==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-SEP-09 3JTR . COMPND 2 MOLECULE: GLUTARYL 7-AMINOCEPHALOSPORANIC ACID ACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR K.J.CHO,J.K.KIM,J.H.LEE,H.J.SHIN,S.S.PARK,K.H.KIM . 680 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25728.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 434 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 119 17.5 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 . 1 0.1 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 . 44 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 23.8 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 1 4 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 . 4 3 6 5 3 2 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 . 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 6 A P 0 0 190 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.3 40.0 -51.9 -104.0 2 7 A Q - 0 0 137 2,-0.0 0, 0.0 1,-0.0 0, 0.0 0.965 360.0-137.0 74.8 95.2 40.6 -55.3 -105.8 3 8 A A - 0 0 79 1,-0.1 3,-0.1 621,-0.0 -1,-0.0 -0.371 25.1 -99.7 -78.4 153.5 40.5 -55.4 -109.6 4 9 A P - 0 0 57 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.246 56.6 -78.6 -65.7 163.3 38.7 -58.0 -111.8 5 10 A I - 0 0 64 1,-0.1 216,-0.1 216,-0.1 0, 0.0 -0.150 65.5 -76.8 -57.6 158.3 40.9 -60.7 -113.2 6 11 A A - 0 0 94 -3,-0.1 -1,-0.1 1,-0.1 2,-0.0 -0.294 48.5-117.9 -58.7 138.2 43.0 -59.8 -116.3 7 12 A A - 0 0 68 -3,-0.1 2,-0.4 193,-0.1 -1,-0.1 -0.317 30.5-110.5 -66.3 159.9 41.0 -59.7 -119.6 8 13 A Y - 0 0 78 191,-0.2 -1,-0.1 -2,-0.0 191,-0.1 -0.798 22.4-144.9 -92.4 139.9 42.1 -62.2 -122.2 9 14 A K - 0 0 122 -2,-0.4 2,-0.2 192,-0.1 19,-0.1 -0.861 14.0-142.0-106.6 100.3 43.8 -60.7 -125.3 10 15 A P - 0 0 8 0, 0.0 3,-0.1 0, 0.0 17,-0.0 -0.424 17.2-174.5 -61.7 125.7 42.8 -62.7 -128.4 11 16 A R + 0 0 226 -2,-0.2 2,-0.3 1,-0.1 17,-0.1 0.471 69.3 21.9 -98.8 -5.8 45.8 -63.0 -130.7 12 17 A S S S- 0 0 64 2,-0.1 2,-0.7 15,-0.0 -1,-0.1 -0.982 85.1 -99.2-151.9 163.9 43.9 -64.8 -133.5 13 18 A N + 0 0 25 -2,-0.3 664,-2.0 664,-0.3 2,-0.3 -0.743 58.7 139.6 -88.2 112.7 40.3 -65.2 -134.8 14 19 A E E -AB 26 676A 26 12,-2.0 12,-3.0 -2,-0.7 2,-0.6 -0.999 45.3-139.3-151.4 149.1 38.7 -68.5 -133.7 15 20 A I E -AB 25 675A 0 660,-2.3 660,-2.7 -2,-0.3 2,-0.8 -0.960 15.9-163.4-106.2 119.6 35.6 -70.1 -132.4 16 21 A L E -AB 24 674A 0 8,-3.1 8,-1.8 -2,-0.6 2,-0.4 -0.907 12.9-162.2-100.4 107.5 36.1 -72.7 -129.6 17 22 A W E -AB 23 673A 7 656,-3.2 655,-3.0 -2,-0.8 656,-1.6 -0.750 4.8-147.8 -90.5 135.5 32.9 -74.7 -129.5 18 23 A D > - 0 0 14 4,-1.8 3,-1.7 -2,-0.4 653,-0.2 -0.266 37.2 -81.7 -93.2-174.5 32.2 -76.8 -126.3 19 24 A G T 3 S+ 0 0 40 651,-0.5 652,-0.1 1,-0.3 -1,-0.0 0.683 127.3 50.8 -60.9 -24.4 30.4 -80.2 -125.9 