==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-OCT-05 2B7U . COMPND 2 MOLECULE: CHARYBDIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CHARYBDIS MARITIMA; . AUTHOR R.GESSMANN,K.PETRATOS . 251 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11803.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 1 0.4 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 . 11 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.8 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 0 3 0 0 1 1 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 1 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 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 4 A K 0 0 159 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 107.0 36.3 31.5 13.3 2 5 A A - 0 0 43 1,-0.1 98,-0.2 49,-0.1 97,-0.1 -0.328 360.0-104.4 -68.6 144.1 32.8 32.3 14.4 3 6 A M - 0 0 8 96,-1.9 50,-0.2 50,-0.1 98,-0.2 -0.425 37.3-132.9 -66.4 136.5 32.1 35.7 16.0 4 7 A T E -a 53 0A 54 48,-1.9 50,-1.0 -2,-0.1 2,-0.6 -0.374 10.3-123.7 -84.0 167.9 31.6 35.3 19.7 5 8 A V E -a 54 0A 66 1,-0.1 50,-0.2 48,-0.1 3,-0.1 -0.901 24.9-178.1-114.6 101.1 28.7 37.0 21.6 6 9 A K E - 0 0 90 48,-3.0 2,-0.3 -2,-0.6 49,-0.2 0.849 66.6 -19.3 -64.8 -36.9 30.1 39.2 24.4 7 10 A F E - 0 0 40 47,-0.4 49,-2.5 2,-0.0 2,-0.4 -0.968 57.0-128.5-163.6 167.2 26.7 40.2 25.7 8 11 A T E -a 56 0A 80 -2,-0.3 2,-0.4 47,-0.2 49,-0.2 -0.990 15.2-169.0-127.2 134.6 23.0 40.5 24.9 9 12 A V E -a 57 0A 23 47,-2.4 49,-3.1 -2,-0.4 2,-0.4 -0.956 9.8-159.5-119.1 147.6 20.7 43.5 25.3 10 13 A E E -a 58 0A 115 -2,-0.4 2,-0.4 47,-0.2 49,-0.2 -0.980 9.6-177.6-134.3 135.0 16.9 43.3 24.9 11 14 A L E -a 59 0A 8 47,-2.6 49,-2.2 -2,-0.4 2,-0.5 -0.996 17.7-146.5-132.7 130.2 14.3 45.9 24.2 12 15 A D E -a 60 0A 58 -2,-0.4 3,-0.2 47,-0.2 49,-0.2 -0.865 9.1-160.5 -92.5 130.7 10.5 45.6 24.0 13 16 A I S > S+ 0 0 0 47,-2.9 3,-1.1 -2,-0.5 48,-0.2 0.692 72.2 79.3 -84.1 -21.3 9.1 48.0 21.4 14 17 A E T 3 S+ 0 0 89 46,-0.4 -1,-0.2 1,-0.3 47,-0.1 0.892 105.3 27.9 -60.9 -47.0 5.4 48.2 22.6 15 18 A R T 3 S+ 0 0 125 -3,-0.2 -1,-0.3 2,-0.0 5,-0.1 0.245 90.6 144.7 -95.7 11.6 5.8 50.7 25.5 16 19 A L < + 0 0 0 -3,-1.1 2,-0.3 4,-0.1 -3,-0.1 -0.237 23.1 178.6 -60.6 131.8 8.9 52.4 23.9 17 20 A T > - 0 0 41 1,-0.1 4,-2.6 113,-0.0 5,-0.3 -0.818 45.1-101.0-123.7 169.9 9.1 56.1 24.5 18 21 A G H > S+ 0 0 7 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.908 123.7 47.8 -52.3 -44.6 11.7 58.8 23.4 19 22 A Q H > S+ 0 0 135 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.919 112.7 44.8 -68.0 -45.0 13.1 58.7 26.9 20 23 A T H > S+ 0 0 35 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.836 113.1 