==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-SEP-01 1JVZ . COMPND 2 MOLECULE: CEPHALOSPORIN ACYLASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVUNDIMONAS DIMINUTA; . AUTHOR Y.KIM,W.G.J.HOL . 672 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25301.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 438 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 18.0 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 . 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 . 38 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 3 1 1 2 2 1 2 1 0 1 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 PARALLEL BRIDGES PER LADDER . 4 3 7 3 4 2 0 1 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 . 2 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 0 207 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -71.5 34.2 18.5 10.2 2 8 A A - 0 0 70 1,-0.1 3,-0.1 616,-0.0 0, 0.0 -0.820 360.0 -92.3-102.4 141.8 33.7 19.0 13.9 3 9 A P - 0 0 59 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.108 55.2 -88.8 -48.9 145.8 35.3 16.6 16.6 4 10 A I - 0 0 59 1,-0.2 211,-0.1 211,-0.1 0, 0.0 -0.240 63.4 -74.8 -57.3 148.2 33.1 13.8 17.6 5 11 A A - 0 0 97 -3,-0.1 -1,-0.2 1,-0.1 2,-0.0 -0.179 53.3-120.8 -48.5 125.3 30.8 14.6 20.5 6 12 A A - 0 0 73 -3,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.357 28.9-108.2 -67.6 149.8 32.8 14.7 23.8 7 13 A Y - 0 0 77 186,-0.1 -1,-0.1 1,-0.0 186,-0.0 -0.598 22.5-145.7 -81.1 141.7 31.6 12.3 26.5 8 14 A K - 0 0 117 -2,-0.3 2,-0.2 187,-0.1 19,-0.1 -0.835 14.4-145.9-110.5 93.8 29.9 13.8 29.5 9 15 A P - 0 0 8 0, 0.0 3,-0.1 0, 0.0 17,-0.0 -0.377 13.4-170.8 -61.4 126.6 30.9 11.7 32.6 10 16 A R + 0 0 209 -2,-0.2 2,-0.3 1,-0.1 17,-0.1 0.038 68.6 19.4-107.0 25.7 28.0 11.6 35.1 11 17 A S S S- 0 0 58 2,-0.1 2,-0.5 659,-0.0 -1,-0.1 -0.889 84.2 -95.9 178.1 154.7 30.0 10.0 37.9 12 18 A N + 0 0 24 659,-0.3 659,-1.4 -2,-0.3 2,-0.3 -0.727 57.4 134.3 -89.4 128.0 33.5 9.4 39.1 13 19 A E E -AB 25 670A 28 12,-1.8 12,-2.2 -2,-0.5 2,-0.5 -0.962 45.6-134.8-168.5 149.0 35.1 6.1 38.2 14 20 A I E -AB 24 669A 0 655,-1.9 655,-2.2 -2,-0.3 2,-0.8 -0.949 16.8-160.2-110.6 122.7 38.3 4.5 36.8 15 21 A L E -AB 23 668A 1 8,-2.1 8,-0.6 -2,-0.5 2,-0.3 -0.883 13.3-158.4-105.8 104.8 37.8 1.8 34.1 16 22 A W E -AB 22 667A 6 651,-2.7 650,-3.2 -2,-0.8 651,-1.0 -0.599 5.0-148.2 -83.5 142.6 40.9 -0.3 34.0 17 23 A D E > - B 0 665A 16 4,-1.3 3,-2.2 -2,-0.3 648,-0.2 -0.428 37.4 -81.1-102.5 179.2 41.7 -2.4 30.9 18 24 A G T 3 S+ 0 0 39 646,-0.7 647,-0.1 1,-0.3 -2,-0.0 0.643 126.5 48.1 -54.1 -19.7 43.5 -5.7 30.3 19 25 A Y T 3 S- 0 0 58 2,-0.1 611,-0.5 610,-0.0 -1,-0.3 0.308 121.0 -97.9-107.1 9.6 46.9 -4.1 30.5 20 26 A G S < S+ 0 0 5 -3,-2.2 -2,-0.1 1,-0.3 168,-0.1 0.755 71.5 151.5 81.9 23.8 46.5 -2.0 33.7 21 27 A V - 0 0 0 -4,-0.1 -4,-1.3 168,-0.1 2,-0.3 -0.816 38.0-141.0 -92.7 112.5 45.7 1.2 31.8 22 28 A P E -A 16 0A 0 0, 0.0 168,-1.3 0, 0.0 2,-0.7 -0.545 10.7-161.1 -77.5 133.1 43.5 3.4 33.9 23 29 A H E -Ac 15 190A 1 -8,-0.6 -8,-2.1 -2,-0.3 2,-0.4 -0.856 17.3-159.0-113.4 91.8 40.7 5.4 32.2 24 30 A I E -Ac 14 191A 0 166,-2.5 168,-2.7 -2,-0.7 