==== 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 2ZAL . COMPND 2 MOLECULE: L-ASPARAGINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.MICHALSKA,K.BRZEZINSKI,M.JASKOLSKI . 591 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20536.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 408 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 21.0 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 . 12 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 3.0 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 3 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 2 2 4 5 2 1 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 75 0, 0.0 266,-0.2 0, 0.0 171,-0.1 0.000 360.0 360.0 360.0 161.3 21.1 -19.7 80.3 2 3 A K - 0 0 128 264,-0.3 166,-0.1 1,-0.1 168,-0.1 -0.366 360.0 -98.0 -63.1 137.8 18.6 -19.9 83.1 3 4 A A + 0 0 3 -2,-0.1 282,-2.6 281,-0.1 2,-0.3 -0.330 56.2 167.9 -57.3 142.9 15.1 -18.7 82.1 4 5 A V E -AB 168 284A 0 164,-1.5 164,-2.5 280,-0.3 2,-0.4 -0.989 24.1-154.1-160.9 150.6 14.5 -15.1 83.2 5 6 A I E -AB 167 283A 0 278,-2.1 278,-2.2 -2,-0.3 2,-0.3 -0.992 6.2-173.8-131.0 140.8 12.2 -12.2 82.7 6 7 A A E -AB 166 282A 0 160,-2.5 160,-2.5 -2,-0.4 2,-0.3 -0.975 8.4-176.6-126.8 149.3 12.6 -8.4 82.9 7 8 A I E -AB 165 281A 0 274,-2.9 274,-2.0 -2,-0.3 2,-0.3 -0.958 7.2-164.6-135.3 156.8 9.9 -5.8 82.7 8 9 A H E -AB 164 280A 0 156,-2.3 156,-2.3 -2,-0.3 272,-0.3 -0.981 16.1-165.0-136.8 155.4 9.7 -2.0 82.7 9 10 A G E - 0 0 5 270,-2.3 57,-0.4 -2,-0.3 154,-0.2 0.016 68.4 -62.1-123.4 23.2 6.9 0.5 83.2 10 11 A G E - B 0 279A 8 269,-0.6 269,-2.1 55,-0.1 2,-0.3 0.103 41.6-116.4 114.4 145.0 8.7 3.6 81.8 11 12 A A E + B 0 278A 15 267,-0.3 2,-0.3 248,-0.1 267,-0.2 -0.804 52.7 92.3-109.6 149.6 11.7 5.8 82.3 12 13 A G E S- B 0 277A 22 265,-2.0 2,-2.3 -2,-0.3 265,-1.7 -0.993 79.5 -22.4 165.9-158.5 11.7 9.5 83.1 13 14 A A + 0 0 91 -2,-0.3 2,-0.9 263,-0.2 265,-0.1 -0.470 61.7 166.6 -79.3 67.8 11.8 12.3 85.7 14 15 A I - 0 0 17 -2,-2.3 2,-0.7 279,-0.1 -2,-0.1 -0.809 27.2-148.4 -87.1 110.8 10.5 10.1 88.6 15 16 A S >> - 0 0 22 -2,-0.9 4,-1.1 1,-0.2 3,-0.6 -0.748 20.2-165.6 -99.2 114.8 11.3 12.3 91.5 16 17 A R G >4 S+ 0 0 153 -2,-0.7 3,-0.6 1,-0.2 -1,-0.2 0.892 92.0 54.6 -58.3 -44.2 12.1 10.8 94.8 17 18 A A G 34 S+ 0 0 101 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.760 111.5 44.5 -67.4 -26.1 11.7 14.1 96.7 18 19 A Q G <4 S+ 0 0 160 -3,-0.6 -1,-0.2 2,-0.1 2,-0.2 0.612 102.4 85.0 -89.3 -15.5 8.2 14.5 95.3 19 20 A M << - 0 0 50 -4,-1.1 2,-0.3 -3,-0.6 3,-0.0 -0.565 64.2-148.1 -89.5 149.7 7.2 10.9 96.0 20 21 A S > - 0 0 32 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.751 