==== 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 2AE4 . 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 . 682 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25698.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 426 62.5 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 . 120 17.6 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 . 35 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 24.0 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 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 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 4 5 4 4 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 0 181 0, 0.0 345,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 90.3 39.7 -53.1 -105.2 2 7 A Q - 0 0 146 1,-0.1 0, 0.0 624,-0.0 0, 0.0 -0.353 360.0-137.4 -56.4 130.7 40.5 -56.5 -106.8 3 8 A A - 0 0 68 1,-0.1 3,-0.1 -2,-0.0 -1,-0.1 -0.529 23.8-101.1 -83.4 160.0 40.7 -56.2 -110.6 4 9 A P - 0 0 60 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.090 51.5 -75.1 -70.2 177.4 39.2 -58.9 -112.9 5 10 A I - 0 0 61 1,-0.1 2,-0.1 218,-0.1 218,-0.1 -0.365 64.1 -80.7 -70.5 157.5 41.2 -61.6 -114.5 6 11 A A - 0 0 97 1,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.393 49.0-118.6 -60.8 129.0 43.4 -60.7 -117.5 7 12 A A - 0 0 63 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.427 27.9-113.1 -66.5 142.5 41.4 -60.5 -120.7 8 13 A Y - 0 0 88 -2,-0.1 -1,-0.1 193,-0.1 193,-0.1 -0.617 22.1-150.7 -77.0 135.8 42.4 -62.9 -123.5 9 14 A K - 0 0 118 -2,-0.3 2,-0.1 194,-0.1 19,-0.1 -0.931 15.6-139.9-109.0 105.9 43.9 -61.3 -126.6 10 15 A P - 0 0 10 0, 0.0 3,-0.1 0, 0.0 17,-0.0 -0.468 19.2-174.8 -64.2 137.4 43.1 -63.5 -129.6 11 16 A R S S+ 0 0 237 1,-0.2 2,-0.3 -2,-0.1 17,-0.1 0.486 70.8 31.2-107.7 -14.7 46.0 -63.8 -132.1 12 17 A S S S- 0 0 58 2,-0.1 2,-0.6 15,-0.1 -1,-0.2 -0.967 81.9-110.9-139.8 159.3 44.0 -65.7 -134.7 13 18 A N + 0 0 26 666,-0.3 666,-1.6 -2,-0.3 2,-0.3 -0.819 56.1 135.8 -90.6 121.5 40.4 -66.0 -135.9 14 19 A E E -AB 26 678A 15 12,-1.8 12,-2.5 -2,-0.6 2,-0.6 -0.979 48.0-132.9-161.6 147.2 38.8 -69.4 -135.0 15 20 A I E -AB 25 677A 0 662,-2.0 662,-2.6 -2,-0.3 2,-0.7 -0.953 16.9-163.4-101.8 120.6 35.7 -70.9 -133.6 16 21 A L E -AB 24 676A 1 8,-2.7 8,-1.6 -2,-0.6 2,-0.3 -0.930 14.1-162.8 -98.6 107.4 36.3 -73.5 -130.9 17 22 A W E -AB 23 675A 8 658,-2.8 657,-2.8 -2,-0.7 658,-1.5 -0.745 5.2-143.9 -90.0 142.0 33.1 -75.4 -130.6 18 23 A D E > - B 0 673A 17 4,-2.0 3,-1.7 -2,-0.3 655,-0.1 -0.310 35.8 -84.8 -95.8-176.9 32.4 -77.5 -127.5 19 24 A G T 3 S+ 0 0 40 653,-0.5 654,-0.1 1,-0.3 -2,-0.0 0.580 126.2 51.9 -69.0 -15.0 30.6 -80.9 -127.2 20 25 A Y T 3 S- 0 0 58 2,-0.1 618,-0.5 617,-0.0 -1,-0.3 0.267 122.0-102.7 -99.4 10.0 27.1 -79.4 -127.0 21 26 A G S < S+ 0 0 4 -3,-1.7 -2,-0.1 1,-0.3 175,-0.1 0.812 70.2 150.5 74.2 31.6 27.7 -77.4 -130.1 22 27 A V - 0 0 0 173,-0.1 -4,-2.0 175,-0.0 2,-0.4 -0.870 39.3-138.2 -94.7 123.2 28.3 -74.0 -128.4 23 28 A P E -A 17 0A 0 0, 0.0 175,-1.8 0, 0.0 2,-0.7 -0.709 11.7-161.2 -84.9 132.0 30.7 -71.8 -130.5 24 29 A H E -Ac 16 198A 2 -8,-1.6 -8,-2.7 -2,-0.4 2,-0.6 -0.950 19.0-160.1-109.9 104.4 33.5 -69.8 -128.8 25 30 A I E -Ac 15 199A 0 173,-3.6 175,-2.6 -2,-0.7 2,-0.5 -0.806 9.1-170.0 -97.1 118.5 34.3 -67.3 -131.4 26 31 A Y E +Ac 14 200A 1 -12,-2.5 -12,-1.8 -2,-0.6 2,-0.3 -0.956 8.8 178.6-110.9 124.7 37.7 -65.6 -131.1 27 32 A G - 0 0 0 173,-2.7 -14,-0.1 -2,-0.5 3,-0.1 -0.946 34.8-138.9-125.0 145.0 38.3 -62.6 -133.4 28 33 A V S S+ 0 0 51 -2,-0.3 2,-0.3 173,-0.2 173,-0.1 0.642 93.7 6.8 -76.3 -16.1 41.4 -60.4 -133.7 29 34 A D S > S- 0 0 74 171,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.951 90.8 -88.4-154.7 176.0 39.0 -57.5 -134.0 30 35 A A H > S+ 0 0 26 -2,-0.3 4,-2.5 1,-0.2 3,-0.4 0.942 120.7 48.5 -60.2 -53.9 35.2 -56.7 -133.8 31 36 A P H > S+ 0 0 34 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.860 110.5 53.8 -55.2 -37.4 34.2 -57.4 -137.4 32 37 A S H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.902 109.6 47.2 -62.9 -42.6 36.1 -60.7 -137.3 33 38 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 -3,-0.4 -1,-0.2 0.917 111.9 50.1 -67.4 -39.1 34.2 -61.8 -134.2 34 39 A F H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.892 110.7 50.0 -64.7 -38.4 30.8 -60.7 -135.8 35 40 A Y H X S+ 0 0 24 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.927 110.2 50.2 -62.2 -47.5 31.7 -62.7 -139.0 36 41 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.868 110.7 50.8 -55.8 -38.9 32.5 -65.7 -136.9 37 42 A Y H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.889 109.7 48.6 -72.1 -41.2 29.2 -65.3 -135.1 38 43 A G H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.906 111.5 50.3 -61.6 -44.4 27.3 -65.1 -138.3 39 44 A W H X S+ 0 0 30 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.945 112.3 47.8 -54.7 -49.0 29.1 -68.2 -139.6 40 45 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.909 110.6 49.8 -64.5 -44.7 28.2 -70.1 -136.4 41 46 A Q H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.825 110.0 51.9 -63.7 -32.4 24.5 -69.1 -136.4 42 47 A A H X S+ 0 0 3 -4,-1.7 4,-1.3 3,-0.2 -1,-0.2 0.882 110.4 48.6 -73.9 -36.5 24.3 -70.2 -140.0 43 48 A R H < S+ 0 0 75 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.919 122.5 33.3 -61.3 -43.2 25.8 -73.5 -139.1 44 49 A S H < S+ 0 0 4 -4,-2.3 596,-1.9 -5,-0.1 597,-0.8 0.797 142.4 6.3 -91.2 -32.8 23.4 -73.9 -136.1 45 50 A H H X S+ 0 0 5 -4,-3.0 4,-1.9 -5,-0.2 3,-0.5 0.120 82.3 135.3-139.5 24.2 20.2 -72.3 -137.3 46 51 A G H X + 0 0 2 -4,-1.3 4,-2.7 1,-0.2 5,-0.3 0.812 68.6 51.0 -46.5 -53.2 20.9 -71.4 -140.9 47 52 A D H > S+ 0 0 21 69,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.921 115.0 40.9 -56.3 -48.3 17.6 -72.5 -142.6 48 53 A N H > S+ 0 0 44 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.780 112.9 55.5 -76.2 -26.2 15.3 -70.6 -140.2 49 54 A I H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.964 109.9 45.8 -66.6 -50.4 17.5 -67.6 -140.2 50 55 A L H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.898 111.6 52.7 -57.9 -42.3 17.4 -67.3 -144.0 51 56 A R H X S+ 0 0 41 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.907 111.6 45.4 -60.7 -42.6 13.7 -67.8 -143.9 52 57 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.896 111.4 51.5 -68.9 -39.7 13.1 -65.0 -141.4 53 58 A Y H X S+ 0 0 1 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.903 108.3 53.8 -65.3 -38.5 15.5 -62.6 -143.3 54 59 A G H ><>S+ 0 0 0 -4,-2.4 5,-1.9 -5,-0.2 3,-0.5 0.918 109.7 47.0 -58.1 -45.6 13.5 -63.4 -146.4 55 60 A E H ><5S+ 0 0 15 -4,-1.8 3,-1.9 1,-0.2 5,-0.4 0.894 107.9 54.8 -63.7 -40.7 10.3 -62.4 -144.6 56 61 A A H 3<5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.651 100.6 61.9 -74.0 -13.8 11.8 -59.2 -143.2 57 62 A R T <<5S- 0 0 48 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.495 119.5-111.9 -76.2 -12.1 12.7 -58.2 -146.8 58 63 A G T < 5S+ 0 0 6 -3,-1.9 3,-0.2 -4,-0.2 4,-0.2 0.576 91.4 111.4 