S+ 0 0 87 1,-0.3 -1,-0.1 5,-0.0 -8,-0.1 0.565 81.8 58.2 -50.8 -12.3 88.0 10.5 13.5 528 534 A A T 3 S+ 0 0 13 -10,-0.2 18,-2.5 18,-0.1 19,-0.4 0.468 80.3 98.4-104.9 1.4 87.9 7.4 11.4 529 535 A F < - 0 0 15 -3,-2.1 16,-0.3 16,-0.3 15,-0.2 -0.587 62.5-143.7 -89.3 152.5 85.8 8.4 8.4 530 536 A A S S+ 0 0 55 13,-0.8 14,-0.2 14,-0.4 -1,-0.1 0.901 94.0 43.2 -77.1 -43.2 87.3 9.4 5.0 531 537 A T B S-A 543 0J 67 12,-3.0 12,-1.8 13,-0.1 -1,-0.2 -0.914 88.4-135.7-108.0 116.7 84.7 12.1 4.4 532 538 A P - 0 0 98 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0.0 -9,-0.1 0.628 78.4 176.1 -73.9 166.9 80.3 11.1 7.2 543 549 A Y B +A 531 0J 91 -12,-1.8 -12,-3.0 -2,-0.2 -13,-0.8 -0.985 24.8 6.2-144.0 152.8 81.4 8.4 4.8 544 550 A G S S- 0 0 0 -74,-2.0 2,-0.5 -2,-0.3 -14,-0.4 0.086 78.1 -70.9 73.5 175.8 84.1 5.8 4.2 545 551 A V - 0 0 7 -16,-0.3 -16,-0.3 -74,-0.2 -1,-0.1 -0.941 28.2-158.7-113.3 122.8 87.1 4.7 6.1 546 552 A R S S+ 0 0 148 -18,-2.5 -1,-0.1 -2,-0.5 -17,-0.1 0.926 89.4 23.2 -65.3 -45.5 90.1 7.0 6.4 547 553 A D > - 0 0 49 -19,-0.4 4,-2.7 1,-0.1 3,-0.3 -0.726 64.4-179.8-127.2 83.1 92.7 4.3 7.2 548 554 A P H > S+ 0 0 47 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.835 83.8 54.3 -49.6 -39.4 91.6 0.8 5.9 549 555 A K H > S+ 0 0 158 2,-0.2 4,-1.4 1,-0.2 3,-0.4 0.940 111.7 43.3 -62.2 -48.5 94.7 -0.9 7.2 550 556 A A H >> S+ 0 0 41 -3,-0.3 4,-2.1 1,-0.2 3,-0.8 0.950 111.0 55.8 -61.2 -48.8 94.2 0.4 10.8 551 557 A A H 3X S+ 0 0 1 -4,-2.7 4,-1.6 1,-0.3 -1,-0.2 0.760 104.2 55.0 -55.8 -27.3 90.5 -0.4 10.6 552 558 A V H 3X S+ 0 0 6 -4,-1.3 4,-2.6 -3,-0.4 -1,-0.3 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