29.6-113.2-102.7 161.9 5.8 9.3 99.2 21 22 A L H > S+ 0 0 106 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.885 118.0 56.8 -59.8 -38.3 6.5 5.8 100.2 22 23 A Q H > S+ 0 0 141 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.903 108.2 46.5 -62.7 -42.4 2.8 5.0 99.7 23 24 A Q H > S+ 0 0 87 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.908 113.7 48.4 -61.2 -47.3 2.9 6.2 96.1 24 25 A E H X S+ 0 0 12 -4,-2.1 4,-2.8 1,-0.2 3,-0.3 0.914 106.7 56.4 -63.3 -43.0 6.1 4.2 95.5 25 26 A L H X S+ 0 0 69 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.836 100.3 58.5 -63.5 -30.9 4.7 1.0 97.0 26 27 A R H X S+ 0 0 159 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.933 111.5 41.9 -60.4 -44.6 1.8 1.1 94.6 27 28 A Y H X S+ 0 0 23 -4,-1.2 4,-2.6 -3,-0.3 5,-0.2 0.940 115.4 49.8 -65.6 -45.1 4.3 0.9 91.7 28 29 A I H X S+ 0 0 41 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.926 110.9 49.4 -60.8 -46.5 6.5 -1.7 93.5 29 30 A E H X S+ 0 0 120 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.894 112.3 47.7 -60.3 -41.0 3.5 -3.9 94.2 30 31 A A H X S+ 0 0 20 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.938 114.3 46.4 -66.4 -46.6 2.3 -3.7 90.6 31 32 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.913 113.3 48.8 -61.2 -46.1 5.7 -4.5 89.2 32 33 A S H X S+ 0 0 29 -4,-2.9 4,-2.3 -5,-0.2 5,-0.2 0.913 110.7 49.8 -65.7 -39.9 6.3 -7.4 91.6 33 34 A A H X S+ 0 0 50 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.916 115.3 44.1 -66.6 -39.1 2.9 -9.0 90.9 34 35 A I H X S+ 0 0 14 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.930 113.9 47.6 -71.9 -45.0 3.5 -8.8 87.1 35 36 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.920 112.0 51.6 -64.7 -37.9 7.1 -10.0 87.1 36 37 A E H X S+ 0 0 87 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.857 106.8 53.8 -64.9 -36.8 6.2 -12.9 89.5 37 38 A T H X S+ 0 0 57 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.938 111.5 45.8 -59.3 -47.1 3.4 -13.9 87.1 38 39 A G H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.892 111.0 51.9 -62.3 -41.6 6.0 -14.0 84.3 39 40 A Q H X S+ 0 0 8 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.892 110.7 48.2 -63.2 -43.3 8.5 -15.9 86.4 40 41 A K H X S+ 0 0 153 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.846 109.9 51.6 -63.7 -40.8 5.8 -18.5 87.2 41 42 A M H <>S+ 0 0 38 -4,-2.0 5,-2.5 2,-0.2 4,-0.4 0.933 111.1 49.3 -61.1 -46.0 4.8 -18.8 83.5 42 43 A L H ><5S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.2 128,-0.3 0.922 110.0 49.8 -58.0 -47.6 8.5 -19.4 82.7 43 44 A E H 3<5S+ 0 0 118 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.839 107.9 54.3 -61.2 -35.5 8.9 -22.0 85.3 44 45 A A T 3<5S- 0 0 76 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.465 124.1-104.3 -78.5 -5.7 5.8 -23.8 84.0 45 46 A G T < 5 + 0 0 43 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.706 63.6 157.2 91.9 20.0 7.3 -23.9 80.5 46 47 A E < - 0 0 81 -5,-2.5 124,-0.4 -6,-0.1 -1,-0.2 -0.379 48.7 -96.2 -70.0 161.5 5.4 -21.1 78.8 47 48 A S > - 0 0 43 1,-0.1 4,-2.3 122,-0.1 5,-0.2 -0.398 23.2-120.0 -78.7 152.8 7.0 -19.6 75.7 48 49 A A H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.883 115.9 56.6 -57.2 -39.5 9.0 -16.4 76.0 49 50 A L H > S+ 0 0 14 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.913 108.8 43.7 -59.4 -46.2 6.6 -14.9 73.5 50 51 A D H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.856 113.3 53.8 -67.9 -34.1 3.5 -15.7 75.7 51 52 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.936 111.8 41.6 -67.3 -46.4 5.4 -14.5 78.8 52 53 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.880 115.0 53.4 -71.2 -31.0 6.3 -11.1 77.3 53 54 A T H X S+ 0 0 8 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.937 112.1 43.4 -64.6 -48.9 2.8 -10.8 75.8 54 55 A E H X S+ 0 0 52 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.900 112.9 51.8 -66.1 -40.7 1.1 -11.5 79.2 55 56 A A H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.952 113.8 44.2 -59.6 -43.8 3.5 -9.2 81.1 56 57 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.894 110.1 55.4 -72.5 -37.6 2.8 -6.3 78.7 57 58 A R H X S+ 0 0 66 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.913 109.5 47.5 -55.1 -47.0 -1.0 -7.1 78.7 58 59 A L H X S+ 0 0 40 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.877 111.4 49.6 -63.8 -41.5 -1.0 -6.7 82.6 59 60 A L H < S+ 0 0 0 -4,-2.1 6,-0.4 2,-0.2 -2,-0.2 0.857 110.4 51.5 -63.0 -40.1 1.0 -3.5 82.4 60 61 A E H < S+ 0 0 0 -4,-2.7 9,-0.9 1,-0.2 7,-0.2 0.939 110.5 49.2 -55.8 -50.1 -1.5 -2.2 79.8 61 62 A E H < S+ 0 0 49 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.823 94.1 86.9 -62.0 -30.8 -4.3 -3.1 82.2 62 63 A C S >< S- 0 0 23 -4,-1.6 3,-1.5 1,-0.1 5,-0.2 -0.572 71.0-150.1 -78.8 119.2 -2.6 -1.3 85.1 63 64 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.615 88.1 75.5 -66.0 -9.9 -3.6 2.4 85.1 64 65 A L T 3 S+ 0 0 19 -38,-0.1 2,-0.3 2,-0.1 6,-0.1 0.740 90.4 65.6 -67.9 -23.6 -0.3 3.3 86.7 65 66 A F S < S- 0 0 0 -3,-1.5 2,-2.0 -6,-0.4 98,-0.1 -0.819 87.1-115.7-117.4 143.7 1.6 2.9 83.4 66 67 A N S S+ 0 0 10 -57,-0.4 115,-0.9 -2,-0.3 116,-0.4 -0.529 85.6 82.1 -78.2 76.5 1.5 4.7 80.1 67 68 A A S S- 0 0 0 -2,-2.0 -2,-0.2 2,-0.3 114,-0.1 -0.839 99.4 -19.6-172.3 140.1 0.2 1.9 77.9 68 69 A G S > S+ 0 0 0 -2,-0.3 3,-1.8 112,-0.2 