51.7 -73.8 -29.5 13.4 54.9 27.2 21 24 A Y H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.939 110.9 48.6 -64.3 -48.8 14.8 54.6 23.7 22 25 A T H X S+ 0 0 31 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.911 110.5 51.2 -57.6 -44.9 17.4 57.2 24.7 23 26 A D H X S+ 0 0 80 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.909 109.6 51.0 -56.5 -44.3 18.2 55.3 27.9 24 27 A F H X S+ 0 0 23 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.931 110.7 46.8 -62.3 -45.0 18.7 52.1 25.9 25 28 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.921 112.1 50.8 -64.7 -42.6 21.1 53.7 23.5 26 29 A K H X S+ 0 0 119 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.922 112.2 47.3 -61.6 -43.6 23.1 55.3 26.3 27 30 A N H X S+ 0 0 101 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.884 109.1 54.1 -65.0 -36.9 23.3 52.0 28.1 28 31 A L H X S+ 0 0 4 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.909 105.7 52.9 -65.4 -41.5 24.4 50.2 24.9 29 32 A R H X S+ 0 0 33 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.916 110.1 48.1 -57.5 -43.6 27.2 52.7 24.4 30 33 A R H < S+ 0 0 186 -4,-1.7 3,-0.4 1,-0.2 -1,-0.2 0.893 110.3 52.0 -62.9 -40.5 28.5 51.9 27.9 31 34 A S H < S+ 0 0 51 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.815 111.6 47.7 -65.8 -32.0 28.2 48.2 27.3 32 35 A L H < S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.674 89.9 109.8 -81.5 -22.6 30.2 48.5 24.1 33 36 A A < + 0 0 16 -4,-1.1 10,-0.2 -3,-0.4 3,-0.1 -0.239 34.6 173.9 -61.7 143.0 33.0 50.6 25.6 34 37 A T S S- 0 0 44 8,-2.7 2,-0.2 1,-0.5 9,-0.2 0.688 76.2 -14.4-104.2 -41.8 36.6 49.4 26.2 35 38 A W E S-F 42 0B 84 7,-1.1 7,-2.9 5,-0.1 -1,-0.5 -0.817 71.4-114.0-150.4 179.8 38.0 52.8 27.2 36 39 A Y E -F 41 0B 112 5,-0.2 2,-0.5 -2,-0.2 7,-0.0 -0.977 10.0-163.3-133.6 141.9 37.0 56.5 27.1 37 40 A L E > S-F 40 0B 9 3,-2.7 3,-2.2 -2,-0.4 -2,-0.0 -0.972 85.9 -25.4-122.1 109.8 38.1 59.6 25.4 38 41 A H T 3 S- 0 0 143 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.875 128.5 -49.0 51.7 41.9 36.8 62.9 26.9 39 42 A G T 3 S+ 0 0 67 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.340 115.8 115.8 83.2 -2.9 33.8 60.9 28.2 40 43 A V E < -F 37 0B 12 -3,-2.2 -3,-2.7 197,-0.0 -1,-0.2 -0.852 68.0-116.9-102.1 129.6 33.0 59.2 24.9 41 44 A P E -F 36 0B 9 0, 0.0 197,-2.1 0, 0.0 2,-0.4 -0.326 20.9-150.0 -67.3 146.5 33.4 55.4 24.7 42 45 A V E -Fg 35 238B 0 -7,-2.9 -8,-2.7 195,-0.2 -7,-1.1 -0.953 17.2-126.9-115.5 132.0 35.9 53.9 22.3 43 46 A L - 0 0 0 195,-2.7 30,-0.1 -2,-0.4 -10,-0.1 -0.302 35.7 -86.1 -74.6 158.7 35.3 50.4 20.8 44 47 A P + 0 0 0 0, 0.0 196,-0.4 0, 0.0 -1,-0.1 -0.266 56.4 143.6 -60.8 150.1 37.7 47.5 21.0 