==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-MAY-11 3S8R . COMPND 2 MOLECULE: GLUTARYL-7-AMINOCEPHALOSPORANIC-ACID ACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS; . AUTHOR J.K.KIM,I.S.YANG,S.S.PARK,K.H.KIM . 1370 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47876.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 890 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 244 17.8 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 . 89 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 335 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 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 6 6 0 2 4 4 2 3 3 0 2 1 1 0 0 2 2 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 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 . 10 5 14 7 6 4 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 4 2 0 0 0 2 0 2 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 0 127 0, 0.0 627,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 17.1 73.0 58.5 78.7 2 7 A Q + 0 0 138 346,-0.1 347,-0.0 627,-0.0 627,-0.0 0.645 360.0 73.3 17.1 46.4 71.7 55.0 79.1 3 8 A A S S- 0 0 60 0, 0.0 626,-0.0 0, 0.0 0, 0.0 -0.653 90.1-112.0-174.7 119.8 68.2 56.1 77.8 4 9 A P - 0 0 75 0, 0.0 3,-0.1 0, 0.0 625,-0.1 0.087 37.1 -87.8 -64.0 166.5 67.7 56.8 74.1 5 10 A I - 0 0 60 1,-0.1 3,-0.1 221,-0.1 2,-0.1 -0.383 59.5 -80.2 -69.6 148.8 67.1 60.2 72.5 6 11 A A - 0 0 98 1,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.319 52.7-121.4 -49.2 118.6 63.4 61.4 72.2 7 12 A A - 0 0 69 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.369 24.6-114.0 -61.4 141.4 62.0 59.6 69.2 8 13 A Y - 0 0 84 196,-0.1 -1,-0.1 -3,-0.1 196,-0.1 -0.652 25.1-156.0 -77.3 136.7 60.6 62.0 66.5 9 14 A K - 0 0 126 -2,-0.3 19,-0.1 197,-0.1 195,-0.0 -0.883 13.7-141.2-120.2 96.7 56.8 61.7 66.1 10 15 A P - 0 0 9 0, 0.0 3,-0.1 0, 0.0 17,-0.0 -0.232 17.3-172.2 -62.0 143.0 55.7 62.8 62.6 11 16 A R S S+ 0 0 239 1,-0.2 2,-0.3 194,-0.0 17,-0.1 0.487 71.7 29.9-115.6 -10.9 52.5 64.8 62.3 12 17 A S S S- 0 0 65 15,-0.1 2,-0.5 2,-0.1 -1,-0.2 -0.957 84.2-105.9-139.3 163.4 52.4 64.8 58.5 13 18 A N + 0 0 16 669,-0.5 669,-2.1 -2,-0.3 2,-0.3 -0.816 55.6 141.6 -90.3 124.8 53.4 62.5 55.6 14 19 A E E -AB 26 681A 28 12,-2.1 12,-3.1 -2,-0.5 2,-0.5 -0.975 44.1-138.4-158.6 148.1 56.4 63.8 53.8 15 20 A I E -AB 25 680A 0 665,-2.1 665,-2.8 -2,-0.3 2,-0.7 -0.974 16.3-160.1-107.3 124.6 59.6 62.6 52.2 16 21 A L E -AB 24 679A 0 8,-2.7 8,-1.9 -2,-0.5 2,-0.4 -0.941 12.0-159.9-102.4 111.9 62.6 64.8 52.8 17 22 A W E -AB 23 678A 4 661,-3.1 660,-3.5 -2,-0.7 661,-1.9 -0.803 3.8-149.2 -94.6 132.9 65.2 64.2 50.1 18 23 A D E > - B 0 676A 11 4,-1.9 3,-2.1 -2,-0.4 658,-0.2 -0.310 38.9 -83.6 -90.4-176.6 68.8 