86.6 13.4 9.0 -58.3 -147.6 59 64 A K >< + 0 0 71 -5,-1.9 4,-2.9 -6,-0.2 5,-0.3 0.193 31.6 106.5-113.3 16.4 9.6 -61.3 -149.8 60 65 A G H > S+ 0 0 0 -5,-0.4 4,-2.6 1,-0.2 5,-0.3 0.923 84.5 45.7 -62.0 -47.9 7.8 -64.1 -147.9 61 66 A A H > S+ 0 0 0 7,-0.4 207,-2.8 -3,-0.2 4,-1.5 0.862 116.2 47.6 -62.4 -36.4 4.9 -64.3 -150.3 62 67 A E H 4 S+ 0 0 50 205,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.911 118.8 37.2 -74.2 -44.5 7.3 -64.2 -153.3 63 68 A Y H < S+ 0 0 18 -4,-2.9 -2,-0.2 1,-0.1 -3,-0.2 0.884 137.0 13.6 -74.7 -38.8 9.7 -66.8 -152.0 64 69 A W H < S- 0 0 13 -4,-2.6 3,-0.5 -5,-0.3 -3,-0.2 0.293 95.6-132.8-132.7 6.8 7.2 -69.2 -150.4 65 70 A G >< - 0 0 2 -4,-1.5 3,-2.3 -5,-0.3 4,-0.2 -0.137 58.9 -9.8 79.9-166.3 3.6 -68.4 -151.4 66 71 A P G > S+ 0 0 80 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.606 118.7 64.9 -46.3 -33.3 0.3 -67.9 -149.7 67 72 A D G 3 S+ 0 0 154 -3,-0.5 4,-0.1 1,-0.3 -2,-0.1 0.660 110.8 40.2 -68.7 -16.6 1.2 -69.1 -146.1 68 73 A Y G <> S+ 0 0 51 -3,-2.3 4,-1.6 -8,-0.2 -7,-0.4 0.344 91.9 94.7-108.6 3.4 3.6 -66.2 -145.9 69 74 A E H <> S+ 0 0 24 -3,-1.2 4,-1.9 -4,-0.2 -2,-0.1 0.770 77.7 53.2 -74.7 -33.6 1.4 -63.6 -147.5 70 75 A Q H > S+ 0 0 127 -4,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.844 109.6 49.7 -76.6 -30.1 -0.3 -62.0 -144.6 71 76 A T H > S+ 0 0 40 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.911 109.2 53.1 -68.8 -41.4 3.1 -61.3 -142.9 72 77 A T H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 5,-0.3 0.913 110.1 47.4 -57.0 -44.3 4.3 -59.7 -146.2 73 78 A V H X S+ 0 0 23 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.886 113.0 49.5 -66.6 -40.5 1.2 -57.4 -146.3 74 79 A W H X S+ 0 0 8 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.899 115.7 41.8 -63.0 -43.8 1.8 -56.5 -142.6 75 80 A L H <>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 -2,-0.2 0.881 117.3 45.5 -79.3 -36.1 5.4 -55.7 -143.1 76 81 A L H ><5S+ 0 0 32 -4,-2.7 3,-1.5 -5,-0.2 -2,-0.2 0.905 112.0 52.0 -71.2 -42.7 5.1 -53.9 -146.5 77 82 A T H 3<5S+ 0 0 11 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.856 112.3 46.7 -60.8 -33.9 2.1 -51.9 -145.2 78 83 A N T 3<5S- 0 0 5 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.278 112.3-122.0 -92.3 9.2 4.1 -50.8 -142.2 79 84 A G T <>5 + 0 0 18 -3,-1.5 4,-2.4 1,-0.1 5,-0.2 0.679 58.8 150.1 64.0 24.4 7.2 -49.9 -144.4 80 85 A V H >< + 0 0 0 -5,-2.4 4,-2.0 1,-0.2 -4,-0.1 0.887 63.4 46.9 -61.4 -50.5 9.5 -52.4 -142.6 81 86 A P H > S+ 0 0 22 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.922 116.8 43.2 -62.5 -43.7 12.0 -53.4 -145.4 82 87 A E H > S+ 0 0 130 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.927 112.1 53.6 -66.6 -42.2 12.6 -49.8 -146.6 83 88 A R H X S+ 0 0 40 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.876 105.1 56.4 -60.1 -32.2 12.8 -48.5 -143.0 84 89 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.887 104.5 51.0 -67.0 -39.3 15.5 -51.2 -142.5 85 90 A Q H X S+ 0 0 105 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.895 111.9 49.1 -60.0 -39.3 17.5 -49.8 -145.4 86 91 A Q H X S+ 0 0 85 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.947 112.2 46.4 -66.5 -44.7 17.2 -46.4 -143.8 87 92 A W H < S+ 0 0 10 -4,-2.7 4,-0.3 2,-0.2 -1,-0.2 0.841 109.6 55.0 -67.3 -34.2 18.3 -47.6 -140.3 88 93 A Y H >< S+ 0 0 52 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.951 110.1 45.2 -63.4 -50.3 21.2 -49.5 -141.9 89 94 A A H 3< S+ 0 0 66 