==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JUL-05 2ADV . COMPND 2 MOLECULE: GLUTARYL 7- AMINOCEPHALOSPORANIC ACID ACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR J.K.KIM,I.S.YANG,H.J.SHIN,K.J.CHO,E.K.RYU,S.H.KIM,S.S.PARK,K . 683 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26009.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 427 62.5 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 . 119 17.4 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 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 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 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 0 189 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -35.7 39.7 -52.9 -105.2 2 7 A Q - 0 0 131 2,-0.0 0, 0.0 626,-0.0 0, 0.0 0.876 360.0-130.5 67.0 109.6 40.7 -56.0 -107.2 3 8 A A - 0 0 77 1,-0.1 3,-0.1 625,-0.0 625,-0.0 -0.412 29.1-100.7 -76.1 159.3 40.8 -55.8 -111.0 4 9 A P - 0 0 61 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.159 56.2 -70.7 -68.1 173.9 39.0 -58.5 -113.1 5 10 A I - 0 0 66 1,-0.1 3,-0.1 220,-0.1 220,-0.1 -0.347 67.0 -83.1 -64.7 151.0 41.1 -61.3 -114.7 6 11 A A - 0 0 95 1,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.338 50.4-114.8 -54.5 128.9 43.2 -60.2 -117.6 7 12 A A - 0 0 73 -3,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.416 30.3-111.8 -65.5 142.0 41.2 -60.1 -120.8 8 13 A Y - 0 0 85 195,-0.1 195,-0.1 -2,-0.1 -1,-0.1 -0.580 23.5-148.5 -74.5 141.9 42.2 -62.6 -123.5 9 14 A K - 0 0 118 -2,-0.2 19,-0.1 196,-0.1 2,-0.0 -0.891 13.9-140.3-116.3 96.7 43.8 -61.1 -126.6 10 15 A P - 0 0 10 0, 0.0 3,-0.1 0, 0.0 17,-0.0 -0.348 19.9-177.6 -59.8 135.5 43.0 -63.2 -129.7 11 16 A R S S+ 0 0 236 1,-0.2 2,-0.3 -2,-0.0 17,-0.1 0.516 70.6 30.7-107.5 -17.9 45.9 -63.5 -132.2 12 17 A S S S- 0 0 61 2,-0.1 2,-0.6 15,-0.1 -1,-0.2 -0.975 82.2-111.5-139.1 157.2 44.0 -65.5 -134.8 13 18 A N + 0 0 25 668,-0.3 668,-1.7 -2,-0.3 2,-0.3 -0.791 55.9 136.5 -88.9 119.9 40.4 -65.8 -136.0 14 19 A E E -AB 26 680A 24 12,-1.7 12,-2.7 -2,-0.6 2,-0.6 -0.992 48.0-132.9-159.9 147.6 38.8 -69.1 -135.1 15 20 A I E -AB 25 679A 0 664,-1.9 664,-2.7 -2,-0.3 2,-0.7 -0.960 16.9-162.9-102.6 120.6 35.6 -70.7 -133.7 16 21 A L E -AB 24 678A 0 8,-2.7 8,-1.8 -2,-0.6 2,-0.4 -0.926 13.2-161.9 -96.5 107.2 36.2 -73.3 -130.9 17 22 A W E -AB 23 677A 9 660,-2.7 659,-2.7 -2,-0.7 660,-1.3 -0.772 6.0-146.3 -88.7 134.9 33.0 -75.3 -130.7 18 23 A D > - 0 0 13 4,-2.0 3,-1.7 -2,-0.4 657,-0.1 -0.224 36.7 -81.6 -92.1-174.5 32.4 -77.3 -127.6 19 24 A G T 3 S+ 0 0 42 655,-0.4 656,-0.1 1,-0.3 -1,-0.0 0.572 127.2 51.2 -67.4 -13.4 30.7 -80.7 -127.1 20 25 A Y T 3 S- 0 0 59 2,-0.1 620,-0.5 619,-0.0 -1,-0.3 0.273 120.7-102.3-103.0 8.6 27.2 -79.1 -127.0 21 26 A G S < S+ 0 0 4 -3,-1.7 -2,-0.1 1,-0.3 177,-0.1 0.766 70.8 148.6 74.8 26.3 27.6 -77.1 -130.3 22 27 A V - 0 0 0 177,-0.1 -4,-2.0 175,-0.1 2,-0.4 -0.842 41.9-136.2 -88.9 123.8 28.2 -73.8 -128.6 23 28 A P E -A 17 0A 0 0, 0.0 177,-1.8 0, 0.0 2,-0.7 -0.696 11.3-160.4 -83.7 129.1 30.6 -71.6 -130.6 24 29 A H E -Ac 16 200A 0 -8,-1.8 -8,-2.7 -2,-0.4 2,-0.6 -0.938 20.2-159.4-104.5 104.9 33.4 -69.7 -128.9 25 30 A I E -Ac 15 201A 0 175,-3.5 177,-2.7 -2,-0.7 2,-0.5 -0.818 10.6-170.3-100.5 117.3 34.3 -67.1 -131.5 26 31 A Y E +Ac 14 202A 2 -12,-2.7 -12,-1.7 -2,-0.6 2,-0.4 -0.932 9.0 177.8-108.1 122.6 37.7 -65.4 -131.3 27 32 A G - 0 0 0 175,-2.8 -14,-0.1 -2,-0.5 -15,-0.1 -0.965 34.2-139.7-125.1 142.8 38.2 -62.4 -133.5 28 33 A V S S+ 0 0 55 -2,-0.4 2,-0.3 175,-0.2 175,-0.1 0.575 93.5 6.2 -75.8 -11.8 41.3 -60.2 -133.8 29 34 A D S > S- 0 0 73 173,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.950 91.6 -88.2-156.8 175.6 38.9 -57.2 -134.1 30 35 A A H > S+ 0 0 26 -2,-0.3 4,-2.4 1,-0.2 3,-0.3 0.946 120.4 50.3 -59.6 -54.8 35.2 -56.5 -133.9 31 36 A P H > S+ 0 0 33 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.857 109.4 54.2 -53.8 -34.9 34.2 -57.1 -137.5 32 37 A S H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.925 108.9 47.1 -65.0 -45.1 36.0 -60.5 -137.4 33 38 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 -3,-0.3 -1,-0.2 0.908 112.1 49.9 -61.9 -42.6 34.1 -61.6 -134.3 34 39 A F H X S+ 0 0 1 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.868 110.7 50.5 -66.3 -36.5 30.8 -60.5 -135.9 35 40 A Y H X S+ 0 0 25 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.938 111.0 48.3 -62.2 -49.5 31.7 -62.5 -139.1 36 41 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.883 110.0 53.7 -55.7 -38.9 32.4 -65.6 -137.0 37 42 A Y H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.853 108.9 47.4 -68.9 -37.6 29.1 -65.1 -135.2 38 43 A G H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.864 110.3 52.2 -70.4 -38.8 27.2 -65.0 -138.5 39 44 A W H X S+ 0 0 24 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.962 112.3 46.9 -54.9 -54.7 29.0 -68.1 -139.8 40 45 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.918 111.5 48.8 -56.1 -52.0 28.1 -70.0 -136.5 41 46 A Q H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.879 110.7 52.0 -59.6 -37.7 24.4 -68.9 -136.6 42 47 A A H X S+ 0 0 2 -4,-2.0 4,-1.6 3,-0.2 -1,-0.2 0.888 111.5 47.8 -66.0 -38.9 24.2 -69.9 -140.2 43 48 A R H < S+ 0 0 70 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.919 121.9 33.3 -64.1 -46.7 25.6 -73.3 -139.3 44 49 A S H < S+ 0 0 6 -4,-2.6 598,-2.1 -5,-0.1 599,-0.5 0.777 143.5 6.5 -85.2 -28.4 23.3 -73.9 -136.3 45 50 A H H X S+ 0 0 3 -4,-2.9 4,-2.2 -5,-0.3 3,-0.4 0.128 81.5 134.6-144.6 22.2 20.2 -72.1 -137.6 46 51 A G H X + 0 0 2 -4,-1.6 