==== 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 07-OCT-07 2ZAK . COMPND 2 MOLECULE: L-ASPARAGINASE PRECURSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.MICHALSKA,A.HERNANDEZ-SANTOYO,M.JASKOLSKI . 591 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20788.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 417 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 20.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 14 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 3.2 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 0 2 0 0 0 7 2 0 0 2 0 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 2 4 3 1 3 5 4 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 . 0 0 0 0 2 0 0 2 0 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 2 A G 0 0 76 0, 0.0 3,-0.1 0, 0.0 286,-0.1 0.000 360.0 360.0 360.0 -12.3 19.4 -19.8 86.2 2 3 A K + 0 0 112 1,-0.3 169,-0.1 169,-0.1 171,-0.1 -0.087 360.0 81.6-141.7 -52.9 20.4 -19.1 82.6 3 4 A A + 0 0 2 284,-0.1 285,-2.8 285,-0.1 2,-0.3 -0.309 68.7 159.8 -50.7 136.3 16.6 -18.6 81.8 4 5 A V E -AB 171 287A 0 167,-1.7 167,-2.4 283,-0.3 2,-0.4 -0.992 32.4-151.1-164.8 151.0 15.8 -15.0 82.9 5 6 A I E -AB 170 286A 0 281,-1.8 281,-2.4 -2,-0.3 2,-0.3 -0.976 7.5-173.5-129.5 140.4 13.4 -12.1 82.5 6 7 A A E -AB 169 285A 0 163,-2.5 163,-2.7 -2,-0.4 2,-0.3 -0.985 10.1-176.9-123.0 150.1 13.9 -8.3 82.8 7 8 A I E -AB 168 284A 0 277,-3.1 277,-2.0 -2,-0.3 2,-0.3 -0.921 6.2-163.8-134.5 159.2 11.1 -5.8 82.6 8 9 A H E -AB 167 283A 0 159,-2.4 159,-2.5 -2,-0.3 275,-0.3 -0.995 19.2-161.3-141.7 154.8 10.8 -2.0 82.7 9 10 A G E - 0 0 5 273,-2.4 57,-0.3 1,-0.4 157,-0.2 -0.011 68.5 -70.4-118.4 29.2 8.1 0.7 83.3 10 11 A G E - 0 0 3 272,-0.5 272,-2.3 55,-0.1 -1,-0.4 0.008 43.7-110.1 102.7 153.8 9.9 3.6 81.7 11 12 A A E + B 0 281A 16 270,-0.2 2,-0.3 251,-0.1 270,-0.2 -0.762 51.3 103.7-116.2 160.7 12.9 5.8 82.4 12 13 A G E S- B 0 280A 16 268,-2.5 268,-2.0 -2,-0.3 2,-0.1 -0.975 76.1 -39.7 156.5-173.6 13.0 9.5 83.4 13 14 A A + 0 0 79 -2,-0.3 2,-0.2 266,-0.2 268,-0.1 0.136 62.8 160.5 -74.2 21.5 13.4 12.3 85.9 14 15 A I - 0 0 37 266,-0.2 2,-0.5 -2,-0.1 -2,-0.1 -0.263 34.8-143.0 -52.5 107.9 11.5 10.3 88.6 15 16 A S > - 0 0 28 -2,-0.2 3,-2.0 1,-0.1 4,-0.3 -0.701 20.4-155.8 -99.7 119.1 12.8 12.2 91.6 16 17 A R G > S+ 0 0 153 -2,-0.5 3,-1.1 1,-0.3 -1,-0.1 0.808 95.1 63.1 -57.0 -32.3 13.6 10.5 94.9 17 18 A A G 3 S+ 0 0 101 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.697 103.9 47.6 -64.6 -22.5 13.1 13.8 96.7 18 19 A Q G < S+ 0 0 161 -3,-2.0 2,-0.3 2,-0.1 -1,-0.2 0.347 98.7 80.2-107.3 4.4 9.4 14.0 95.6 19 20 A M < - 0 0 46 -3,-1.1 2,-0.2 -4,-0.3 3,-0.1 -0.751 