65.1 50.8 19 24 A G T 3 S+ 0 0 36 656,-0.6 657,-0.1 1,-0.3 -1,-0.1 0.632 127.9 50.9 -64.0 -17.7 71.4 66.2 48.2 20 25 A Y T 3 S- 0 0 59 2,-0.1 621,-0.5 620,-0.0 -1,-0.3 0.288 121.3-102.2-102.6 7.0 72.3 62.6 47.3 21 26 A G < + 0 0 2 -3,-2.1 -2,-0.1 1,-0.3 178,-0.1 0.829 67.9 154.0 73.8 32.8 68.7 61.5 46.7 22 27 A V - 0 0 0 -4,-0.1 -4,-1.9 176,-0.1 2,-0.4 -0.863 38.3-138.4 -90.3 118.2 68.3 59.7 50.0 23 28 A P E -A 17 0A 0 0, 0.0 178,-1.7 0, 0.0 2,-0.8 -0.674 11.6-160.7 -80.9 128.0 64.6 59.8 50.9 24 29 A H E -Ac 16 201A 1 -8,-1.9 -8,-2.7 -2,-0.4 2,-0.7 -0.911 17.4-160.1-106.8 101.3 63.7 60.5 54.5 25 30 A I E -Ac 15 202A 0 176,-3.6 178,-3.1 -2,-0.8 2,-0.6 -0.768 9.8-173.0 -94.6 114.0 60.3 59.1 54.7 26 31 A Y E +Ac 14 203A 2 -12,-3.1 -12,-2.1 -2,-0.7 2,-0.3 -0.937 8.1 179.5-107.9 119.8 58.2 60.4 57.6 27 32 A G - 0 0 0 176,-3.1 -14,-0.1 -2,-0.6 -15,-0.1 -0.915 36.3-137.8-121.4 150.2 54.8 58.8 58.0 28 33 A V S S+ 0 0 57 -2,-0.3 2,-0.3 176,-0.2 176,-0.1 0.614 94.8 1.3 -76.0 -15.4 52.1 59.4 60.6 29 34 A D S > S- 0 0 68 174,-0.1 4,-1.7 1,-0.1 5,-0.1 -0.915 91.3 -84.2-156.4-178.6 51.7 55.6 60.8 30 35 A A H > S+ 0 0 23 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.949 121.2 50.4 -65.0 -53.7 53.2 52.4 59.3 31 36 A P H > S+ 0 0 25 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.906 109.7 55.3 -53.4 -37.2 51.3 52.1 56.0 32 37 A S H > S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.916 107.9 46.3 -60.0 -45.1 52.2 55.8 55.4 33 38 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 -3,-0.3 -1,-0.2 0.911 113.8 48.9 -65.7 -40.4 55.9 55.2 55.7 34 39 A F H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.879 111.0 51.2 -64.9 -38.1 55.7 52.1 53.5 35 40 A Y H X S+ 0 0 22 -4,-2.7 4,-2.8 -5,-0.3 -2,-0.2 0.961 112.1 45.0 -61.9 -52.5 53.7 54.1 51.0 36 41 A G H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.871 111.5 55.5 -59.8 -35.8 56.3 56.8 50.9 37 42 A Y H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.926 109.9 43.9 -61.8 -46.3 59.0 54.1 50.8 38 43 A G H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.915 113.8 51.2 -64.7 -44.1 57.4 52.6 47.6 39 44 A W H X S+ 0 0 18 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.950 113.1 45.3 -54.4 -54.4 57.0 56.0 46.1 40 45 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.3 0.928 112.7 49.9 -57.1 -51.2 60.6 56.9 46.8 41 46 A Q H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.892 111.4 49.8 -56.0 -42.5 61.9 53.5 45.5 42 47 A A H X S+ 0 0 1 -4,-2.8 4,-2.3 3,-0.2 5,-0.2 0.915 110.3 50.4 -65.4 -40.7 59.8 54.0 42.3 43 48 A R H < S+ 0 0 70 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.913 121.4 33.2 -62.8 -40.3 61.2 57.5 41.9 44 49 A S H < S+ 0 0 6 -4,-2.5 599,-2.2 -5,-0.2 600,-1.2 