==== 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 08-JUL-09 3I7M . COMPND 2 MOLECULE: XAA-PRO DIPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS BREVIS; . AUTHOR J.OSIPIUK,X.XU,H.CUI,J.NG,A.SAVCHENKO,A.M.EDWARDS,A.JOACHIMI . 134 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7112.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 6.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 7 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.2 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 0 1 1 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 T > 0 0 105 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 160.4 16.5 6.8 -3.9 2 3 A K H > + 0 0 85 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.920 360.0 49.9 -53.2 -44.6 17.9 7.1 -0.3 3 4 A L H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.894 108.8 50.7 -64.2 -40.8 15.1 4.8 0.8 4 5 A E H > S+ 0 0 115 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.880 106.8 55.5 -65.5 -34.7 15.8 2.3 -1.9 5 6 A Q H X S+ 0 0 90 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.916 110.3 45.5 -59.5 -42.7 19.4 2.2 -0.8 6 7 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.893 111.6 51.6 -68.2 -39.7 18.3 1.3 2.7 7 8 A Q H X S+ 0 0 56 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.926 110.4 49.3 -59.9 -42.2 15.9 -1.2 1.5 8 9 A Q H X S+ 0 0 116 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.915 110.6 49.5 -63.0 -43.4 18.7 -2.8 -0.6 9 10 A W H X S+ 0 0 19 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.918 109.6 52.9 -59.6 -45.4 21.1 -2.8 2.4 10 11 A T H <>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 3,-0.2 0.930 112.2 44.3 -57.8 -48.7 18.3 -4.5 4.5 11 12 A A H ><5S+ 0 0 49 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.939 110.5 54.4 -64.0 -42.0 17.8 -7.2 1.8 12 13 A Q H 3<5S+ 0 0 112 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.785 109.2 48.8 -62.9 -26.7 21.6 -7.7 1.4 13 14 A H T 3<5S- 0 0 70 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.277 112.3-119.6 -95.4 7.1 21.9 -8.3 5.1 14 15 A H T < 5 + 0 0 156 -3,-1.9 84,-0.4 1,-0.2 2,-0.4 0.848 59.0 158.5 61.2 33.5 19.1 -10.8 5.2 15 16 A A < - 0 0 5 -5,-2.4 -1,-0.2 -6,-0.2 84,-0.2 -0.737 45.2-146.2 -89.8 139.3 17.2 -8.5 7.6 16 17 A S S S- 0 0 30 82,-2.8 2,-0.3 -2,-0.4 83,-0.2 0.773 81.1 -18.7 -67.6 -31.3 13.5 -8.7 8.0 17 18 A X E -a 99 0A 0 81,-0.9 83,-2.1 29,-0.2 2,-0.4 -0.960 57.0-127.0-167.5 160.7 13.3 -5.0 8.6 18 19 A T E -aB 100 45A 0 27,-2.8 27,-2.9 -2,-0.3 2,-0.6 -0.994 18.5-155.9-115.8 130.4 15.4 -2.0 9.6 19 20 A Y E -aB 101 44A 4 81,-3.0 83,-0.6 -2,-0.4 2,-0.5 -0.932 9.6-163.3-110.4 109.4 14.2 0.2 12.5 20 21 A L E + B 0 43A 0 23,-2.9 23,-2.5 -2,-0.6 81,-0.0 -0.845 23.9 155.8 -98.6 127.5 15.5 3.8 12.2 21 22 A S + 0 0 12 -2,-0.5 20,-0.2 21,-0.2 -1,-0.1 0.387 34.7 110.0-125.4 -13.7 15.3 5.9 15.4 22 23 A N >> - 0 0 44 1,-0.2 4,-2.3 14,-0.0 3,-0.6 -0.678 59.4-147.8 -74.7 119.4 18.0 8.5 15.1 23 24 A P H 3> S+ 0 0 18 0, 0.0 4,-2.6 0, 0.0 11,-0.2 0.827 99.6 56.4 -57.9 -31.5 16.3 11.9 14.6 24 25 A K H 3> S+ 0 0 148 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.878 108.2 47.3 -64.9 -37.9 19.3 13.0 12.4 25 26 A T H <> S+ 0 0 5 -3,-0.6 4,-2.0 2,-0.2 5,-0.2 0.933 111.7 49.3 -67.9 -43.8 18.7 10.0 10.2 26 27 A I H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 6,-0.5 0.924 112.1 49.0 -62.3 -39.3 15.0 10.6 9.9 27 28 A E H X S+ 0 0 80 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.891 