45 48 A L + 0 0 24 194,-0.1 3,-0.1 196,-0.1 -2,-0.0 0.151 46.6 91.9 174.3 59.1 40.5 47.0 18.5 46 49 A Y S S+ 0 0 115 2,-0.1 2,-0.1 199,-0.0 199,-0.0 0.567 83.8 74.9 -99.8 -46.7 43.6 45.6 20.1 47 50 A N + 0 0 18 1,-0.1 2,-0.2 4,-0.1 6,-0.1 -0.384 68.8 144.1 -54.1 142.8 42.0 42.3 19.1 48 51 A Q + 0 0 77 -2,-0.1 2,-0.6 -3,-0.1 3,-0.4 -0.738 36.3 38.8-159.3-164.5 42.4 41.7 15.3 49 52 A E S S+ 0 0 177 1,-0.2 -2,-0.0 -2,-0.2 2,-0.0 -0.078 125.2 9.2 50.4 -88.1 42.9 39.0 12.6 50 53 A A S S+ 0 0 65 -2,-0.6 -1,-0.2 1,-0.1 -48,-0.0 -0.422 105.2 88.4-127.9 53.4 40.9 36.0 14.0 51 54 A D + 0 0 60 -3,-0.4 2,-0.4 2,-0.1 -1,-0.1 -0.400 49.2 179.4-144.9 64.6 38.9 37.4 16.9 52 55 A P - 0 0 24 0, 0.0 -48,-1.9 0, 0.0 2,-0.4 -0.595 13.9-161.8 -67.9 120.7 35.6 38.7 15.6 53 56 A R E +a 4 0A 33 -2,-0.4 19,-2.6 -50,-0.2 20,-0.6 -0.894 15.8 168.2-104.8 137.8 33.7 39.9 18.7 54 57 A G E -aB 5 71A 0 -50,-1.0 -48,-3.0 -2,-0.4 -47,-0.4 -0.787 21.8-149.1-136.5 179.4 30.0 40.5 18.5 55 58 A F E - B 0 70A 4 15,-2.1 15,-2.7 -50,-0.2 2,-0.4 -0.959 20.2-121.0-144.3 161.6 26.9 41.2 20.7 56 59 A D E -aB 8 69A 13 -49,-2.5 -47,-2.4 -2,-0.3 2,-0.5 -0.885 12.2-160.3-110.2 139.7 23.2 40.3 20.3 57 60 A L E -aB 9 68A 0 11,-2.7 11,-2.7 -2,-0.4 2,-0.5 -0.968 10.8-162.6-117.6 110.0 20.3 42.7 20.2 58 61 A K E -aB 10 67A 74 -49,-3.1 -47,-2.6 -2,-0.5 2,-0.5 -0.849 6.8-171.5 -99.9 123.5 17.0 41.1 21.0 59 62 A L E -aB 11 66A 0 7,-2.8 7,-2.0 -2,-0.5 2,-0.4 -0.968 3.3-174.4-119.9 130.8 13.9 43.0 20.0 60 63 A T E +aB 12 65A 17 -49,-2.2 -47,-2.9 -2,-0.5 -46,-0.4 -0.950 11.4 175.0-129.3 142.6 10.4 42.0 21.0 61 64 A F E > S- B 0 64A 13 3,-2.7 3,-1.9 -2,-0.4 -49,-0.0 -0.856 73.1 -31.1-148.2 113.1 7.0 43.3 20.1 62 65 A R T 3 S- 0 0 164 -2,-0.3 3,-0.1 1,-0.3 -50,-0.0 0.878 127.3 -41.1 48.0 48.4 3.7 41.7 21.3 63 66 A G T 3 S+ 0 0 54 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.389 115.4 114.9 86.8 -5.9 5.2 38.2 21.4 64 67 A Q E < -B 61 0A 62 -3,-1.9 -3,-2.7 2,-0.0 2,-0.4 -0.820 44.5-178.8 -96.7 138.4 7.1 38.6 18.1 65 68 A V E +B 60 0A 37 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.989 19.8 175.5-144.4 144.1 10.9 38.4 18.4 66 69 A T E -B 59 0A 1 -7,-2.0 -7,-2.8 -2,-0.4 2,-0.4 -0.976 16.2-150.0-139.2 154.4 14.1 38.7 16.5 67 70 A T E -BC 58 81A 14 14,-0.7 14,-2.4 -2,-0.3 2,-0.4 -0.999 11.0-159.8-122.2 129.5 17.7 38.7 17.6 68 71 A V E -BC 57 80A 0 -11,-2.7 -11,-2.7 -2,-0.4 2,-0.5 -0.899 7.7-146.4-110.0 135.9 20.3 40.6 15.6 69 72 A R E -BC 56 79A 40 10,-2.7 9,-2.8 -2,-0.4 10,-1.5 -0.892 22.8-176.6-105.9 126.9 24.0 39.8 15.8 70 73 A I E -BC 55 77A 2 -15,-2.7 -15,-2.1 -2,-0.5 7,-0.2 -0.963 31.2-106.2-127.9 142.0 26.3 42.8 15.4 71 74 A H E > -B 