0.770 143.5 6.8 -86.9 -27.5 64.8 56.3 42.2 45 50 A H H X S+ 0 0 3 -4,-2.9 4,-2.3 -5,-0.3 3,-0.3 0.148 80.3 133.2-145.6 19.6 64.5 52.8 40.7 46 51 A G H X S+ 0 0 1 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.835 71.0 53.7 -49.9 -50.1 61.0 52.5 39.2 47 52 A D H > S+ 0 0 14 -5,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.923 114.8 39.1 -54.7 -53.0 62.0 51.1 35.8 48 53 A N H > S+ 0 0 31 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.854 114.2 53.9 -70.7 -33.5 64.0 48.2 37.2 49 54 A I H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.945 110.2 48.0 -63.5 -47.8 61.6 47.5 40.1 50 55 A L H X S+ 0 0 1 -4,-3.1 4,-3.4 -5,-0.2 -2,-0.2 0.956 111.9 49.6 -56.2 -50.9 58.7 47.2 37.6 51 56 A R H X S+ 0 0 55 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.922 113.0 47.1 -54.2 -47.6 60.8 44.9 35.4 52 57 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.914 112.4 48.3 -61.8 -43.9 61.7 42.7 38.4 53 58 A Y H X S+ 0 0 0 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.907 109.6 54.6 -64.6 -41.1 58.0 42.6 39.6 54 59 A G H ><>S+ 0 0 0 -4,-3.4 5,-1.8 -5,-0.2 3,-0.5 0.921 110.3 46.4 -49.7 -48.9 57.1 41.7 36.0 55 60 A E H ><5S+ 0 0 12 -4,-2.3 3,-2.6 1,-0.2 5,-0.4 0.917 106.0 57.5 -63.5 -45.3 59.5 38.9 36.2 56 61 A A H 3<5S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.730 99.2 61.5 -61.8 -21.7 58.3 37.7 39.6 57 62 A R T <<5S- 0 0 48 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.540 119.2-112.9 -76.5 -8.6 54.8 37.3 38.1 58 63 A G T < 5S+ 0 0 5 -3,-2.6 4,-0.2 -4,-0.2 -3,-0.2 0.713 92.1 112.0 79.6 23.8 56.3 34.8 35.8 59 64 A K >< + 0 0 79 -5,-1.8 4,-2.9 -6,-0.2 5,-0.2 0.151 29.8 107.5-118.2 15.4 55.7 37.2 33.0 60 65 A G H >>S+ 0 0 0 -5,-0.4 4,-3.6 2,-0.2 5,-0.6 0.951 86.2 45.7 -56.5 -52.9 59.2 38.2 32.0 61 66 A A H >5S+ 0 0 0 7,-0.5 210,-2.8 3,-0.2 4,-2.1 0.918 113.0 50.2 -55.2 -48.5 58.9 36.2 28.8 62 67 A E H 45S+ 0 0 27 208,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.907 119.9 36.0 -60.8 -42.0 55.4 37.7 28.0 63 68 A Y H <5S+ 0 0 19 -4,-2.9 -2,-0.2 206,-0.1 -1,-0.2 0.911 136.4 12.6 -77.2 -42.9 56.7 41.2 28.6 64 69 A W H <5S- 0 0 40 -4,-3.6 3,-0.4 1,-0.3 -3,-0.2 0.417 95.0-132.4-129.7 1.4 60.2 41.1 27.1 65 70 A G ><< - 0 0 2 -4,-2.1 3,-2.6 -5,-0.6 4,-0.4 -0.349 59.5 -6.2 89.5-159.2 60.7 37.9 25.2 66 71 A P G >> S+ 0 0 83 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.680 119.9 63.3 -59.0 -29.2 63.3 35.2 24.9 67 72 A D G 34 S+ 0 0 147 -3,-0.4 4,-0.2 1,-0.2 -2,-0.1 0.686 110.5 41.1 -65.1 -17.0 65.9 36.8 27.2 68 73 A Y G <> S+ 0 0 48 -3,-2.6 4,-1.9 -8,-0.1 -7,-0.5 0.454 91.6 92.0-109.2 -3.5 63.5 36.5 30.1 69 74 A E H <> S+ 0 0 35 -3,-0.9 4,-2.8 -4,-0.4 5,-0.2 0.832 78.4 55.7 -68.0 -38.9 62.2 33.0 29.2 70 75 A