2,-0.3 -0.281 132.9 21.7 54.7-132.2 -3.4 0.8 77.5 69 70 A I T 3 S+ 0 0 26 -9,-0.9 -4,-0.3 1,-0.3 -2,-0.3 -0.511 132.1 35.1 -64.9 125.0 -5.4 2.0 80.4 70 71 A G T 3 S+ 0 0 0 73,-2.3 -1,-0.3 -2,-0.3 -2,-0.1 0.466 84.8 158.6 99.4 6.4 -3.4 4.9 81.7 71 72 A A < - 0 0 0 -3,-1.8 74,-0.3 72,-0.3 -1,-0.2 -0.277 43.4-108.7 -59.6 146.7 -2.1 6.1 78.3 72 73 A V - 0 0 5 110,-0.2 2,-0.3 1,-0.1 8,-0.3 -0.192 35.2-109.0 -64.7 167.2 -0.9 9.6 78.0 73 74 A F - 0 0 10 75,-0.4 112,-2.8 6,-0.1 113,-0.4 -0.802 20.3-131.5-103.3 143.0 -2.9 12.2 76.0 74 75 A T > - 0 0 0 4,-2.5 3,-2.1 -2,-0.3 113,-0.2 -0.282 43.9 -88.1 -72.4 172.8 -2.1 13.8 72.7 75 76 A R T 3 S+ 0 0 112 111,-2.7 112,-0.1 1,-0.3 -1,-0.1 0.749 131.2 54.5 -48.8 -32.0 -2.3 17.6 72.1 76 77 A D T 3 S- 0 0 87 110,-0.4 -1,-0.3 2,-0.1 3,-0.1 0.275 119.3-108.7 -94.1 9.2 -6.0 17.0 71.2 77 78 A E S < S+ 0 0 75 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.831 82.5 116.6 66.7 36.3 -6.8 15.2 74.5 78 79 A T - 0 0 56 2,-0.0 -4,-2.5 -4,-0.0 2,-0.4 -0.668 63.0-117.2-122.8 174.7 -7.2 11.9 72.7 79 80 A H + 0 0 3 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.1 -0.983 24.6 176.6-122.6 133.4 -5.4 8.6 73.0 80 81 A E - 0 0 34 101,-0.4 2,-0.2 -2,-0.4 20,-0.2 -0.982 19.2-158.4-137.1 118.2 -3.4 6.9 70.2 81 82 A L E -C 99 0A 0 18,-2.9 18,-2.3 -2,-0.4 17,-0.4 -0.656 10.7-169.3-110.0 151.0 -1.6 3.7 71.2 82 83 A D E + D 0 180A 0 98,-2.5 98,-2.5 -2,-0.2 2,-0.3 -0.982 9.4 169.1-133.5 150.7 1.3 1.7 69.8 83 84 A A E -CD 96 179A 0 13,-2.6 13,-1.9 -2,-0.3 2,-0.3 -0.992 10.6-168.1-158.1 159.0 2.8 -1.8 70.5 84 85 A C E -CD 95 178A 0 94,-2.7 94,-2.4 -2,-0.3 2,-0.3 -0.992 1.7-173.0-146.1 147.7 5.3 -4.3 69.2 85 86 A V E -CD 94 177A 0 9,-2.2 9,-2.3 -2,-0.3 2,-0.4 -0.991 7.7-169.8-140.5 140.1 6.1 -8.0 69.8 86 87 A M E -CD 93 176A 0 90,-2.8 90,-1.8 -2,-0.3 2,-0.6 -0.997 14.6-148.1-137.7 134.9 9.0 -9.9 68.4 87 88 A D E > - D 0 175A 27 5,-2.9 4,-1.8 -2,-0.4 5,-0.5 -0.896 4.8-160.5-102.3 115.4 9.8 -13.6 68.5 88 89 A G T 4 S+ 0 0 2 86,-2.6 117,-2.2 -2,-0.6 118,-0.3 0.653 86.5 62.0 -70.5 -18.4 13.6 -14.3 68.6 89 90 A N T 4 S+ 0 0 99 85,-0.4 -1,-0.2 115,-0.2 86,-0.1 0.936 123.6 14.2 -73.5 -49.7 13.1 -17.9 67.4 90 91 A T T 4 S- 0 0 58 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.550 95.7-126.9 -99.9 -11.9 11.5 -17.1 63.9 91 92 A L < + 0 0 26 -4,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.636 60.7 147.7 58.6 24.0 12.4 -13.3 63.9 92 93 A K - 0 0 93 -5,-0.5 -5,-2.9 -6,-0.0 2,-0.3 -0.543 23.6-178.9 -81.2 148.2 8.8 -12.7 63.2 93 94 A A E -C 86 0A 3 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.977 15.9-162.0-144.3 156.0 7.3 -9.6 64.6 94 95 A G E +C 85 