2,-0.5 -0.601 9.1-171.6 -78.7 125.3 39.9 8.1 34.7 25 31 A Y E +Ac 13 192A 1 -12,-2.2 -12,-1.8 -2,-0.4 2,-0.3 -0.968 7.4 177.8-119.9 119.3 36.4 9.8 34.5 26 32 A G - 0 0 0 166,-2.6 -14,-0.1 -2,-0.5 3,-0.1 -0.925 36.8-138.7-123.2 146.9 35.6 12.8 36.6 27 33 A V S S+ 0 0 57 -2,-0.3 2,-0.3 166,-0.2 166,-0.1 0.590 95.0 3.6 -74.6 -8.9 32.5 15.0 36.8 28 34 A D S > S- 0 0 64 164,-0.1 4,-1.9 1,-0.1 3,-0.2 -0.970 89.9 -85.1-163.6 171.3 35.1 17.9 37.0 29 35 A A H > S+ 0 0 31 -2,-0.3 4,-1.9 1,-0.2 3,-0.2 0.919 120.6 48.0 -50.8 -59.0 38.8 18.7 36.9 30 36 A P H > S+ 0 0 33 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.846 110.3 55.0 -54.5 -36.2 39.7 18.1 40.6 31 37 A S H > S+ 0 0 5 -3,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.934 107.5 49.1 -62.3 -46.4 37.9 14.8 40.4 32 38 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.826 110.1 50.2 -63.9 -34.6 40.0 13.7 37.4 33 39 A F H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.829 109.1 52.6 -74.0 -30.0 43.2 14.7 39.1 34 40 A Y H X S+ 0 0 26 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.919 110.0 48.1 -68.5 -44.8 42.2 12.7 42.2 35 41 A G H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.925 111.4 50.8 -60.6 -44.6 41.5 9.6 40.0 36 42 A Y H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.910 109.8 49.9 -59.6 -44.1 44.9 10.1 38.3 37 43 A G H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.905 112.0 48.2 -61.5 -41.6 46.6 10.3 41.7 38 44 A W H X S+ 0 0 27 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.944 111.0 50.6 -62.9 -49.3 44.9 7.2 42.8 39 45 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.916 110.5 47.9 -56.8 -47.4 45.8 5.3 39.6 40 46 A Q H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.831 110.2 52.7 -65.7 -31.0 49.5 6.3 39.8 41 47 A A H X S+ 0 0 3 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.946 110.2 48.3 -67.5 -47.4 49.6 5.2 43.5 42 48 A R H < S+ 0 0 71 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.920 120.9 36.0 -56.4 -47.0 48.2 1.8 42.6 43 49 A S H < S+ 0 0 5 -4,-2.4 589,-1.7 -5,-0.2 590,-0.6 0.792 141.3 3.6 -81.9 -32.6 50.6 1.3 39.7 44 50 A H H X S+ 0 0 2 -4,-2.7 4,-2.0 -5,-0.2 3,-0.4 0.184 79.8 137.7-141.4 18.4 53.9 2.9 41.0 45 51 A G H X + 0 0 1 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.755 68.6 55.4 -35.9 -47.6 53.1 4.0 44.5 46 52 A D H > S+ 0 0 22 -5,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.966 113.0 38.0 -58.0 -57.8 56.4 2.8 46.1 47 53 A N H > S+ 0 0 41 -3,-0.4 4,-2.7 1,-0.2 5,-0.2 0.838 114.1 56.3 -64.6 -33.6 58.8 4.7 43.8 48 54 A I H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.946 109.5 45.4 -63.9 -46.4 56.6 7.7 43.7 49 55 A L H X S+ 0 0 2 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.885 113.3 51.0 -64.1 -37.0 56.6 8.1 47.5 50 56 A R H X S+ 0 0 44 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.922 112.6 45.1 -65.9 -44.2 60.3 7.5 47.6 51 57 A L H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.909 112.2 50.8 -66.6 -42.8 60.9 10.2 44.9 52 58 A Y H X S+ 0 0 1 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.905 108.1 56.3 -60.6 -38.6 58.6 12.6 46.6 53 59 A G H ><>S+ 