20 25 A Y T 3 S- 0 0 63 2,-0.1 616,-0.5 615,-0.0 -1,-0.3 0.372 121.0-102.9 -98.3 4.6 26.9 -78.6 -125.9 21 26 A G < + 0 0 5 -3,-1.7 -2,-0.1 1,-0.3 173,-0.1 0.782 68.8 152.2 78.1 29.0 27.5 -76.5 -129.1 22 27 A V - 0 0 0 171,-0.1 -4,-1.8 173,-0.1 2,-0.4 -0.852 39.9-136.6 -89.5 115.3 28.1 -73.3 -127.3 23 28 A P E -A 17 0A 0 0, 0.0 173,-1.6 0, 0.0 2,-0.7 -0.607 11.6-160.7 -77.7 123.6 30.4 -71.1 -129.4 24 29 A H E -Ac 16 196A 2 -8,-1.8 -8,-3.1 -2,-0.4 2,-0.6 -0.926 18.8-158.7 -99.1 108.9 33.2 -69.2 -127.6 25 30 A I E -Ac 15 197A 0 171,-3.9 173,-2.8 -2,-0.7 2,-0.5 -0.833 11.9-173.0-102.2 115.2 34.1 -66.5 -130.1 26 31 A Y E +Ac 14 198A 1 -12,-3.0 -12,-2.0 -2,-0.6 2,-0.4 -0.933 9.2 173.6-108.0 117.7 37.6 -64.9 -130.0 27 32 A G - 0 0 0 171,-2.7 -14,-0.1 -2,-0.5 3,-0.1 -0.958 37.1-135.9-120.4 145.9 38.2 -61.9 -132.3 28 33 A V S S+ 0 0 58 -2,-0.4 2,-0.3 171,-0.2 171,-0.1 0.557 93.2 5.6 -72.4 -8.9 41.3 -59.6 -132.4 29 34 A D S >> S- 0 0 72 169,-0.1 4,-2.0 1,-0.1 3,-0.6 -0.967 92.1 -84.4-161.9 173.5 38.8 -56.7 -132.6 30 35 A A H 3> S+ 0 0 26 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.891 121.7 49.3 -55.0 -52.3 35.1 -55.9 -132.6 31 36 A P H 3> S+ 0 0 34 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.835 110.0 54.4 -60.1 -28.1 34.2 -56.6 -136.2 32 37 A S H <> S+ 0 0 3 -3,-0.6 4,-2.9 2,-0.2 -2,-0.2 0.973 108.7 46.3 -66.0 -51.7 36.0 -60.0 -135.9 33 38 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.902 113.2 50.1 -59.6 -40.1 34.0 -61.1 -132.9 34 39 A F H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.882 110.3 49.4 -66.0 -39.9 30.8 -60.0 -134.6 35 40 A Y H X S+ 0 0 24 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.931 111.3 50.1 -59.2 -48.1 31.7 -61.9 -137.8 36 41 A G H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.900 110.2 51.5 -56.5 -42.7 32.4 -64.9 -135.6 37 42 A Y H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.864 110.2 46.5 -65.5 -42.0 29.1 -64.5 -133.9 38 43 A G H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.866 112.1 52.5 -67.4 -37.5 27.1 -64.3 -137.2 39 44 A W H X S+ 0 0 27 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.964 112.4 45.1 -56.9 -51.8 29.1 -67.4 -138.4 40 45 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.892 111.5 50.7 -64.5 -45.1 28.1 -69.3 -135.3 41 46 A Q H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.863 110.9 49.6 -62.1 -36.4 24.5 -68.2 -135.3 42 47 A A H X S+ 0 0 1 -4,-1.9 4,-1.7 3,-0.2 -2,-0.2 0.885 109.7 52.0 -71.4 -36.5 24.2 -69.4 -138.9 43 48 A R H < S+ 0 0 70 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.943 121.5 32.5 -55.9 -45.7 25.8 -72.7 -138.0 44 49 A S H < S+ 0 0 5 -4,-2.3 594,-1.8 1,-0.1 595,-0.5 0.674 142.5 5.2 -91.3 -20.6 23.3 -73.2 -135.2 45 50 A H H X S+ 0 0 2 -4,-2.2 4,-2.3 -5,-0.2 3,-0.5 0.173 77.4 135.7-155.9 13.9 20.1 -71.5 -136.5 46 51 A G H X S+ 0 0 1 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.805 71.3 55.3 -42.6 -47.9 20.8 -70.4 -140.1 47 52 A D H > S+ 0 0 18 69,-0.2 4,-2.3 -5,-0.2 -1,-0.2 0.937 114.5 36.7 -57.7 -52.5 17.5 -71.7 -141.6 48 53 A N H > S+ 0 0 39 -3,-0.5 4,-3.4 2,-0.2 -1,-0.2 0.913 115.9 53.3 -71.4 -43.1 15.2 -69.8 -139.2 49 54 A I H X S+ 0 0 2 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.934 111.9 46.2 -50.7 -52.8 17.4 -66.7 -139.1 50 55 A L H X S+ 0 0 1 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.908 112.8 49.8 -61.6 -43.3 17.4 -66.5 -142.9 51 56 A R H X S+ 0 0 41 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.967 112.5 47.5 -57.5 -52.0 13.7 -67.0 -143.0 52 57 A L H X S+ 0 0 0 -4,-3.4 4,-2.0 1,-0.2 -2,-0.2 0.901 111.7 49.5 -55.8 -47.4 13.2 -64.3 -140.3 53 58 A Y H X S+ 0 0 0 -4,-3.1 4,-1.0 1,-0.2 -1,-0.2 0.880 108.0 54.9 -58.4 -41.4 15.4 -61.8 -142.2 54 59 A G H <>S+ 0 0 0 -4,-2.4 5,-1.9 -5,-0.2 3,-0.3 0.866 108.5 48.9 -59.5 -35.8 13.6 -62.6 -145.4 55 60 A E H ><5S+ 0 0 12 -4,-1.7 3,-2.0 1,-0.2 5,-0.4 0.902 105.1 57.0 -69.6 -40.6 10.4 -61.6 -143.7 56 61 A A H 3<5S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.632 98.5 60.6 -73.2 -15.0 11.8 -58.4 -142.3 57 62 A R T 3<5S- 0 0 45 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.327 119.4-115.1 -77.9 2.1 12.6 -57.3 -145.9 58 63 A G T < 5S+ 0 0 5 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.2 0.770 88.6 117.3 67.2 25.4 8.9 -57.6 -146.4 59 64 A K >< + 0 0 70 -5,-1.9 4,-2.9 -6,-0.2 3,-0.4 0.265 29.4 108.7-110.7 12.5 9.6 -60.4 -148.8 60 65 A G H > S+ 0 0 0 -5,-0.4 4,-3.0 1,-0.3 5,-0.5 0.936 82.0 47.3 -49.6 -55.3 7.8 -63.2 -146.9 61 66 A A H > S+ 0 0 0 7,-0.5 205,-2.8 1,-0.2 4,-1.1 0.802 114.0 48.7 -58.5 -32.0 5.0 -63.4 -149.4 62 67 A E H 4 S+ 0 0 31 -3,-0.4 -1,-0.2 203,-0.3 -2,-0.2 0.915 118.5 36.0 -80.7 -45.2 7.4 -63.4 -152.3 63 68 A Y H < S+ 0 0 16 -4,-2.9 -2,-0.2 1,-0.1 -3,-0.2 0.936 136.5 14.9 -68.8 -47.9 9.7 -66.1 -151.1 64 69 A W H < S- 0 0 19 -4,-3.0 3,-0.4 -5,-0.3 -3,-0.2 0.343 95.6-134.1-123.7 5.2 7.2 -68.4 -149.4 65 70 A G >< - 0 0 2 -4,-1.1 3,-2.6 -5,-0.5 4,-0.4 -0.180 58.2 -8.1 80.2-166.1 3.7 -67.5 -150.4 66 71 A P G > S+ 0 0 82 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.591 120.7 62.3 -48.4 -29.6 0.2 -67.0 -148.7 67 72 A D G 3 S+ 0 0 152 -3,-0.4 4,-0.1 1,-0.2 -2,-0.1 0.604 111.5 42.1 -74.8 -9.4 1.2 -68.2 -145.2 68 73 A Y G <> S+ 0 0 52 -3,-2.6 4,-1.8 -8,-0.1 -7,-0.5 0.497 90.9 90.6-110.7 -6.4 3.7 -65.3 -145.1 69 74 A E H <> S+ 0 0 22 -3,-0.5 4,-2.7 -4,-0.4 5,-0.2 0.773 79.9 55.0 -65.4 -36.0 1.4 -62.7 -146.7 70 75 A Q H > S+ 0 0 122 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.884 109.8 46.8 -73.1 -36.7 -0.2 -61.1 -143.6 71 76 A T H > S+ 0 0 38 2,-0.2 4,-2.9 -3,-0.2 5,-0.3 0.918 111.4 53.2 -66.1 -39.9 3.1 -60.4 -142.0 72 77 A T H X S+ 0 0 2 -4,-1.8 4,-3.0 1,-0.2 5,-0.3 0.969 111.8 44.9 -54.4 -53.0 4.2 -59.0 -145.4 73 78 A V H X S+ 0 0 29 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.849 113.4 50.8 -61.2 -39.8 1.2 -56.7 -145.4 74 79 A W H X S+ 0 0 4 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.942 115.7 40.8 -62.6 -46.9 1.7 -55.7 -141.7 75 80 A L H <>S+ 0 0 0 -4,-2.9 5,-2.2 2,-0.2 -2,-0.2 0.878 115.4 47.3 -77.5 -38.5 5.4 -54.8 -142.2 76 81 A L H ><5S+ 0 0 34 -4,-3.0 3,-1.9 -5,-0.3 -1,-0.2 0.939 112.1 52.0 -63.3 -45.2 5.1 -53.0 -145.6 77 82 A T H 3<5S+ 0 0 11 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.840 111.3 46.5 -62.4 -34.2 2.1 -51.0 -144.3 78 83 A N T 3<5S- 0 0 6 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.229 111.7-125.5 -88.4 12.8 4.2 -50.0 -141.2 79 84 A G T <>5 + 0 0 18 -3,-1.9 4,-2.6 1,-0.1 5,-0.2 0.691 58.9 149.0 49.7 26.9 7.1 -49.1 -143.6 80 85 A V H >< + 0 0 0 -5,-2.2 4,-2.0 2,-0.2 5,-0.2 0.882 62.9 50.3 -55.6 -50.7 9.5 -51.5 -141.6 81 86 A P H > S+ 0 0 21 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.926 116.2 42.7 -61.8 -40.2 11.8 -52.6 -144.4 82 87 A E H > S+ 0 0 131 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.935 111.2 52.7 -71.9 -42.3 12.5 -49.1 -145.5 83 88 A R H X S+ 0 0 41 -4,-2.6 4,-3.6 1,-0.2 -1,-0.2 0.864 106.0 57.8 -57.5 -34.3 12.9 -47.6 -142.0 84 89 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.918 103.0 51.7 -60.2 -45.8 15.4 -50.4 -141.4 85 90 A Q H X S+ 0 0 105 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.932 113.8 45.1 -54.5 -44.8 17.4 -49.0 -144.4 86 91 A Q H X S+ 0 0 95 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.964 111.6 50.2 -65.2 -52.6 17.3 -45.6 -142.8 87 92 A W H < S+ 0 0 14 -4,-3.6 -1,-0.2 1,-0.2 -2,-0.2 0.853 109.7 53.5 -52.9 -38.6 18.2 -46.8 -139.3 88 93 A Y H >< S+ 0 0 49 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.951 109.5 46.0 -61.1 -52.0 21.1 -48.7 -140.9 89 94 A A H 3< S+ 0 0 67 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.839 109.7 58.2 -60.7 -31.5 22.4 -45.5 -142.5 90 95 A Q T 3< S+ 0 0 104 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.368 82.1 111.4 -81.9 2.1 21.9 -43.7 -139.2 91 96 A Q S < S- 0 0 12 -3,-1.9 216,-0.1 -5,-0.2 -3,-0.0 -0.412 81.6 -99.3 -71.1 152.7 24.2 -46.0 -137.2 92 97 A S > - 0 0 40 1,-0.1 4,-2.9 -2,-0.1 3,-0.2 -0.504 37.6-115.1 -64.5 146.6 27.5 -44.7 -135.9 93 98 A P H > S+ 0 0 93 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.826 114.4 52.5 -58.1 -38.2 30.3 -45.8 -138.3 94 99 A D H > S+ 0 0 133 2,-0.2 4,-1.2 1,-0.2 -3,-0.0 0.905 114.1 41.8 -62.8 -45.6 31.9 -48.1 -135.6 95 100 A F H > S+ 0 0 3 