Q H X S+ 0 0 92 -4,-0.5 4,-2.9 2,-0.2 -1,-0.2 0.967 111.4 45.0 -59.3 -49.4 64.5 30.9 31.3 71 76 A T H > S+ 0 0 24 -4,-0.2 4,-3.3 1,-0.2 5,-0.3 0.906 112.0 53.3 -59.6 -41.5 63.5 32.8 34.5 72 77 A T H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.947 111.6 44.2 -56.5 -51.3 59.9 32.5 33.5 73 78 A V H X S+ 0 0 37 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.921 115.3 50.6 -61.4 -43.4 60.1 28.8 33.0 74 79 A W H X S+ 0 0 3 -4,-2.9 4,-1.6 -5,-0.2 -2,-0.2 0.904 114.5 41.7 -57.0 -48.8 62.1 28.6 36.3 75 80 A L H <>S+ 0 0 0 -4,-3.3 5,-2.8 2,-0.2 -2,-0.2 0.880 117.2 46.3 -75.5 -37.3 59.6 30.6 38.3 76 81 A L H ><5S+ 0 0 36 -4,-2.8 3,-2.1 -5,-0.3 -2,-0.2 0.946 111.8 50.6 -69.4 -45.4 56.5 29.0 36.8 77 82 A T H 3<5S+ 0 0 9 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.872 113.0 47.6 -60.7 -34.1 57.9 25.5 37.2 78 83 A N T 3<5S- 0 0 3 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.296 111.9-123.2 -86.8 7.1 58.6 26.3 40.8 79 84 A G T <>5 + 0 0 24 -3,-2.1 4,-3.2 3,-0.1 -3,-0.2 0.762 59.0 149.7 58.0 30.5 55.2 27.8 41.4 80 85 A V H >< + 0 0 0 -5,-2.8 4,-2.5 2,-0.2 5,-0.2 0.935 66.2 48.4 -64.9 -51.0 56.6 31.1 42.5 81 86 A P H > S+ 0 0 25 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.943 118.2 42.9 -56.2 -43.9 53.8 33.5 41.3 82 87 A E H > S+ 0 0 117 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.921 111.5 53.1 -66.0 -43.5 51.2 31.2 42.9 83 88 A R H X S+ 0 0 36 -4,-3.2 4,-3.3 1,-0.2 5,-0.2 0.886 106.6 56.1 -58.8 -34.7 53.2 30.7 46.1 84 89 A A H X S+ 0 0 2 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.926 103.7 51.1 -63.6 -47.1 53.4 34.5 46.2 85 90 A Q H X S+ 0 0 95 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.925 114.0 46.9 -53.1 -44.1 49.6 34.8 46.2 86 91 A Q H X S+ 0 0 91 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.961 113.0 45.9 -64.3 -52.4 49.6 32.2 49.1 87 92 A W H < S+ 0 0 12 -4,-3.3 4,-0.3 1,-0.2 -1,-0.2 0.875 113.6 51.0 -58.2 -39.7 52.3 33.9 51.1 88 93 A Y H >< S+ 0 0 48 -4,-3.0 3,-1.4 -5,-0.2 -1,-0.2 0.936 109.9 48.5 -63.3 -47.1 50.5 37.2 50.5 89 94 A A H 3< S+ 0 0 65 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.811 110.3 56.2 -57.9 -28.3 47.2 35.7 51.7 90 95 A Q T 3< S+ 0 0 108 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.433 81.6 111.1 -92.3 0.0 49.1 34.4 54.7 91 96 A Q S < S- 0 0 10 -3,-1.4 221,-0.1 -4,-0.3 -3,-0.0 -0.324 80.3 -99.1 -64.2 153.3 50.5 37.7 55.9 92 97 A S > - 0 0 40 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.449 38.1-111.4 -62.9 148.0 49.2 39.2 59.2 93 98 A P H > S+ 0 0 97 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.907 116.1 50.4 -47.6 -48.2 46.6 41.8 58.5 94 99 A D H > S+ 0 0 131 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.920 112.7 