0 0 0 -4,-2.2 5,-1.5 -5,-0.2 3,-0.5 0.902 107.2 46.1 -59.8 -43.1 60.5 11.8 49.8 54 60 A E H ><5S+ 0 0 14 -4,-1.8 3,-2.1 1,-0.2 5,-0.4 0.882 104.6 62.8 -68.0 -36.7 63.8 12.9 48.3 55 61 A A H 3<5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.775 96.6 58.2 -59.0 -27.8 62.2 16.0 46.8 56 62 A R T <<5S- 0 0 54 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.619 119.4-113.8 -76.1 -11.5 61.5 17.2 50.4 57 63 A G T < 5S+ 0 0 8 -3,-2.1 -3,-0.2 -4,-0.3 -2,-0.2 0.750 90.6 111.6 83.4 25.3 65.2 16.9 51.0 58 64 A K >< + 0 0 82 -5,-1.5 4,-3.0 1,-0.1 5,-0.3 0.162 30.2 111.0-116.6 17.1 64.7 14.1 53.4 59 65 A G H > S+ 0 0 0 -5,-0.4 4,-2.8 1,-0.2 9,-0.2 0.907 83.2 45.9 -58.0 -43.6 66.1 11.2 51.5 60 66 A A H > S+ 0 0 0 7,-0.4 200,-2.8 1,-0.2 4,-1.4 0.857 114.1 49.5 -68.6 -33.9 69.0 10.8 53.9 61 67 A E H 4 S+ 0 0 51 198,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.922 118.6 37.3 -70.6 -43.8 66.7 11.1 56.9 62 68 A Y H < S+ 0 0 15 -4,-3.0 -2,-0.2 1,-0.1 -3,-0.2 0.889 136.8 12.9 -76.5 -42.0 64.3 8.5 55.6 63 69 A W H < S- 0 0 18 -4,-2.8 3,-0.4 -5,-0.3 -3,-0.2 0.169 96.9-133.6-126.9 19.1 66.7 6.0 54.0 64 70 A G >< - 0 0 3 -4,-1.4 3,-1.7 1,-0.2 -1,-0.3 -0.119 56.6 -6.7 73.8-164.4 70.2 6.8 55.1 65 71 A P G >> S+ 0 0 76 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.677 116.5 64.4 -40.5 -45.7 73.7 7.2 53.4 66 72 A D G 34 S+ 0 0 144 -3,-0.4 4,-0.1 1,-0.2 -2,-0.1 0.516 111.1 41.3 -69.2 -0.0 73.0 6.1 49.9 67 73 A Y G <> S+ 0 0 55 -3,-1.7 4,-2.0 -8,-0.1 -7,-0.4 0.392 87.8 93.3-122.5 -1.9 70.6 9.1 49.6 68 74 A E H <> S+ 0 0 34 -3,-1.2 4,-2.5 -4,-0.2 5,-0.2 0.839 79.4 58.5 -62.1 -38.2 72.8 11.7 51.4 69 75 A Q H X S+ 0 0 168 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.942 109.7 43.2 -58.1 -50.7 74.5 13.0 48.2 70 76 A T H > S+ 0 0 36 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.916 110.5 57.0 -61.8 -44.3 71.2 13.9 46.6 71 77 A T H X S+ 0 0 2 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.943 109.7 44.6 -52.0 -51.8 69.9 15.4 49.9 72 78 A V H X S+ 0 0 40 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.909 112.2 52.8 -59.3 -44.9 72.9 17.8 50.0 73 79 A W H X S+ 0 0 10 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.929 112.8 43.3 -58.5 -47.1 72.5 18.7 46.3 74 80 A L H <>S+ 0 0 0 -4,-3.0 5,-2.5 1,-0.2 -1,-0.2 0.802 114.7 49.6 -72.3 -28.9 68.8 19.6 46.7 75 81 A L H ><5S+ 0 0 31 -4,-2.1 3,-2.4 -5,-0.3 -2,-0.2 0.934 106.2 53.4 -75.4 -45.9 69.3 21.5 49.9 76 82 A T H 3<5S+ 0 0 13 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.817 113.9 44.5 -58.5 -29.6 72.2 23.6 48.8 77 83 A N T 3<5S- 0 0 8 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.240 109.7-130.1 -96.8 10.6 70.0 24.7 45.8 78 84 A G T <>5 + 0 0 22 -3,-2.4 4,-2.0 1,-0.1 -3,-0.2 0.768 52.1 153.4 44.3 40.6 67.1 25.2 48.1 79 85 A V H >< + 0 0 0 -5,-2.5 4,-2.0 1,-0.2 5,-0.2 0.941 64.8 53.1 -62.7 -52.2 64.7 23.1 46.0 80 86 A P H > S+ 0 0 24 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.872 113.7 43.3 -54.8 -38.2 62.3 21.9 48.8 81 87 A E H >> S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 3,-0.5 0.914 111.2 52.6 -75.2 -41.2 61.7 25.5 50.0 82 88 A R H 3X S+ 