54 0A 15 5,-2.8 4,-1.6 -2,-0.4 -17,-0.3 -0.458 22.4-151.0 -66.2 132.5 30.1 43.3 15.3 72 75 A R T 4 S+ 0 0 26 -19,-2.6 -18,-0.2 -2,-0.2 -1,-0.1 0.710 91.1 50.3 -80.7 -21.0 31.3 44.9 18.5 73 76 A D T 4 S+ 0 0 29 -20,-0.6 167,-0.4 -30,-0.1 -1,-0.2 0.795 129.5 13.3 -90.0 -31.3 34.3 46.6 16.9 74 77 A D T 4 S- 0 0 46 2,-0.1 -2,-0.2 165,-0.1 3,-0.1 0.447 91.9-124.4-125.2 3.4 32.6 48.3 14.0 75 78 A L < + 0 0 3 -4,-1.6 2,-0.4 1,-0.2 -3,-0.1 0.672 55.7 153.6 59.3 26.5 28.8 48.1 14.8 76 79 A V - 0 0 32 -5,-0.1 -5,-2.8 1,-0.1 -1,-0.2 -0.656 48.5-118.2 -86.9 132.7 28.1 46.4 11.5 77 80 A L E +C 70 0A 7 -2,-0.4 -7,-0.2 -7,-0.2 3,-0.1 -0.494 34.9 174.3 -68.4 132.0 25.1 44.1 11.4 78 81 A R E - 0 0 12 -9,-2.8 13,-2.6 1,-0.4 2,-0.3 0.698 53.1 -30.8-113.1 -27.5 26.1 40.5 10.6 79 82 A G E -CD 69 90A 0 -10,-1.5 -10,-2.7 11,-0.3 -1,-0.4 -0.988 46.3-139.8-175.5 175.1 22.9 38.4 10.9 80 83 A Y E -CD 68 89A 0 9,-2.2 9,-2.8 -2,-0.3 2,-0.5 -0.983 17.9-121.4-152.1 160.3 19.6 37.8 12.5 81 84 A Q E -CD 67 88A 59 -14,-2.4 -14,-0.7 -2,-0.3 7,-0.2 -0.903 17.5-136.5-110.5 131.5 17.5 34.9 13.8 82 85 A M - 0 0 24 5,-2.8 4,-0.5 -2,-0.5 59,-0.2 -0.483 17.0-132.7 -78.0 154.1 14.0 33.9 12.7 83 86 A Q S S+ 0 0 79 58,-2.1 59,-0.1 -18,-0.2 -1,-0.1 0.848 89.8 59.4 -79.8 -38.8 11.4 33.1 15.5 84 87 A G S S+ 0 0 78 57,-0.7 -1,-0.1 1,-0.2 58,-0.1 0.965 128.6 2.3 -61.6 -64.9 9.9 29.8 14.3 85 88 A A S S- 0 0 103 2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.547 97.5-113.2-101.0 -11.3 12.8 27.4 14.0 86 89 A G + 0 0 24 -4,-0.5 2,-0.2 1,-0.2 -3,-0.1 0.737 53.4 173.3 80.4 24.6 15.6 29.8 15.2 87 90 A K - 0 0 63 -6,-0.1 -5,-2.8 1,-0.1 2,-0.4 -0.481 24.0-137.9 -68.8 131.4 17.2 29.8 11.8 88 91 A W E -D 81 0A 35 14,-0.3 16,-2.3 -7,-0.2 2,-0.4 -0.803 13.4-163.3 -93.2 132.3 20.1 32.2 11.4 89 92 A L E -De 80 104A 0 -9,-2.8 -9,-2.2 -2,-0.4 2,-0.4 -0.943 10.0-158.6-110.3 139.6 20.5 34.4 8.3 90 93 A E E -De 79 105A 1 14,-2.4 16,-2.9 -2,-0.4 -11,-0.3 -0.969 12.7-127.8-127.9 135.7 23.8 36.0 7.7 91 94 A L - 0 0 1 -13,-2.6 18,-0.3 -2,-0.4 16,-0.1 -0.489 36.1-102.8 -78.7 143.1 24.8 39.1 5.6 92 95 A E S S+ 0 0 81 16,-2.4 -1,-0.1 -2,-0.2 3,-0.1 -0.179 88.1 52.7 -60.4 162.6 27.6 38.7 3.0 93 96 A R S S+ 0 0 150 1,-0.2 -1,-0.1 16,-0.1 -15,-0.0 -0.980 77.8 86.3 115.6-104.3 31.1 40.1 3.6 94 97 A P 0 0 27 0, 0.0 5,-0.3 0, 0.0 -1,-0.2 0.346 360.0 360.0 -30.2 143.9 32.7 38.8 6.9 95 98 A S 0 0 60 3,-0.1 3,-0.3 4,-0.1 -3,-0.0 -0.751 360.0 360.0-111.3 360.0 34.6 35.5 7.2 96 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 97 102 A G 0 0 90 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-179.1 33.3 31.2 5.8 98 103 A H - 0 0 83 -3,-0.3 -3,-0.1 1,-0.2 