==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-MAR-12 4E57 . COMPND 2 MOLECULE: CEPHALOSPORIN ACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR J.YIN,Z.ZHANG,G.WU,X.HUANG . 1354 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48969.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 849 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 243 17.9 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 . 10 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 . 78 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 122 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 322 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 6 0 2 4 4 2 4 2 2 0 2 0 0 0 2 2 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 4 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 . 8 7 14 8 4 4 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 3 2 0 0 0 2 0 1 0 0 1 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 9 A Q 0 0 212 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -80.6 40.2 19.4 -85.6 2 10 A A - 0 0 65 1,-0.1 3,-0.1 620,-0.0 620,-0.0 -0.540 360.0-102.5 -80.7 152.9 40.6 19.1 -81.8 3 11 A P - 0 0 59 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.242 52.5 -75.0 -68.7 167.0 38.9 21.8 -79.6 4 12 A I - 0 0 60 1,-0.1 215,-0.1 215,-0.1 2,-0.0 -0.196 66.4 -79.2 -58.8 153.7 41.0 24.6 -78.0 5 13 A A - 0 0 98 1,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.322 50.4-115.8 -59.5 132.4 43.2 23.6 -75.0 6 14 A A - 0 0 67 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.448 27.1-115.2 -70.3 140.7 41.3 23.3 -71.8 7 15 A Y - 0 0 75 -2,-0.1 -1,-0.1 190,-0.1 190,-0.1 -0.584 21.8-151.0 -75.3 138.4 42.3 25.8 -69.0 8 16 A K - 0 0 121 -2,-0.3 19,-0.1 191,-0.1 17,-0.0 -0.874 13.9-139.1-115.0 96.9 43.8 24.2 -65.9 9 17 A P - 0 0 9 0, 0.0 3,-0.1 0, 0.0 17,-0.0 -0.287 17.3-173.1 -56.5 132.2 43.0 26.3 -62.8 10 18 A R S S+ 0 0 223 1,-0.1 2,-0.3 188,-0.0 17,-0.1 0.464 71.7 26.1-104.2 -7.9 45.9 26.6 -60.4 11 19 A S S S- 0 0 61 2,-0.1 2,-0.6 15,-0.0 -1,-0.1 -0.973 84.2-104.0-147.6 162.8 43.9 28.3 -57.7 12 20 A N + 0 0 22 663,-0.3 663,-2.2 -2,-0.3 2,-0.3 -0.806 58.5 138.0 -91.1 118.3 40.3 28.7 -56.5 13 21 A E E -AB 25 674A 30 12,-2.0 12,-3.3 -2,-0.6 2,-0.5 -0.994 45.7-137.6-157.4 148.5 38.8 32.0 -57.5 14 22 A I E -AB 24 673A 0 659,-2.2 659,-2.8 -2,-0.3 2,-0.6 -0.974 15.7-162.5-107.8 128.1 35.7 33.6 -58.9 15 23 A L E -AB 23 672A 0 8,-2.9 8,-1.7 -2,-0.5 2,-0.4 -0.952 11.5-158.7-107.9 112.0 36.2 36.3 -61.5 16 24 A W E -AB 22 671A 0 655,-2.7 654,-3.7 -2,-0.6 655,-1.6 -0.781 5.4-148.9 -93.3 130.7 33.0 38.4 -61.8 17 25 A D > - 0 0 10 4,-2.0 3,-1.6 -2,-0.4 652,-0.1 -0.191 37.7 -83.0 -87.9-174.4 32.4 40.3 -65.0 18 26 A G T 3 S+ 0 0 40 650,-0.4 