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.784 110.0 57.3 -60.1 -28.4 22.5 -46.3 -143.5 90 95 A Q T 3< S+ 0 0 106 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.401 83.2 110.1 -87.4 -1.4 21.9 -44.5 -140.2 91 96 A Q S < S- 0 0 14 -3,-1.4 218,-0.1 -4,-0.3 -3,-0.0 -0.324 83.0 -98.1 -63.5 156.5 24.2 -46.9 -138.3 92 97 A S > - 0 0 40 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.475 37.7-111.6 -67.6 150.0 27.5 -45.5 -137.0 93 98 A P H > S+ 0 0 97 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.901 115.2 49.1 -50.2 -46.6 30.3 -46.5 -139.4 94 99 A D H > S+ 0 0 134 1,-0.2 4,-1.1 2,-0.2 3,-0.1 0.914 113.4 43.9 -65.1 -44.0 31.9 -48.9 -136.9 95 100 A F H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.855 108.9 58.5 -74.6 -30.1 28.7 -50.7 -136.0 96 101 A R H X S+ 0 0 58 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.872 103.2 53.6 -61.2 -38.6 27.7 -50.9 -139.7 97 102 A A H X S+ 0 0 41 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.810 106.7 51.5 -67.1 -32.1 30.9 -52.8 -140.4 98 103 A N H X S+ 0 0 11 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.898 111.2 48.1 -68.0 -39.1 30.1 -55.3 -137.6 99 104 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.882 111.6 49.2 -67.9 -42.0 26.7 -55.9 -139.2 100 105 A D H X S+ 0 0 60 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.851 110.9 51.2 -61.1 -39.3 28.2 -56.3 -142.7 101 106 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.926 107.4 52.0 -67.2 -43.7 30.7 -58.7 -141.2 102 107 A F H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.913 112.6 45.9 -56.2 -45.5 27.8 -60.8 -139.5 103 108 A A H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 24,-0.3 0.910 110.1 53.5 -66.8 -40.7 26.1 -61.0 -142.9 104 109 A A H X S+ 0 0 27 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.843 106.2 54.4 -60.5 -35.9 29.3 -61.9 -144.7 105 110 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.906 108.0 48.2 -65.5 -43.5 29.8 -64.7 -142.2 106 111 A I H X S+ 0 0 4 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.950 113.5 47.5 -57.7 -51.3 26.3 -66.1 -143.0 107 112 A N H X S+ 0 0 42 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.849 112.1 49.9 -61.0 -38.4 27.0 -65.9 -146.7 108 113 A A H X S+ 0 0 15 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.830 107.9 53.2 -71.3 -35.8 30.4 -67.5 -146.3 109 114 A Y H X S+ 0 0 6 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.969 113.1 43.7 -61.7 -49.8 29.0 -70.4 -144.3 110 115 A A H < S+ 0 0 6 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.844 112.4 52.8 -64.3 -36.2 26.5 -71.1 -147.0 111 116 A Q H < S+ 0 0 142 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.875 115.0 40.0 -67.8 -40.3 29.0 -70.8 -149.8 112 117 A Q H < S+ 0 0 132 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.625 128.8 32.5 -85.8 -13.5 31.4 -73.2 -148.2 113 118 A N >< + 0 0 39 -4,-1.5 3,-1.8 -5,-0.2 -1,-0.2 -0.420 64.2 155.5-139.4 60.5 28.6 -75.6 -147.1 114 119 A P G > S+ 0 0 73 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.723 71.3 66.6 -64.2 -22.1 25.8 -75.4 -149.7 115 120 A D G 3 S+ 0 0 124 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.721 94.3 59.4 -68.4 -21.6 24.6 -78.9 -148.7 116 121 A D G < S+ 0 0 62 -3,-1.8 2,-0.5 -6,-0.1 -1,-0.2 0.482 90.1 84.1 -86.0 -2.8 23.6 -77.6 -145.3 117 122 A I S < S- 0 0 4 -3,-1.1 5,-0.1 -4,-0.2 -75,-0.0 -0.900 84.1-120.7-110.3 122.8 21.2 -75.1 -146.7 118 123 A S >> - 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