4,-2.8 1,-0.2 5,-0.2 0.825 69.5 51.5 -49.0 -50.9 20.8 -71.1 -141.2 47 52 A D H > S+ 0 0 25 1,-0.2 4,-2.0 69,-0.2 -1,-0.2 0.912 114.2 40.8 -60.2 -48.5 17.5 -72.2 -142.8 48 53 A N H > S+ 0 0 48 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.822 113.5 55.5 -73.5 -29.6 15.2 -70.4 -140.4 49 54 A I H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.966 109.3 46.9 -61.0 -50.0 17.4 -67.3 -140.3 50 55 A L H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.875 111.9 50.7 -61.2 -38.4 17.2 -67.1 -144.1 51 56 A R H X S+ 0 0 44 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.939 111.7 47.5 -61.3 -48.7 13.5 -67.5 -144.0 52 57 A L H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.901 112.2 48.9 -60.9 -43.9 13.1 -64.7 -141.4 53 58 A Y H X S+ 0 0 0 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.892 109.2 53.9 -64.3 -39.0 15.4 -62.4 -143.4 54 59 A G H <>S+ 0 0 0 -4,-2.2 5,-1.9 -5,-0.2 3,-0.5 0.914 109.5 47.7 -60.3 -43.8 13.4 -63.1 -146.5 55 60 A E H ><5S+ 0 0 8 -4,-2.1 3,-2.0 1,-0.2 5,-0.4 0.893 106.6 56.2 -62.8 -42.1 10.2 -62.2 -144.7 56 61 A A H 3<5S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.690 100.3 60.6 -70.3 -17.4 11.7 -58.9 -143.3 57 62 A R T 3<5S- 0 0 45 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.454 117.8-114.6 -75.1 -8.0 12.5 -57.9 -146.9 58 63 A G T < 5S+ 0 0 6 -3,-2.0 3,-0.2 -5,-0.1 4,-0.2 0.661 90.0 113.7 74.7 18.2 8.8 -58.1 -147.6 59 64 A K >< + 0 0 77 -5,-1.9 4,-2.9 -6,-0.2 5,-0.2 0.252 32.1 106.7-108.9 16.1 9.5 -61.0 -150.0 60 65 A G H > S+ 0 0 0 -5,-0.4 4,-3.0 -6,-0.3 5,-0.4 0.918 83.6 45.4 -58.2 -50.1 7.8 -63.8 -148.1 61 66 A A H > S+ 0 0 0 7,-0.5 209,-2.7 3,-0.2 4,-1.5 0.860 115.8 47.8 -61.4 -37.6 4.9 -64.1 -150.5 62 67 A E H 4 S+ 0 0 35 207,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.918 119.9 37.0 -71.6 -42.8 7.2 -63.9 -153.5 63 68 A Y H < S+ 0 0 20 -4,-2.9 -2,-0.2 205,-0.1 -3,-0.2 0.914 137.0 12.3 -75.7 -41.7 9.6 -66.5 -152.1 64 69 A W H < S- 0 0 27 -4,-3.0 3,-0.4 1,-0.3 -3,-0.2 0.332 95.2-130.4-131.1 -0.2 7.1 -68.9 -150.4 65 70 A G >< - 0 0 3 -4,-1.5 3,-2.2 -5,-0.4 -1,-0.3 -0.283 59.4 -10.5 87.4-164.8 3.5 -68.1 -151.5 66 71 A P G >> S+ 0 0 83 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.665 119.5 64.7 -49.8 -33.3 0.2 -67.6 -149.7 67 72 A D G 34 S+ 0 0 128 -3,-0.4 4,-0.2 1,-0.2 -2,-0.1 0.686 110.3 40.7 -65.7 -17.8 1.1 -68.7 -146.2 68 73 A Y G <> S+ 0 0 22 -3,-2.2 4,-1.5 -8,-0.2 -7,-0.5 0.376 92.4 93.0-107.3 1.7 3.6 -65.8 -146.1 69 74 A E H <> S+ 0 0 22 -3,-1.2 4,-2.2 -4,-0.3 5,-0.2 0.841 79.5 51.3 -71.2 -43.3 1.3 -63.2 -147.7 70 75 A Q H X S+ 0 0 129 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.917 110.9 49.9 -66.8 -39.2 -0.4 -61.6 -144.7 71 76 A T H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 