63.3-141.1-110.2 155.1 8.3 10.4 96.5 20 21 A S > - 0 0 47 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.602 29.2-114.8 -95.6 172.0 7.3 8.8 99.8 21 22 A L H > S+ 0 0 108 -2,-0.2 4,-2.8 2,-0.2 5,-0.2 0.938 118.3 54.3 -67.1 -46.9 8.3 5.2 100.6 22 23 A Q H > S+ 0 0 112 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.864 109.9 47.9 -57.6 -34.9 4.6 4.1 100.5 23 24 A Q H > S+ 0 0 104 2,-0.2 4,-1.0 1,-0.2 3,-0.3 0.885 111.1 49.9 -68.5 -44.4 4.3 5.6 97.0 24 25 A E H X S+ 0 0 8 -4,-1.7 4,-2.8 1,-0.2 3,-0.4 0.871 104.8 59.5 -59.0 -42.3 7.6 3.9 95.8 25 26 A L H X S+ 0 0 46 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.818 96.5 60.3 -57.7 -35.3 6.2 0.6 97.2 26 27 A R H X S+ 0 0 98 -4,-1.0 4,-1.5 -3,-0.3 -1,-0.2 0.923 112.4 39.1 -58.9 -42.2 3.2 0.7 94.9 27 28 A Y H X S+ 0 0 33 -4,-1.0 4,-2.6 -3,-0.4 -2,-0.2 0.889 115.7 52.0 -72.2 -43.4 5.6 0.7 91.9 28 29 A I H X S+ 0 0 41 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.901 111.2 47.4 -61.6 -40.3 7.9 -1.8 93.6 29 30 A E H X S+ 0 0 100 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.856 111.7 48.7 -70.6 -40.9 5.1 -4.2 94.3 30 31 A A H X S+ 0 0 18 -4,-1.5 4,-1.8 -5,-0.2 5,-0.2 0.951 114.0 48.0 -61.1 -48.7 3.6 -4.0 90.7 31 32 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.882 113.4 47.2 -57.8 -43.3 7.1 -4.6 89.3 32 33 A S H X S+ 0 0 29 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.906 109.2 52.1 -67.9 -43.4 7.7 -7.5 91.6 33 34 A A H X S+ 0 0 55 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.856 115.6 43.2 -63.1 -33.5 4.3 -9.2 90.9 34 35 A I H X S+ 0 0 10 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.898 111.7 49.1 -82.2 -47.7 4.9 -9.0 87.2 35 36 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.934 113.1 51.4 -59.1 -41.8 8.6 -10.1 87.0 36 37 A E H X S+ 0 0 99 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.853 105.5 53.8 -60.8 -41.5 7.6 -13.1 89.3 37 38 A T H X S+ 0 0 55 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.914 112.1 46.3 -54.9 -42.5 4.7 -14.0 86.9 38 39 A G H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.900 111.6 50.4 -68.0 -44.3 7.4 -14.0 84.2 39 40 A Q H X S+ 0 0 4 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.949 110.0 49.9 -55.4 -52.7 9.8 -16.1 86.3 40 41 A K H X S+ 0 0 154 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.895 111.6 48.4 -57.0 -43.4 7.1 -18.6 87.1 41 42 A M H <>S+ 0 0 37 -4,-2.0 5,-2.4 2,-0.2 -1,-0.2 0.946 113.1 48.6 -63.5 -48.4 6.2 -19.0 83.4 42 43 A L H ><5S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.2 131,-0.3 0.921 111.4 48.2 -51.2 -53.5 10.0 -19.4 82.5 43 44 A E H 3<5S+ 0 0 86 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.829 