651,-0.1 1,-0.3 -1,-0.1 0.497 126.2 51.3 -71.8 -6.1 30.6 43.7 -65.5 19 27 A Y T 3 S- 0 0 62 2,-0.1 615,-0.5 614,-0.0 -1,-0.3 0.259 120.8-100.4-110.9 10.4 27.1 42.1 -65.6 20 28 A G S < S+ 0 0 2 -3,-1.6 -2,-0.1 1,-0.3 172,-0.1 0.721 71.3 149.6 77.6 22.8 27.5 40.1 -62.3 21 29 A V - 0 0 0 172,-0.1 -4,-2.0 170,-0.0 2,-0.4 -0.795 40.8-137.6 -87.1 121.7 28.3 36.8 -64.1 22 30 A P E -A 16 0A 0 0, 0.0 172,-1.8 0, 0.0 2,-0.7 -0.686 11.1-161.2 -82.5 130.2 30.6 34.6 -61.9 23 31 A H E -Ac 15 194A 1 -8,-1.7 -8,-2.9 -2,-0.4 2,-0.6 -0.932 19.6-160.6-106.5 103.3 33.4 32.8 -63.6 24 32 A I E -Ac 14 195A 0 170,-3.6 172,-2.7 -2,-0.7 2,-0.5 -0.779 9.3-169.6 -97.8 118.3 34.2 30.1 -61.1 25 33 A Y E +Ac 13 196A 2 -12,-3.3 -12,-2.0 -2,-0.6 2,-0.4 -0.933 8.6 177.5-110.7 124.8 37.6 28.4 -61.2 26 34 A G - 0 0 0 170,-2.9 -14,-0.1 -2,-0.5 3,-0.1 -0.964 34.8-141.4-126.8 145.0 38.3 25.4 -59.1 27 35 A V S S+ 0 0 55 -2,-0.4 2,-0.3 170,-0.2 170,-0.1 0.633 94.0 6.6 -76.2 -14.8 41.3 23.1 -58.8 28 36 A D S > S- 0 0 72 168,-0.1 4,-1.7 1,-0.1 5,-0.2 -0.923 91.4 -88.7-153.8 175.7 38.8 20.2 -58.5 29 37 A A H > S+ 0 0 27 -2,-0.3 4,-2.4 1,-0.2 3,-0.3 0.941 121.0 49.7 -61.0 -52.6 35.1 19.5 -58.7 30 38 A P H > S+ 0 0 32 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.895 109.0 55.2 -55.2 -39.3 34.1 20.2 -55.0 31 39 A S H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.903 109.2 46.0 -57.4 -45.1 36.0 23.5 -55.2 32 40 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 -3,-0.3 -1,-0.2 0.898 111.9 51.1 -66.8 -40.1 34.0 24.6 -58.2 33 41 A F H X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.878 109.7 51.1 -63.7 -37.6 30.7 23.6 -56.6 34 42 A Y H X S+ 0 0 27 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.929 110.4 48.1 -62.3 -48.4 31.7 25.5 -53.5 35 43 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.877 110.8 52.4 -59.0 -39.1 32.4 28.6 -55.6 36 44 A Y H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.869 109.8 47.9 -65.3 -40.8 29.1 28.1 -57.4 37 45 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.907 112.7 49.2 -65.2 -45.1 27.2 28.0 -54.0 38 46 A W H X S+ 0 0 29 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.906 112.6 47.9 -56.2 -47.0 29.1 31.1 -52.9 39 47 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.922 111.1 49.3 -65.2 -46.1 28.2 32.9 -56.1 40 48 A Q H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.863 110.5 51.9 -61.8 -37.1 24.5 31.9 -56.0 41 49 A A H X S+ 0 0 3 -4,-2.1 4,-1.7 3,-0.2 -1,-0.2 0.909 110.3 48.7 -65.3 -43.1 24.3 33.1 -52.4 42 50 A R H < S+ 0 0 82 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.919 122.4 32.8 -58.7 -45.5 25.8 36.5 -53.4 43 51 A S H < S+ 0 0 5 -4,-2.3 593,-1.8 1,-0.1 594,-0.9 0.773 142.6 6.0 -88.5 -29.4 23.4 