109.5 53.2 -61.4 -37.3 3.0 -61.0 -143.1 72 77 A T H X S+ 0 0 1 -4,-1.5 4,-2.8 2,-0.2 5,-0.3 0.924 109.9 46.4 -62.4 -44.2 4.1 -59.4 -146.4 73 78 A V H X S+ 0 0 24 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.896 112.4 51.5 -65.6 -39.9 1.1 -57.1 -146.5 74 79 A W H X S+ 0 0 7 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.944 115.1 41.0 -61.8 -48.5 1.7 -56.1 -142.8 75 80 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 -2,-0.2 0.892 116.6 46.5 -72.4 -39.8 5.3 -55.3 -143.3 76 81 A L H ><5S+ 0 0 38 -4,-2.8 3,-1.2 -5,-0.2 -1,-0.2 0.911 112.7 50.8 -68.6 -40.8 5.0 -53.5 -146.7 77 82 A T H 3<5S+ 0 0 10 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.882 111.8 47.6 -63.7 -35.6 2.1 -51.5 -145.4 78 83 A N T 3<5S- 0 0 7 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.350 112.5-123.7 -88.9 7.1 4.1 -50.5 -142.3 79 84 A G T <>5 + 0 0 18 -3,-1.2 4,-2.2 -5,-0.1 -3,-0.2 0.742 58.0 151.4 64.0 29.0 7.0 -49.6 -144.6 80 85 A V H >< + 0 0 0 -5,-2.6 4,-2.1 1,-0.2 5,-0.2 0.893 62.7 49.0 -64.6 -50.1 9.4 -52.0 -142.8 81 86 A P H > S+ 0 0 27 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.929 115.8 43.4 -57.4 -47.9 11.8 -53.0 -145.7 82 87 A E H > S+ 0 0 144 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.915 112.1 53.5 -64.3 -43.0 12.5 -49.4 -146.8 83 88 A R H X S+ 0 0 49 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.894 105.8 54.6 -58.3 -37.5 12.8 -48.2 -143.1 84 89 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.877 104.2 53.7 -64.6 -38.0 15.4 -50.8 -142.6 85 90 A Q H X S+ 0 0 108 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.911 111.7 46.8 -59.9 -40.4 17.4 -49.5 -145.5 86 91 A Q H X S+ 0 0 106 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.939 111.3 48.8 -69.9 -42.9 17.3 -46.1 -143.8 87 92 A W H < S+ 0 0 12 -4,-2.9 4,-0.2 1,-0.2 -1,-0.2 0.881 110.5 53.5 -62.3 -37.6 18.2 -47.4 -140.4 88 93 A Y H >< S+ 0 0 51 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.948 109.8 45.3 -62.2 -50.5 21.1 -49.2 -142.0 89 94 A A H 3< S+ 0 0 68 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.826 110.4 57.9 -60.5 -29.9 22.4 -46.0 -143.7 90 95 A Q T 3< S+ 0 0 104 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.396 82.8 111.8 -83.7 -0.9 21.9 -44.2 -140.4 91 96 A Q S < S- 0 0 13 -3,-1.5 220,-0.1 -4,-0.2 -3,-0.0 -0.346 81.8 -99.7 -66.8 154.6 24.2 -46.6 -138.5 92 97 A S > - 0 0 42 1,-0.1 4,-2.6 4,-0.0 3,-0.2 -0.518 38.6-113.0 -66.6 144.1 27.5 -45.3 -137.1 93 98 A P H > S+ 0 0 95 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.856 114.2 50.1 -51.5 -39.4 30.3 -46.3 -139.6 94 99 A D H > S+ 0 0 133 2,-0.2 4,-1.2 1,-0.2 -3,-0.0 0.898 113.1 43.7 -69.5 -42.6 31.9 -48.7 -137.1 95 100 A F H > S+ 0 0 4 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.850 