3,-0.1 -0.464 360.0-163.4 -75.0 127.2 30.3 31.7 8.1 99 104 A L S S+ 0 0 6 -5,-0.3 -96,-1.9 -2,-0.3 2,-0.5 0.661 89.4 52.0 -75.9 -20.2 30.7 34.1 11.0 100 105 A I S > S- 0 0 2 -98,-0.2 3,-2.0 -22,-0.1 -1,-0.2 -0.965 97.6-123.8-118.2 112.2 27.5 32.5 12.4 101 106 A E T 3 S+ 0 0 175 -2,-0.5 -13,-0.1 1,-0.3 -2,-0.1 -0.301 91.5 9.3 -61.0 131.1 27.6 28.7 12.6 102 107 A G T 3 S+ 0 0 76 1,-0.2 -1,-0.3 -15,-0.1 -14,-0.3 0.471 94.9 144.7 84.1 3.6 24.8 27.1 10.7 103 108 A S < - 0 0 11 -3,-2.0 2,-0.5 -16,-0.1 -1,-0.2 -0.288 49.1-129.4 -74.5 158.7 23.5 30.2 9.0 104 109 A E E -e 89 0A 100 -16,-2.3 -14,-2.4 -2,-0.0 2,-0.3 -0.920 31.0-121.3-102.4 127.9 22.1 30.7 5.6 105 110 A L E -e 90 0A 86 -2,-0.5 -14,-0.2 -16,-0.2 2,-0.1 -0.604 20.6-137.1 -76.3 133.6 23.7 33.5 3.6 106 111 A L - 0 0 10 -16,-2.9 -14,-0.1 -2,-0.3 -1,-0.1 -0.345 24.1-110.8 -76.7 164.3 21.5 36.4 2.4 107 112 A E S S+ 0 0 160 -2,-0.1 2,-0.3 -16,-0.1 -16,-0.1 0.122 94.5 52.0 -87.2 21.8 21.9 37.8 -1.1 108 113 A F S S- 0 0 5 -18,-0.2 -16,-2.4 9,-0.0 -2,-0.2 -0.987 70.3-130.3-154.7 156.6 23.3 41.1 0.3 109 114 A G - 0 0 0 -2,-0.3 -16,-0.1 -18,-0.3 -31,-0.1 -0.403 40.5 -95.7 -95.6 179.5 25.9 42.6 2.6 110 115 A P S S+ 0 0 20 0, 0.0 -33,-0.2 0, 0.0 -17,-0.1 0.490 84.3 111.9 -78.4 -6.1 25.4 45.2 5.4 111 116 A S S > S- 0 0 31 1,-0.1 4,-2.8 -35,-0.1 5,-0.2 -0.397 74.1-126.6 -70.4 148.8 26.3 48.3 3.3 112 117 A Y H > S+ 0 0 27 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.813 109.5 60.1 -66.8 -28.1 23.4 50.6 2.6 113 118 A E H > S+ 0 0 172 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.934 112.7 38.6 -58.8 -47.0 24.1 50.5 -1.1 114 119 A E H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.892 117.8 48.4 -73.5 -40.3 23.5 46.7 -1.0 115 120 A L H X S+ 0 0 4 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.910 111.1 50.3 -66.4 -43.6 20.6 46.9 1.5 116 121 A A H X>S+ 0 0 17 -4,-2.8 5,-1.8 2,-0.2 4,-1.1 0.891 111.0 49.3 -61.3 -40.8 18.8 49.6 -0.5 117 122 A A H <5S+ 0 0 67 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.913 114.2 44.8 -63.8 -43.8 19.1 47.6 -3.7 118 123 A A H <5S+ 0 0 17 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.884 116.6 46.1 -66.3 -39.3 17.8 44.4 -2.0 119 124 A A H <5S- 0 0 3 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.679 100.2-140.6 -72.5 -15.4 15.1 46.5 -0.3 120 125 A Q T <5S+ 0 0 132 -4,-1.1 2,-0.3 -5,-0.2 -3,-0.2 0.872 72.7 96.8 50.0 41.5 14.4 48.2 -3.7 121 126 A Q S - 0 0 100 -2,-0.3 3,-1.7 1,-0.1 4,-0.3 -0.424 22.5-125.7 -76.3 145.2 16.2 54.3 -0.6 123 128 A I G > S+ 0 0 7 1,-0.3 3,-1.1 2,-0.2 62,-0.2 0.881 113.0 53.1 -54.9 -39.1 17.5 54.7 2.9 124 129 A L G 3 S+ 0 0 40 1,-0.2 -1,-0.3 60,-0.1 