36.9 -56.3 44 52 A H H X S+ 0 0 4 -4,-2.8 4,-2.2 -5,-0.2 3,-0.2 0.096 80.7 133.3-145.2 22.7 20.2 35.2 -55.0 45 53 A G H X + 0 0 2 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.818 69.8 53.4 -52.8 -45.6 20.8 34.2 -51.4 46 54 A D H > S+ 0 0 21 -5,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.946 114.9 39.3 -58.3 -52.5 17.6 35.5 -49.8 47 55 A N H > S+ 0 0 46 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.840 114.5 54.1 -69.6 -34.2 15.3 33.6 -52.2 48 56 A I H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.937 110.5 46.4 -62.4 -46.8 17.5 30.5 -52.3 49 57 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.897 111.9 51.7 -63.3 -40.6 17.4 30.3 -48.5 50 58 A R H X S+ 0 0 51 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.949 112.3 45.3 -59.2 -49.9 13.6 30.9 -48.5 51 59 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.884 111.5 51.8 -63.4 -41.2 13.1 28.1 -51.0 52 60 A Y H X S+ 0 0 0 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.903 108.4 52.8 -62.5 -41.0 15.4 25.7 -49.2 53 61 A G H <>S+ 0 0 0 -4,-2.3 5,-1.9 1,-0.2 3,-0.3 0.897 110.6 47.3 -58.3 -43.2 13.4 26.4 -46.0 54 62 A E H ><5S+ 0 0 14 -4,-2.0 3,-2.4 1,-0.2 5,-0.4 0.921 106.9 55.8 -63.4 -46.0 10.2 25.5 -47.8 55 63 A A H 3<5S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.681 100.1 61.4 -64.2 -18.7 11.7 22.3 -49.3 56 64 A R T 3<5S- 0 0 51 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.555 118.5-114.8 -75.1 -12.3 12.5 21.3 -45.7 57 65 A G T < 5S+ 0 0 6 -3,-2.4 -3,-0.2 -4,-0.2 4,-0.2 0.672 90.0 112.7 80.1 20.8 8.8 21.4 -45.0 58 66 A K >< + 0 0 79 -5,-1.9 4,-2.7 -6,-0.2 5,-0.3 0.171 30.5 107.0-114.8 18.0 9.4 24.3 -42.6 59 67 A G H > S+ 0 0 0 -5,-0.4 4,-2.8 1,-0.2 5,-0.5 0.939 84.6 47.2 -58.3 -50.7 7.7 27.2 -44.4 60 68 A A H > S+ 0 0 0 7,-0.5 204,-2.6 1,-0.2 4,-1.6 0.893 114.4 48.7 -56.8 -42.2 4.9 27.2 -42.0 61 69 A E H 4 S+ 0 0 52 202,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.898 119.5 34.9 -67.1 -44.1 7.3 27.1 -39.1 62 70 A Y H < S+ 0 0 17 -4,-2.7 -2,-0.2 200,-0.1 -1,-0.2 0.855 136.3 15.1 -80.9 -36.9 9.6 29.8 -40.3 63 71 A W H < S- 0 0 19 -4,-2.8 3,-0.4 -5,-0.3 -3,-0.2 0.353 94.7-135.1-130.2 3.3 7.2 32.2 -41.9 64 72 A G >< - 0 0 2 -4,-1.6 3,-2.3 -5,-0.5 4,-0.4 -0.255 59.1 -6.6 83.3-161.6 3.6 31.4 -40.8 65 73 A P G >> S+ 0 0 84 0, 0.0 3,-1.0 0, 0.0 4,-0.5 0.681 119.2 65.1 -49.3 -36.8 0.2 31.0 -42.6 66 74 A D G 34 S+ 0 0 150 -3,-0.4 4,-0.2 1,-0.2 -2,-0.1 0.685 111.0 38.2 -61.8 -19.2 1.3 32.2 -46.1 67 75 A Y G <> S+ 0 0 57 -3,-2.3 4,-1.9 -8,-0.2 -7,-0.5 0.408 91.2 92.6-112.1 -1.2 3.6 29.2 -46.4 68 76 A E H <> S+ 0 0 34 -3,-1.0 4,-2.7 -4,-0.4 5,-0.2 0.827 80.1 55.9 -67.0 -38.4 1.3 26.6 -44.7 69 77 A Q H X S+ 0 0 165 -4,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.935 110.9 45.0 -61.7 -47.6 -0.4 25.3 -47.9 70 78 A T H > S+ 0 0 35 2,-0.2 4,-2.7 -4,-0.2 5,-0.2 0.887 111.8 53.9 -60.7 -41.0 3.0 24.5 -49.4 71 79 A T H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.944 110.4 45.4 -58.2 -49.8 4.2 22.9 -46.1 72 80 A V H X S+ 0 0 42 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.915 113.5 51.1 -61.6 -44.3 1.1 20.6 -46.1 73 81 A W H X S+ 0 0 31 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.914 114.1 42.3 -58.3 -47.9 1.6 19.7 -49.8 74 82 A L H <>S+ 0 0 0 -4,-2.7 5,-2.6 2,-0.2 -2,-0.2 0.880 115.8 48.3 -72.3 -38.5 5.2 18.8 -49.4 75 83 A L H ><5S+ 0 0 34 -4,-2.7 3,-1.4 -5,-0.2 -2,-0.2 0.896 109.5 52.6 -66.9 -41.2 4.8 16.9 -46.1 76 84 A T H 3<5S+ 0 0 10 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.869 112.1 46.5 -62.9 -35.8 1.8 14.9 -47.5 77 85 A N T 3<5S- 0 0 6 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.283 112.3-122.4 -89.9 8.0 4.0 13.9 -50.5 78 86 A G T <>5 + 0 0 6 -3,-1.4 4,-2.4 1,-0.1 5,-0.2 0.743 58.1 151.5 61.2 29.3 6.9 13.0 -48.2 79 87 A V H >< + 0 0 0 -5,-2.6 4,-2.3 2,-0.2 5,-0.2 0.921 65.3 45.7 -60.8 -52.8 9.3 15.5 -49.9 80 88 A P H > S+ 0 0 23 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.912 116.9 45.3 -62.1 -41.9 11.7 16.4 -47.1 81 89 A E H > S+ 0 0 85 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.908 112.7 49.8 -64.8 -45.0 12.1 12.8 -46.0 82 90 A R H X S+ 0 0 26 -4,-2.4 4,-3.4 1,-0.2 5,-0.2 0.868 106.6 57.4 -63.5 -35.5 12.6 11.5 -49.6 83 91 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.899 104.9 50.1 -59.5 -43.1 15.2 14.2 -50.1 84 92 A Q H X S+ 0 0 80 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.877 112.9 47.9 -60.1 -39.6 17.2 12.9 -47.2 85 93 A Q H X S+ 0 0 13 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.965 111.7 48.3 -65.3 -53.0 16.9 9.4 -48.8 86 94 A W H < S+ 0 0 9 -4,-3.4 4,-0.2 1,-0.2 -2,-0.2 0.851 110.1 53.6 -55.0 -40.6 18.0 10.7 -52.2 87 95 A Y H >< S+ 0 0 51 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.927 110.3 45.0 -60.4 -49.3 20.9 12.5 -50.6 88 96 A A H 3< S+ 0 0 44 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.813 109.4 59.1 -63.3 -29.4 22.2 9.3 -48.9 89 97 A Q T 3< S+ 0 0 18 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.433 83.3 111.1 -82.7 -1.5 21.6 7.5 -52.2 90 98 A Q S < S- 0 0 12 -3,-1.3 215,-0.1 -4,-0.2 -3,-0.0 -0.364 81.1 -99.7 -67.5 150.9 24.0 9.8 -54.1 91 99 A S > - 0 0 39 1,-0.1 4,-2.9 -2,-0.1 5,-0.2 -0.433 36.1-115.4 -61.4 147.2 27.3 8.5 -55.4 92 100 A P H > S+ 0 0 96 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.896 114.7 52.0 -56.5 -42.0 30.1 9.5 -53.0 93 101 A D H > S+ 0 0 132 1,-0.2 4,-1.0 2,-0.2 -3,-0.0 0.927 114.8 40.8 -58.8 -48.0 31.8 11.7 -55.7 