0 0 41 -4,-2.0 4,-3.1 1,-0.3 5,-0.2 0.821 104.3 60.6 -62.0 -27.1 61.4 27.0 46.5 83 89 A A H 3X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.3 0.875 101.8 50.4 -66.4 -38.5 58.8 24.2 46.0 84 90 A Q H < S+ 0 0 50 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.945 109.8 45.9 -58.3 -48.9 53.1 25.9 45.2 88 94 A A H 3< S+ 0 0 68 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.820 109.0 56.8 -63.3 -32.3 51.8 29.1 46.8 89 95 A Q T 3< S+ 0 0 115 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.444 83.9 110.8 -81.2 -0.6 52.3 31.0 43.6 90 96 A Q S < S- 0 0 15 -3,-1.4 211,-0.1 -4,-0.4 -3,-0.0 -0.194 80.4 -97.3 -67.1 166.6 50.0 28.6 41.6 91 97 A S > - 0 0 35 1,-0.1 4,-2.6 210,-0.0 5,-0.3 -0.586 32.7-114.5 -83.2 151.6 46.7 29.8 40.4 92 98 A P H > S+ 0 0 98 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.888 114.5 51.1 -51.9 -43.5 43.7 28.9 42.6 93 99 A D H > S+ 0 0 132 1,-0.2 4,-1.3 2,-0.2 3,-0.5 0.973 115.1 39.4 -57.9 -59.6 42.2 26.7 39.9 94 100 A F H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.791 110.0 59.5 -64.2 -31.1 45.3 24.6 39.3 95 101 A R H X S+ 0 0 60 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.860 103.2 54.0 -66.6 -32.3 46.3 24.5 43.0 96 102 A A H X S+ 0 0 41 -4,-1.4 4,-2.0 -3,-0.5 -1,-0.2 0.906 108.7 48.8 -65.8 -41.2 43.0 22.8 43.6 97 103 A N H X S+ 0 0 11 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.937 110.6 49.6 -63.5 -47.9 43.9 20.2 40.9 98 104 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.906 110.1 51.7 -57.6 -43.0 47.4 19.6 42.4 99 105 A D H X S+ 0 0 59 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.885 108.0 51.9 -61.6 -39.9 45.8 19.1 45.9 100 106 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.909 106.1 54.7 -63.0 -43.4 43.4 16.6 44.5 101 107 A F H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.932 110.5 44.6 -56.4 -49.5 46.2 14.6 42.9 102 108 A A H X S+ 0 0 2 -4,-1.9 4,-2.5 1,-0.2 24,-0.3 0.903 111.5 54.0 -63.3 -40.4 48.0 14.3 46.2 103 109 A A H X S+ 0 0 29 -4,-2.2 4,-3.6 1,-0.2 -1,-0.2 0.884 105.5 54.5 -60.4 -40.2 44.7 13.4 48.0 104 110 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.930 108.4 47.2 -59.5 -47.4 44.2 10.6 45.5 105 111 A I H X S+ 0 0 4 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.920 114.8 47.5 -60.0 -44.7 47.6 9.2 46.3 106 112 A N H X S+ 0 0 37 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.947 110.0 52.7 -61.8 -48.6 46.9 9.5 50.0 107 113 A A H X S+ 0 0 21 -4,-3.6 4,-2.1 1,-0.2 5,-0.2 0.902 107.0 51.3 -54.8 -47.0 43.4 7.9 49.5 108 114 A Y H X S+ 0 0 5 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.920 110.8 48.3 -58.2 -44.9 44.7 4.9 47.7 109 115 A A H < S+ 0 0 9 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.816 109.7 54.4 -65.2 -30.9 47.3 4.2 50.5 110 116 A Q H < S+ 0 0 161 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.879 114.6 38.4 -70.6 -38.8 44.6 4.6 53.1 111 117 A Q H < S+ 0 0 135 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.627 128.7 33.0 -87.2 -13.9 42.3 2.0 51.5 112 118 A N >< + 0 0 40 -4,-1.5 3,-1.9 -5,-0.2 -1,-0.2 -0.347 61.9 155.2-140.0 56.8 45.2 -0.3 50.6 113 119 A P G > S+ 0 0 