0A 0 -9,-2.3 -9,-2.2 -2,-0.3 2,-0.3 -0.995 13.6 173.0-139.4 149.1 4.0 -7.8 64.8 95 96 A A E -Ce 84 120A 1 24,-1.9 26,-2.2 -2,-0.3 2,-0.4 -0.999 15.6-164.2-154.0 146.1 3.2 -4.2 65.5 96 97 A V E -Ce 83 121A 1 -13,-1.9 -13,-2.6 -2,-0.3 2,-0.3 -0.978 11.7-175.5-125.9 146.8 0.3 -1.7 65.6 97 98 A A E + e 0 122A 0 24,-1.4 26,-2.3 -2,-0.4 -15,-0.2 -0.992 61.7 18.6-137.4 152.5 0.5 2.1 65.8 98 99 A G E S+ 0 0 13 -17,-0.4 2,-0.4 -2,-0.3 -16,-0.2 0.802 78.1 153.5 67.6 31.7 -2.0 4.9 66.1 99 100 A V E +C 81 0A 0 -18,-2.3 -18,-2.9 1,-0.1 -1,-0.2 -0.779 18.5 166.4 -98.7 139.1 -4.8 2.7 67.4 100 101 A S S S+ 0 0 20 -2,-0.4 -1,-0.1 -20,-0.2 -21,-0.1 0.485 70.8 53.1-122.8 -11.0 -7.6 4.1 69.6 101 102 A H S S+ 0 0 57 38,-0.1 37,-2.2 39,-0.1 2,-0.5 0.140 84.8 91.6-120.2 16.1 -10.3 1.4 69.7 102 103 A L - 0 0 0 35,-0.2 35,-0.1 1,-0.1 -34,-0.1 -0.968 60.8-153.0-114.7 125.5 -8.3 -1.6 70.8 103 104 A R S S+ 0 0 71 33,-0.5 -34,-0.2 -2,-0.5 -1,-0.1 0.886 87.8 29.6 -63.6 -43.5 -8.1 -2.3 74.5 104 105 A N >> - 0 0 4 1,-0.1 4,-1.5 -36,-0.1 3,-1.2 -0.831 62.1-174.5-126.3 87.7 -4.8 -4.2 74.4 105 106 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -22,-0.2 0.818 85.1 61.5 -51.1 -34.3 -2.4 -3.1 71.7 106 107 A V H 3> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.875 104.2 49.9 -63.7 -31.4 0.1 -5.8 72.5 107 108 A L H <> S+ 0 0 52 -3,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.862 109.8 50.1 -74.8 -35.2 -2.6 -8.4 71.7 108 109 A A H X S+ 0 0 2 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.898 108.0 53.7 -67.0 -41.2 -3.3 -6.7 68.4 109 110 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.907 107.0 51.9 -57.0 -41.8 0.4 -6.8 67.6 110 111 A R H X S+ 0 0 34 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.875 107.9 52.6 -62.2 -40.1 0.4 -10.6 68.3 111 112 A L H X S+ 0 0 21 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.884 106.9 51.1 -61.6 -42.2 -2.5 -10.9 65.9 112 113 A V H X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 6,-0.4 0.936 114.5 45.6 -61.2 -44.3 -0.5 -9.0 63.1 113 114 A M H < S+ 0 0 10 -4,-2.1 3,-0.2 1,-0.2 -2,-0.2 0.947 125.1 28.5 -61.0 -51.9 2.4 -11.4 63.7 114 115 A E H < S+ 0 0 89 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.717 127.8 35.3 -88.6 -25.5 0.5 -14.7 63.8 115 116 A Q H < S+ 0 0 104 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.1 0.094 110.5 54.6-125.8 19.0 -2.6 -14.1 61.6 116 117 A S S < S- 0 0 22 -4,-0.7 13,-0.0 -3,-0.2 0, 0.0 -0.970 73.8-125.8-142.2 164.2 -1.3 -11.8 58.8 117 118 A P S S+ 0 0 101 0, 0.0 2,-0.2 0, 0.0 393,-0.1 0.301 88.1 87.5 -84.2 10.5 1.5 -11.8 56.2 118 119 A H - 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