61,-0.1 0.564 104.3 55.9 -75.7 -8.1 16.1 58.3 2.9 125 130 A D G < S+ 0 0 108 -3,-1.7 2,-0.3 59,-0.1 -1,-0.2 0.280 89.2 93.8-107.0 7.2 12.6 57.0 1.8 126 131 A I S < S- 0 0 3 -3,-1.1 59,-0.3 -4,-0.3 2,-0.3 -0.780 75.2-122.9-101.5 144.9 12.2 54.6 4.7 127 132 A S - 0 0 20 -2,-0.3 57,-0.2 57,-0.1 -2,-0.1 -0.694 18.5-169.2 -92.9 142.3 10.4 55.6 7.9 128 133 A Y + 0 0 1 55,-2.4 2,-0.2 -2,-0.3 48,-0.1 -0.339 43.2 114.3-126.6 46.3 12.2 55.3 11.3 129 134 A N S > S- 0 0 6 49,-0.1 4,-2.0 54,-0.1 5,-0.2 -0.441 83.3 -86.7-103.7-173.4 9.5 55.7 13.9 130 135 A K H > S+ 0 0 26 47,-2.5 4,-2.5 1,-0.2 5,-0.2 0.906 127.9 53.8 -62.5 -42.3 8.1 53.3 16.6 131 136 A N H > S+ 0 0 75 46,-0.4 4,-2.2 48,-0.4 -1,-0.2 0.902 108.8 49.8 -59.1 -39.4 5.5 52.0 14.1 132 137 A A H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.877 110.2 50.0 -68.1 -37.6 8.4 51.2 11.6 133 138 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.899 109.1 52.2 -67.3 -38.6 10.4 49.4 14.3 134 139 A Q H X S+ 0 0 23 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.942 111.0 47.4 -60.6 -46.1 7.4 47.4 15.2 135 140 A D H X S+ 0 0 89 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.876 108.3 56.6 -62.9 -38.7 6.9 46.4 11.6 136 141 A A H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.921 107.7 45.6 -62.2 -45.0 10.6 45.5 11.3 137 142 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.934 111.8 53.4 -67.3 -36.9 10.6 43.0 14.2 138 143 A S H X S+ 0 0 25 -4,-2.1 4,-1.0 -5,-0.2 5,-0.2 0.926 113.3 42.9 -58.6 -44.7 7.4 41.5 12.8 139 144 A K H >X S+ 0 0 83 -4,-2.5 4,-3.3 1,-0.2 3,-0.6 0.925 113.2 50.1 -70.1 -43.6 8.9 41.0 9.4 140 145 A L H 3< S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.885 104.0 61.2 -64.7 -33.4 12.3 39.7 10.6 141 146 A A H 3< S- 0 0 2 -4,-2.4 -58,-2.1 -5,-0.2 -57,-0.7 0.853 130.9 -4.1 -56.8 -37.4 10.5 37.2 12.9 142 147 A V H << S+ 0 0 98 -4,-1.0 -2,-0.2 -3,-0.6 -3,-0.1 0.583 92.6 115.9-135.9 -18.9 8.9 35.4 9.9 143 148 A S < - 0 0 14 -4,-3.3 -4,-0.0 -5,-0.2 -61,-0.0 -0.386 30.0-176.9 -73.9 140.9 9.4 36.9 6.5 144 149 A T + 0 0 113 -2,-0.1 2,-0.5 5,-0.0 -1,-0.1 0.207 53.4 113.1-107.6 12.3 11.3 34.9 3.7 145 150 A N > - 0 0 78 1,-0.1 4,-2.4 -6,-0.1 5,-0.2 -0.735 63.5-144.5 -91.0 126.3 10.9 37.9 1.3 146 151 A T H > S+ 0 0 52 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.894 98.5 49.5 -56.6 -48.4 14.2 39.6 0.4 147 152 A R H > S+ 0 0 136 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.926 112.4 47.4 -56.2 -49.9 12.7 43.1 0.2 148 153 A D H > S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.889 114.6 47.5 -59.8 -42.9 11.0 42.8 3.6 149 154 A R H X S+ 0 0 17 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.952 