94 102 A F H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.868 110.0 57.1 -74.4 -35.9 28.6 13.6 -56.4 95 103 A R H X S+ 0 0 60 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.880 103.2 56.4 -58.0 -38.5 27.5 13.9 -52.8 96 104 A A H X S+ 0 0 41 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.851 106.3 50.1 -61.8 -35.4 30.8 15.6 -52.1 97 105 A N H X S+ 0 0 8 -4,-1.0 4,-2.3 -3,-0.3 -2,-0.2 0.897 110.5 49.1 -66.7 -43.0 29.9 18.2 -54.8 98 106 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.894 111.1 49.6 -62.7 -43.0 26.5 18.7 -53.2 99 107 A D H X S+ 0 0 61 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.894 110.9 50.4 -61.0 -42.6 28.1 19.2 -49.8 100 108 A A H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.895 108.4 51.9 -63.7 -42.2 30.6 21.7 -51.3 101 109 A F H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.939 113.0 44.3 -58.8 -49.8 27.8 23.7 -52.9 102 110 A A H X S+ 0 0 2 -4,-2.1 4,-2.5 1,-0.2 24,-0.3 0.900 111.3 54.5 -60.7 -42.9 25.9 23.9 -49.6 103 111 A A H X S+ 0 0 33 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.845 105.2 54.4 -60.1 -35.9 29.2 24.8 -47.8 104 112 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.895 108.8 47.3 -64.6 -42.7 29.7 27.6 -50.3 105 113 A I H X S+ 0 0 3 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.943 113.8 48.0 -61.6 -49.6 26.3 29.1 -49.4 106 114 A N H X S+ 0 0 43 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.897 112.1 49.1 -58.0 -43.8 27.0 28.8 -45.7 107 115 A A H X S+ 0 0 25 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.881 108.5 53.0 -67.5 -39.3 30.4 30.4 -46.1 108 116 A Y H X S+ 0 0 11 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.956 112.7 44.8 -58.6 -49.3 29.1 33.3 -48.1 109 117 A A H < S+ 0 0 8 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.889 112.3 52.0 -61.2 -43.1 26.5 33.9 -45.3 110 118 A Q H < S+ 0 0 160 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.896 116.2 39.7 -59.7 -43.9 29.1 33.5 -42.6 111 119 A Q H < S+ 0 0 136 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.739 127.9 33.5 -78.9 -24.3 31.5 36.0 -44.2 112 120 A N >< + 0 0 38 -4,-2.0 3,-1.9 -5,-0.2 4,-0.3 -0.452 63.5 155.0-132.1 60.3 28.6 38.4 -45.3 113 121 A P G > S+ 0 0 77 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.801 72.0 65.3 -63.5 -27.5 25.9 38.3 -42.6 114 122 A D G 3 S+ 0 0 124 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.682 95.7 59.0 -65.4 -18.2 24.7 41.8 -43.5 115 123 A D G < S+ 0 0 57 -3,-1.9 2,-0.6 -6,-0.2 -1,-0.2 0.511 87.4 88.3 -88.3 -7.0 23.6 40.5 -47.0 116 124 A I S < S- 0 0 5 -3,-1.4 5,-0.1 -4,-0.3 -75,-0.0 -0.849 83.4-121.8 -99.4 120.3 21.2 37.9 -45.5 117 125 A S >> - 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