108.9 55.5 -58.2 -37.0 10.5 -22.0 85.2 44 45 A A T 3<5S- 0 0 71 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.409 123.2-106.2 -76.0 1.0 7.4 -23.8 83.9 45 46 A G T < 5 + 0 0 38 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.648 63.7 156.8 82.0 14.7 9.0 -24.0 80.4 46 47 A E < - 0 0 80 -5,-2.4 127,-0.4 -6,-0.2 -1,-0.2 -0.382 49.7 -93.2 -64.2 150.0 6.8 -21.3 78.7 47 48 A S > - 0 0 36 1,-0.1 4,-2.4 125,-0.1 5,-0.2 -0.291 22.9-120.0 -65.3 148.5 8.3 -19.7 75.6 48 49 A A H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.895 116.9 55.0 -48.7 -41.1 10.3 -16.4 75.8 49 50 A L H > S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.895 108.7 44.9 -66.1 -43.1 7.7 -14.9 73.4 50 51 A D H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.889 112.4 54.4 -63.5 -38.2 4.7 -15.9 75.7 51 52 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.944 111.6 41.0 -64.1 -47.1 6.7 -14.5 78.7 52 53 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.881 113.9 54.2 -75.3 -31.9 7.4 -11.1 77.3 53 54 A T H X S+ 0 0 7 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.912 112.7 42.6 -60.7 -48.1 3.9 -10.8 75.9 54 55 A E H X S+ 0 0 50 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.907 114.1 51.8 -64.4 -44.7 2.3 -11.6 79.3 55 56 A A H X S+ 0 0 2 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.946 114.3 42.1 -57.4 -51.9 4.7 -9.3 81.2 56 57 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.876 111.2 56.2 -66.8 -39.3 4.0 -6.4 78.8 57 58 A R H X S+ 0 0 66 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.893 109.7 46.5 -55.4 -44.6 0.2 -7.2 78.9 58 59 A L H X S+ 0 0 40 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.867 110.5 52.4 -65.0 -37.1 0.3 -6.9 82.8 59 60 A L H < S+ 0 0 0 -4,-2.1 6,-0.4 2,-0.2 -2,-0.2 0.885 111.4 47.9 -63.6 -37.9 2.3 -3.6 82.5 60 61 A E H < S+ 0 0 0 -4,-2.3 9,-0.6 1,-0.2 7,-0.2 0.969 110.7 50.8 -63.7 -49.8 -0.4 -2.4 80.1 61 62 A E H < S+ 0 0 48 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.814 94.4 85.7 -59.6 -33.2 -3.1 -3.5 82.6 62 63 A C S >< S- 0 0 20 -4,-1.9 3,-1.9 1,-0.1 5,-0.2 -0.580 70.8-150.3 -73.5 117.8 -1.4 -1.7 85.5 63 64 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.708 88.9 74.1 -71.2 -9.9 -2.5 2.0 85.7 64 65 A L T 3 S+ 0 0 45 -38,-0.1 2,-0.4 2,-0.1 6,-0.1 0.735 90.8 68.8 -67.7 -21.6 0.9 3.0 87.2 65 66 A F S < S- 0 0 1 -3,-1.9 2,-2.0 -6,-0.4 101,-0.1 -0.882 87.3-116.6-116.3 139.4 2.6 2.6 83.8 66 67 A N S S+ 0 0 5 -2,-0.4 118,-1.2 -57,-0.3 119,-0.4 -0.444 86.0 79.9 -69.3 76.0 2.4 4.5 80.5 67 68 A A S S- 0 0 0 -2,-2.0 -2,-0.2 116,-0.3 117,-0.1 -0.795 99.4 -20.6-178.5 139.0 1.0 1.8 78.3 68 69 A G