109.1 58.9 -72.2 -31.1 28.7 -50.5 -136.2 96 101 A R H X S+ 0 0 61 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.891 103.3 52.6 -61.2 -38.9 27.7 -50.7 -139.8 97 102 A A H X S+ 0 0 39 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.836 106.7 53.0 -66.8 -33.4 30.9 -52.6 -140.5 98 103 A N H X S+ 0 0 11 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.914 110.5 46.9 -66.0 -41.5 30.0 -55.1 -137.8 99 104 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.863 111.5 51.2 -67.0 -39.0 26.6 -55.6 -139.3 100 105 A D H X S+ 0 0 59 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.867 110.4 49.7 -63.8 -40.0 28.2 -56.1 -142.8 101 106 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.924 108.5 52.5 -66.6 -43.4 30.6 -58.6 -141.3 102 107 A F H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.920 112.1 45.5 -57.0 -47.2 27.8 -60.6 -139.7 103 108 A A H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 24,-0.3 0.905 110.4 54.1 -64.5 -39.1 26.0 -60.8 -143.0 104 109 A A H X S+ 0 0 29 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.832 104.7 55.8 -64.6 -32.5 29.2 -61.7 -144.8 105 110 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.898 107.7 47.8 -65.8 -41.2 29.7 -64.6 -142.3 106 111 A I H X S+ 0 0 3 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.942 113.1 47.8 -61.6 -49.0 26.3 -66.0 -143.1 107 112 A N H X S+ 0 0 41 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.883 112.5 50.1 -61.5 -39.0 26.9 -65.7 -146.9 108 113 A A H X S+ 0 0 19 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.896 107.9 51.2 -70.2 -42.5 30.3 -67.3 -146.4 109 114 A Y H X S+ 0 0 10 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.939 113.8 46.5 -56.1 -45.6 28.9 -70.3 -144.4 110 115 A A H < S+ 0 0 6 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.870 112.2 49.4 -66.8 -37.8 26.4 -70.8 -147.1 111 116 A Q H < S+ 0 0 147 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.885 115.9 42.3 -69.8 -41.0 29.0 -70.5 -149.9 112 117 A Q H < S+ 0 0 133 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.702 128.1 30.6 -77.6 -20.1 31.3 -73.0 -148.3 113 118 A N >< + 0 0 44 -4,-1.7 3,-1.6 -5,-0.2 4,-0.3 -0.461 64.3 154.3-138.6 59.2 28.5 -75.4 -147.2 114 119 A P G > S+ 0 0 74 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.751 70.6 68.4 -65.4 -24.9 25.8 -75.2 -149.8 115 120 A D G 3 S+ 0 0 122 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.785 95.8 57.3 -58.7 -27.5 24.6 -78.8 -149.0 116 121 A D G < S+ 0 0 69 -3,-1.6 2,-0.5 -6,-0.1 -1,-0.2 0.523 89.2 85.6 -87.1 -2.9 23.5 -77.4 -145.6 117 122 A I S < S- 0 0 5 -3,-1.2 5,-0.1 -4,-0.3 -75,-0.0 -0.868 83.9-119.2-104.1 124.9 21.1 -74.7 -147.0 118 123 A S >> - 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