114.3 44.9 -65.5 -48.9 14.1 41.5 5.2 150 155 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.916 113.7 49.5 -64.6 -42.3 16.4 44.1 3.8 151 156 A R H X S+ 0 0 70 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.934 112.2 48.5 -62.2 -44.0 14.0 47.0 4.6 152 157 A S H X S+ 0 0 6 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.874 108.7 52.7 -65.3 -39.6 13.7 45.8 8.1 153 158 A L H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.853 106.2 55.2 -65.2 -32.5 17.4 45.4 8.5 154 159 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.938 107.9 48.8 -61.7 -46.5 17.8 49.0 7.4 155 160 A V H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.945 114.4 44.6 -60.9 -46.6 15.4 50.2 10.1 156 161 A V H X>S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 5,-0.9 0.947 113.9 49.9 -63.2 -45.2 17.3 48.2 12.8 157 162 A S H <>S+ 0 0 9 -4,-3.0 5,-2.5 3,-0.2 4,-0.5 0.917 115.5 43.5 -58.8 -45.1 20.7 49.4 11.5 158 163 A Q H <>S+ 0 0 0 -4,-2.8 5,-1.4 3,-0.2 -2,-0.2 0.957 117.6 43.0 -66.9 -49.7 19.6 53.0 11.5 159 164 A M H <5S+ 0 0 0 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.691 131.5 19.7 -78.6 -15.9 17.8 53.1 14.8 160 165 A F T X5S+ 0 0 2 -4,-2.1 4,-1.8 -5,-0.2 -3,-0.2 0.743 130.3 35.3-114.8 -51.4 20.3 51.1 16.8 161 166 A C H > S+ 0 0 47 67,-1.7 4,-2.4 -2,-0.4 5,-0.2 0.888 100.3 50.3 -52.8 -47.6 24.4 61.9 19.2 168 173 A D H > S+ 0 0 50 66,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.800 110.1 50.7 -70.2 -29.9 22.3 63.9 16.7 169 174 A I H > S+ 0 0 0 -3,-0.3 4,-2.4 -7,-0.2 5,-0.2 0.937 110.4 48.3 -72.6 -48.4 20.9 60.7 15.1 170 175 A A H X S+ 0 0 5 -4,-2.3 4,-2.1 -7,-0.5 -2,-0.2 0.922 113.8 48.6 -54.4 -45.7 19.8 59.2 18.5 171 176 A N H X S+ 0 0 56 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.921 109.4 52.3 -59.9 -45.9 18.2 62.5 19.3 172 177 A H H X S+ 0 0 37 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.909 112.8 43.1 -61.0 -43.9 16.4 62.7 16.0 173 178 A F H < S+ 0 0 0 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.861 114.7 51.0 -73.0 -31.3 14.9 59.3 16.4 174 179 A A H >< S+ 0 0 7 -4,-2.1 3,-0.8 -5,-0.2 4,-0.4 0.916 109.2 49.3 -69.0 -42.4 14.0 59.8 20.1 175 180 A F H 3< S+ 0 0 153 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.744 121.1 35.1 -72.7 -23.9 12.2 63.1 19.5 176 181 A N T >< S+ 0 0 60 -4,-1.0 3,-1.4 -5,-0.2 -1,-0.2 0.312 87.3 107.5-111.4 4.8 10.1 61.7 16.6 177 182 A L T < S+ 0 0 1 -3,-0.8 -47,-2.5 -4,-0.4 -46,-0.4 0.858 79.8 41.2 -62.2 -46.3 9.6 58.2 17.9 178 183 A E T 3 S+ 0 0 126 -4,-0.4 -1,-0.3 -49,-0.1 -2,-0.1 0.362 86.1 127.9 -88.8 7.4 5.9 58.2 19.0 179 184 A S < - 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