S > S+ 0 0 0 -2,-0.2 3,-1.8 115,-0.2 2,-0.2 -0.288 130.6 24.4 52.0-129.2 -2.6 0.5 78.0 69 70 A I T 3 S+ 0 0 22 -9,-0.6 -4,-0.3 1,-0.3 -2,-0.3 -0.436 131.8 32.5 -61.8 121.5 -4.6 1.5 81.1 70 71 A G T 3 S+ 0 0 0 73,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.527 83.4 159.4 102.8 5.6 -2.7 4.5 82.4 71 72 A A < - 0 0 0 -3,-1.8 74,-0.3 72,-0.3 -1,-0.3 -0.362 43.2-111.8 -60.6 139.0 -1.6 5.9 79.0 72 73 A V - 0 0 5 113,-0.1 2,-0.4 1,-0.1 8,-0.3 -0.168 35.2-108.8 -61.0 163.5 -0.6 9.6 78.9 73 74 A F - 0 0 15 75,-0.3 115,-2.8 6,-0.1 116,-0.6 -0.791 22.7-129.5-101.9 144.1 -2.8 12.0 76.9 74 75 A T B > -i 189 0B 3 4,-2.8 3,-2.4 -2,-0.4 116,-0.2 -0.298 41.9 -87.7 -75.3 169.7 -2.0 13.6 73.7 75 76 A R T 3 S+ 0 0 115 114,-2.8 115,-0.1 1,-0.3 -1,-0.1 0.767 132.2 51.6 -40.0 -38.0 -2.3 17.4 73.0 76 77 A D T 3 S- 0 0 86 113,-0.4 -1,-0.3 2,-0.1 3,-0.1 0.150 120.3-108.7 -96.4 14.5 -5.9 16.7 72.0 77 78 A E S < S+ 0 0 82 -3,-2.4 2,-0.2 1,-0.2 -2,-0.1 0.817 82.6 117.9 59.1 38.0 -6.7 14.7 75.2 78 79 A T - 0 0 60 -4,-0.0 -4,-2.8 2,-0.0 2,-0.4 -0.662 63.5-117.9-117.5 176.5 -6.9 11.4 73.4 79 80 A H - 0 0 4 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.1 -0.987 21.7-175.2-119.4 135.5 -4.8 8.3 73.7 80 81 A E - 0 0 32 104,-0.7 2,-0.3 -2,-0.4 20,-0.2 -0.979 14.8-164.7-127.9 116.7 -2.6 6.9 70.9 81 82 A L E -C 99 0A 0 18,-3.2 18,-3.0 -2,-0.4 17,-0.4 -0.744 9.3-176.1-111.7 145.4 -1.0 3.6 71.8 82 83 A D E + D 0 183A 1 101,-2.2 101,-2.7 -2,-0.3 2,-0.3 -0.967 5.7 171.9-134.6 153.9 1.9 1.7 70.1 83 84 A A E -CD 96 182A 0 13,-2.5 13,-2.0 -2,-0.3 2,-0.3 -0.989 11.6-164.7-161.1 156.7 3.6 -1.7 70.7 84 85 A C E -CD 95 181A 0 97,-2.4 97,-2.3 -2,-0.3 2,-0.3 -0.991 2.3-173.5-143.2 147.3 6.1 -4.1 69.3 85 86 A V E -CD 94 180A 0 9,-2.4 9,-1.9 -2,-0.3 2,-0.4 -0.996 6.2-170.6-137.8 145.0 6.9 -7.8 69.8 86 87 A M E -CD 93 179A 0 93,-2.5 93,-1.7 -2,-0.3 2,-0.7 -0.975 15.3-150.7-145.2 134.5 9.8 -9.8 68.3 87 88 A D E >> -CD 92 178A 26 5,-2.7 4,-1.7 -2,-0.4 5,-0.5 -0.889 5.3-162.8-103.1 109.4 10.6 -13.5 68.4 88 89 A G T 45S+ 0 0 2 89,-2.5 120,-2.8 -2,-0.7 121,-0.3 0.528 85.7 62.2 -72.0 -10.1 14.4 -14.0 68.2 89 90 A N T 45S+ 0 0 97 88,-0.4 -1,-0.2 118,-0.2 89,-0.1 0.922 123.3 15.7 -76.0 -54.0 13.9 -17.7 67.1 90 91 A T T 45S- 0 0 59 -3,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.520 97.5-130.1 -93.7 -9.7 12.1 -17.0 63.8 91 92 A L T <5 + 0 0 31 -4,-1.7 -3,-0.2 1,-0.2 2,-0.1 0.617 60.6 142.7 55.9 18.1 13.1 -13.3 63.7 92 93 A K E < -C 87 0A 82 -5,-0.5 -5,-2.7 -6,-0.0 2,-0.3 -0.449 26.6-178.9 -79.8 165.8 9.5 -12.5 63.1 93 94 A A E -C 86 0A 2 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.976 15.1-160.0-163.3 146.9 8.0 -9.4 64.7 94 95 A G E +C 85 0A 0 -9,-1.9 -9,-2.4 -2,-0.3 2,-0.3 -0.993 14.5 173.3-139.1 148.0 4.6 -7.6 64.9 95 96 A A E -Ce 84 120A 0 24,-1.8 26,-2.1 -2,-0.3 2,-0.3 -0.993 14.3-164.3-154.7 146.7 3.9 -4.0 65.8 96 97 A V E -Ce 83 121A 1 -13,-2.0 -13,-2.5 -2,-0.3 2,-0.4 -0.972 10.8-171.1-130.9 147.5 1.0 -1.6 65.9 97 98 A A E + e 0 122A 0 24,-1.4 26,-2.7 -2,-0.3 -15,-0.2 -0.999 61.7 18.1-142.4 143.6 1.1 2.2 66.1 98 99 A G E S+ 0 0 16 -17,-0.4 2,-0.3 -2,-0.4 -16,-0.2 0.800 77.9 154.7 74.2 34.2 -1.5 4.9 66.7 99 100 A V E +C 81 0A 0 -18,-3.0 -18,-3.2 1,-0.1 -1,-0.2 -0.730 18.7 165.5 -98.7 145.6 -4.2 2.7 68.1 100 101 A S S S+ 0 0 21 -2,-0.3 -1,-0.1 -20,-0.2 -21,-0.1 0.481 70.5 53.3-130.1 -12.2 -7.0 3.9 70.4 101 102 A H S S+ 0 0 69 36,-0.1 37,-2.6 41,-0.0 2,-0.5 0.264 84.7 92.1-117.3 17.7 -9.7 1.2 70.5 102 103 A L - 0 0 0 35,-0.2 35,-0.1 1,-0.1 -34,-0.1 -0.941 61.3-153.5-112.7 121.9 -7.6 -1.9 71.5 103 104 A R S S+ 0 0 93 -2,-0.5 -34,-0.2 33,-0.5 -1,-0.1 0.893 88.1 33.5 -64.2 -38.6 -7.3 -2.6 75.1 104 105 A N >> - 0 0 16 1,-0.1 4,-1.7 -36,-0.1 3,-1.3 -0.809 61.4-175.2-126.6 87.4 -3.9 -4.4 74.8 105 106 A P H 3> S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.845 86.1 59.1 -44.5 -43.8 -1.5 -3.1 72.1 106 107 A V H 3> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.819 105.8 49.5 -60.9 -30.5 1.0 -5.8 72.7 107 108 A L H <> S+ 0 0 57 -3,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.881 110.4 48.9 -75.7 -39.7 -1.7 -8.4 71.9 108 109 A A H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.940 110.8 51.9 -58.0 -50.1 -2.6 -6.7 68.7 109 110 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.914 110.9 47.4 -50.1 -47.6 1.1 -6.5 67.9 110 111 A R H X S+ 0 0 37 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.876 109.0 53.9 -63.7 -41.2 1.4 -10.3 68.5 111 112 A L H X S+ 0 0 21 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.884 106.6 52.8 -57.1 -42.0 -1.8 -10.9 66.3 112 113 A V H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 6,-0.3 0.962 112.0 46.0 -63.3 -47.6 -0.0 -8.9 63.5 113 114 A M H < S+ 0 0 5 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.931 124.9 29.8 -53.7 -49.6 3.0 -11.2 63.8 114 115 A E H < S+ 0 0 95 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.698 125.5 36.5 -94.2 -24.4 1.0 -14.5 64.0 115 116 A Q H < S+ 0 0 104 -4,-3.1 -1,-0.2 -5,-0.2 -3,-0.1 0.152 113.2 51.1-121.3 19.7 -2.2 -14.0 62.0 116 117 A S S < S- 0 0 17 -4,-0.7 13,-0.0 2,-0.2 0, 0.0 -0.977 76.0-124.6-143.9 157.6 -0.9 -11.8 59.2 117 118 A P S S+ 0 0 108 0, 0.0 2,-0.2 0, 0.0 398,-0.1 0.437 87.3 94.4 -73.3 2.7 2.0 -11.9 56.6 118 119 A H - 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