76 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.754 71.9 66.7 -56.7 -24.7 48.0 -0.1 53.2 114 120 A D G 3 S+ 0 0 121 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.747 92.0 61.3 -70.1 -22.6 49.2 -3.6 52.3 115 121 A D G < S+ 0 0 66 -3,-1.9 2,-0.6 -6,-0.1 -1,-0.3 0.333 87.9 90.2 -85.6 8.3 50.3 -2.4 48.9 116 122 A I S < S- 0 0 6 -3,-1.3 5,-0.1 -4,-0.1 517,-0.0 -0.917 81.8-121.4-112.1 121.4 52.8 0.0 50.3 117 123 A S > - 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0 0 57 -2,-0.3 3,-3.2 -3,-0.1 4,-0.2 -0.991 37.8 -85.5-155.2 160.8 70.4 27.8 9.6 411 427 B P G > S+ 0 0 18 0, 0.0 3,-1.7 0, 0.0 8,-0.1 0.738 117.6 64.8 -33.9 -43.1 72.9 28.2 12.4 412 428 B A G 3 S+ 0 0 90 1,-0.3 4,-0.1 4,-0.0 -3,-0.0 0.665 89.9 68.2 -61.9 -17.1 73.8 31.8 11.5 413 429 B N G < S+ 0 0 103 -3,-3.2 -1,-0.3 2,-0.1 0, 0.0 0.493 101.3 47.0 -82.4 -3.8 70.3 32.9 12.3 414 430 B H S < S- 0 0 36 -3,-1.7 -32,-0.1 -4,-0.2 -33,-0.0 -0.942 98.6 -84.1-136.8 156.4 70.6 32.3 16.1 415 431 B P > - 0 0 50 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.327 42.6-119.8 -59.7 142.5 73.2 33.1 18.8 416 432 B S T 3 S+ 0 0 59 1,-0.3 -59,-2.0 2,-0.1 5,-0.1 0.476 104.7 67.0 -65.0 -2.9 76.0 30.5 18.9 417 433 B Y T 3 S+ 0 0 14 -61,-0.3 -190,-0.3 -60,-0.1 -1,-0.3 0.473 81.3 77.5 -98.4 -0.1 75.3 29.5 22.5 418 434 B L S < S- 0 0 3 -3,-1.6 -191,-0.5 1,-0.2 -2,-0.1 0.984 105.7 -4.3 -71.7 -58.5 71.8 28.0 21.9 419 435 B A S S- 0 0 4 -4,-0.4 -62,-0.3 -193,-0.1 -1,-0.2 -0.880 75.5-100.0-133.9 164.2 72.7 24.6 20.4 420 436 B P - 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0 0 58 1,-0.2 4,-1.6 2,-0.1 3,-1.2 -0.482 64.7-154.2 -66.1 108.0 95.2 -14.3 9.1 475 491 B P H 3> S+ 0 0 92 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.719 93.7 56.9 -54.9 -24.7 92.7 -16.8 7.7 476 492 B E H 3> S+ 0 0 68 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.830 103.8 52.1 -76.8 -32.8 90.3 -15.9 10.5 477 493 B V H <> S+ 0 0 0 -3,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.874 110.2 50.1 -68.5 -36.9 90.4 -12.3 9.6 478 494 B Q H X S+ 0 0 51 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.921 110.0 48.5 -66.6 -45.6 89.5 -13.3 6.0 479 495 B A H X S+ 0 0 49 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.892 111.0 52.1 -61.6 -39.7 86.6 -15.5 7.2 480 496 B A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.918 107.3 52.9 -62.8 -42.5 85.4 -12.6 9.3 481 497 B A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.871 110.1 47.0 -61.4 -38.2 85.5 -10.3 6.3 482 498 B R H X S+ 0 0 156 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.881 110.2 53.4 -72.8 -35.5 83.4 -12.7 4.2 483 499 B L H < S+ 0 0 39 -4,-2.2 3,-0.4 2,-0.2 4,-0.4 0.945 113.1 42.9 -61.7 -49.4 80.9 -13.0 7.1 484 500 B L H >< S+ 0 0 1 -4,-2.5 3,-1.6 1,-0.2 5,-0.2 0.925 111.2 54.8 -62.8 -46.6 80.5 -9.2 7.3 485 501 B A H 3< S+ 0 0 52 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.730 105.4 53.7 -61.8 -23.0 80.3 -8.8 3.5 486 502 B A T 3< S+ 0 0 89 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.529 86.4 108.7 -89.7 -6.2 77.5 -11.3 3.3 487 503 B W < - 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