1,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.858 108.6 59.7 -74.2 -31.8 28.7 -49.9 -134.9 96 101 A R H X S+ 0 0 61 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.880 103.3 53.0 -60.3 -36.8 27.8 -50.0 -138.6 97 102 A A H X S+ 0 0 41 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.868 106.5 52.9 -66.2 -36.9 31.0 -52.0 -139.2 98 103 A N H X S+ 0 0 11 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.938 110.5 47.0 -61.3 -47.9 30.0 -54.5 -136.5 99 104 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.868 111.7 50.7 -61.9 -36.6 26.6 -55.0 -138.2 100 105 A D H X S+ 0 0 62 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.884 110.3 50.0 -67.4 -37.3 28.3 -55.5 -141.6 101 106 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.896 108.5 52.3 -65.5 -41.2 30.7 -58.0 -140.0 102 107 A F H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.959 111.8 45.4 -64.1 -48.9 27.8 -59.9 -138.5 103 108 A A H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 24,-0.3 0.873 111.7 53.8 -58.4 -38.6 26.0 -60.1 -141.9 104 109 A A H X S+ 0 0 27 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.912 106.2 51.9 -63.9 -42.5 29.3 -61.1 -143.5 105 110 A G H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.898 109.8 49.1 -59.5 -44.1 29.7 -64.0 -141.0 106 111 A I H X S+ 0 0 2 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.925 113.9 46.3 -59.1 -48.5 26.3 -65.3 -141.8 107 112 A N H X S+ 0 0 39 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.836 111.8 51.1 -62.3 -37.3 27.0 -65.1 -145.5 108 113 A A H X S+ 0 0 22 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.824 107.1 52.1 -76.7 -33.3 30.4 -66.7 -145.2 109 114 A Y H X S+ 0 0 7 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.962 110.9 48.5 -64.0 -47.3 29.0 -69.7 -143.2 110 115 A A H < S+ 0 0 9 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.767 112.4 50.7 -62.8 -25.1 26.4 -70.2 -145.9 111 116 A Q H < S+ 0 0 156 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.902 114.4 39.6 -77.4 -45.2 29.2 -70.0 -148.5 112 117 A Q H < S+ 0 0 141 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.526 128.7 34.4 -83.4 -8.7 31.6 -72.5 -147.0 113 118 A N >< + 0 0 34 -4,-1.2 3,-1.7 -5,-0.2 4,-0.3 -0.346 63.2 154.6-142.2 54.7 28.7 -74.8 -146.0 114 119 A P G > S+ 0 0 75 0, 0.0 3,-1.5 0, 0.0 -2,-0.1 0.797 71.6 66.5 -61.1 -26.8 26.0 -74.6 -148.7 115 120 A D G 3 S+ 0 0 124 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.796 94.3 60.2 -61.6 -28.5 24.8 -78.1 -147.7 116 121 A D G < S+ 0 0 66 -3,-1.7 2,-0.6 -6,-0.1 -1,-0.2 0.469 87.1 88.3 -78.9 -2.6 23.6 -76.8 -144.3 117 122 A I S < S- 0 0 4 -3,-1.5 5,-0.1 -4,-0.3 -1,-0.0 -0.878 83.3-120.5-109.2 118.7 21.2 -74.2 -145.8 118 123 A S > - 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