44.1 -58.3 -50.1 48.9 44.7 59.7 95 100 A F H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.875 109.3 56.0 -68.0 -37.6 51.8 43.6 57.6 96 101 A R H X S+ 0 0 58 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.901 103.8 55.9 -57.0 -41.6 49.7 43.1 54.5 97 102 A A H X S+ 0 0 39 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.893 108.2 49.0 -58.6 -39.5 48.5 46.7 54.9 98 103 A N H X S+ 0 0 11 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.952 110.9 48.1 -64.9 -48.3 52.2 47.7 54.8 99 104 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.914 113.5 48.5 -57.8 -44.4 52.9 45.6 51.7 100 105 A D H X S+ 0 0 58 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.882 110.7 50.7 -60.4 -43.3 49.8 47.1 50.0 101 106 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.906 108.3 52.7 -60.6 -44.3 50.8 50.6 51.0 102 107 A F H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.924 112.1 44.6 -58.6 -48.2 54.3 50.0 49.5 103 108 A A H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 24,-0.3 0.895 110.9 53.6 -61.5 -43.7 52.8 48.9 46.2 104 109 A A H X S+ 0 0 32 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.885 105.5 55.8 -60.6 -37.9 50.3 51.8 46.2 105 110 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.919 108.7 46.5 -56.3 -47.4 53.3 54.0 46.7 106 111 A I H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.963 115.0 46.0 -61.8 -50.7 54.9 52.6 43.5 107 112 A N H X S+ 0 0 39 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.910 111.6 52.4 -58.5 -45.1 51.6 52.9 41.5 108 113 A A H X S+ 0 0 15 -4,-3.2 4,-2.7 2,-0.2 5,-0.2 0.877 108.6 48.8 -61.1 -42.9 51.0 56.4 42.8 109 114 A Y H X S+ 0 0 10 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.954 114.8 46.6 -61.3 -46.4 54.5 57.6 41.7 110 115 A A H < S+ 0 0 6 -4,-2.3 -2,-0.2 1,-0.2 7,-0.2 0.893 112.7 49.6 -61.9 -41.9 53.9 56.0 38.3 111 116 A Q H < S+ 0 0 144 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.910 116.0 41.5 -64.6 -42.0 50.5 57.5 38.0 112 117 A Q H < S+ 0 0 101 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.784 128.5 32.0 -75.6 -25.5 51.7 61.1 38.9 113 118 A N >X + 0 0 51 -4,-2.2 3,-2.2 -5,-0.2 4,-0.5 -0.406 68.6 154.1-130.3 58.3 54.8 60.7 36.8 114 119 A P G >4 S+ 0 0 80 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.788 73.5 57.0 -64.8 -28.2 53.9 58.5 33.9 115 120 A D G 34 S+ 0 0 136 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.544 98.8 62.4 -80.0 -5.6 56.5 59.9 31.6 116 121 A D G <4 S+ 0 0 78 -3,-2.2 2,-0.5 -6,-0.2 -1,-0.2 0.600 85.3 86.9 -91.6 -14.0 59.2 59.0 34.0 117 122 A I S << S- 0 0 3 -3,-0.8 5,-0.1 -4,-0.5 -74,-0.0 -0.772 92.4-109.6 -88.3 127.6 58.5 55.3 33.8 118 123 A S >> - 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