109.5 52.4 -64.7 -44.3 15.7 14.3 9.0 28 29 A Y H < S+ 0 0 102 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.881 116.5 39.4 -58.8 -37.2 18.2 13.2 6.4 29 30 A L H < S+ 0 0 21 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.762 135.9 13.6 -87.1 -23.9 15.7 10.8 4.8 30 31 A T H < S- 0 0 20 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.562 89.8-117.4-126.9 -17.4 12.6 13.1 5.1 31 32 A G < + 0 0 54 -4,-2.7 2,-0.7 -5,-0.4 -4,-0.2 0.367 69.5 135.6 80.1 -0.4 13.4 16.7 6.0 32 33 A F - 0 0 16 -6,-0.5 2,-0.4 31,-0.1 -1,-0.3 -0.676 44.8-153.1 -85.8 114.8 11.5 16.3 9.2 33 34 A G + 0 0 42 -2,-0.7 2,-0.3 -3,-0.1 -9,-0.1 -0.712 24.8 151.8 -99.6 135.3 13.8 17.9 11.8 34 35 A S - 0 0 24 -2,-0.4 -7,-0.1 -11,-0.2 3,-0.0 -0.982 33.8-133.2-158.3 172.2 13.8 16.9 15.4 35 36 A D - 0 0 106 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.752 55.9 -64.1-120.5 165.7 15.6 16.6 18.7 36 37 A P - 0 0 113 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.280 60.2-172.9 -56.3 133.7 15.7 13.7 21.2 37 38 A I - 0 0 55 2,-0.3 4,-0.1 1,-0.1 -3,-0.0 -0.878 36.7-130.4-125.3 158.0 12.2 13.1 22.6 38 39 A E S S+ 0 0 175 -2,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.860 92.1 76.5 -73.7 -29.4 10.8 10.9 25.3 39 40 A R S S- 0 0 109 1,-0.1 2,-0.6 -3,-0.1 -2,-0.3 0.002 93.8 -94.5 -76.1-178.2 8.2 9.8 22.9 40 41 A V + 0 0 7 35,-0.1 2,-0.4 2,-0.0 35,-0.1 -0.869 41.0 166.9-111.6 118.1 8.7 7.3 20.0 41 42 A L + 0 0 19 -2,-0.6 2,-0.3 14,-0.2 14,-0.2 -1.000 17.3 161.7-125.0 124.7 9.5 8.4 16.4 42 43 A A E - C 0 54A 0 12,-2.8 12,-2.8 -2,-0.4 2,-0.4 -0.988 33.9-149.8-145.4 156.4 10.6 5.7 14.0 43 44 A L E -BC 20 53A 0 -23,-2.5 -23,-2.9 -2,-0.3 2,-0.5 -0.996 21.1-159.3-126.9 117.2 11.1 5.0 10.3 44 45 A V E -BC 19 52A 0 8,-2.9 8,-1.8 -2,-0.4 2,-0.4 -0.898 7.1-170.0-107.6 125.6 10.7 1.3 9.4 45 46 A V E -B 18 0A 3 -27,-2.9 -27,-2.8 -2,-0.5 5,-0.1 -0.918 2.9-160.6-120.1 137.8 12.2 -0.0 6.2 46 47 A F - 0 0 0 3,-0.6 3,-0.2 -2,-0.4 -29,-0.2 -0.834 24.7-125.8-114.8 160.5 11.6 -3.5 4.7 47 48 A P S S+ 0 0 30 0, 0.0 -36,-0.2 0, 0.0 -30,-0.1 0.752 104.8 17.4 -75.7 -21.8 13.6 -5.3 2.1 48 49 A D S S+ 0 0 125 2,-0.1 2,-0.3 -37,-0.0 -40,-0.0 0.146 119.1 43.4-143.4 21.6 10.7 -5.9 -0.3 49 50 A Q S S- 0 0 58 -3,-0.2 -3,-0.6 -42,-0.0 43,-0.0 -0.943 90.0 -61.9-162.6 171.8 7.8 -3.6 0.5 50 51 A D - 0 0 100 -2,-0.3 -2,-0.1 -5,-0.1 2,-0.1 -0.245 47.0-128.5 -68.2 148.4 7.0 0.0 1.4 51 52 A P - 0 0 10 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.248 19.1-156.3 -81.4 177.0 8.3 1.7 4.6 52 53 A F E -C 44 0A 0 -8,-1.8 -8,-2.9 18,-0.2 2,-0.4 -0.983 11.2-133.2-148.1 159.0 6.3 3.6 7.2 53 54 A I E -Cd 43 72A 1 18,-2.3 20,-2.9 -2,-0.3 2,-0.4 -0.916 14.4-159.5-107.7 142.8 6.9 6.3 9.8 54 55 A F E +Cd 42 73A 0 -12,-2.8 -12,-2.8 -2,-0.4 20,-0.2 -0.983 27.5 149.9-123.0 129.0 5.5 5.9 13.3 55 56 A A E - d 0 74A 0 18,-2.5 20,-1.3 -2,-0.4 -14,-0.2 -0.982 51.8 -72.0-151.3 163.6 5.2 9.1 15.4 56 57 A P E >> - d 0 75A 7 0, 0.0 3,-2.1 0, 0.0 4,-0.7 -0.367 54.3-112.9 -58.9 142.5 3.3 10.9 18.1 57 58 A A G >4 S+ 0 0 36 18,-2.7 3,-0.9 1,-0.3 4,-0.5 0.829 114.4 54.4 -50.4 -38.2 -0.1 11.9 16.8 58 59 A L G 34 S+ 0 0 163 17,-0.3 4,-0.3 1,-0.3 -1,-0.3 0.625 104.5 54.0 -76.0 -15.6 0.6 15.6 16.9 59 60 A E G <> S+ 0 0 42 -3,-2.1 4,-2.2 1,-0.1 -1,-0.3 0.583 85.3 86.9 -87.6 -14.1 3.8 15.3 14.8 60 61 A V H S+ 0 0 126 -4,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.935 110.0 43.0 -56.4 -56.5 0.9 16.6 10.2 62 63 A V H 4 S+ 0 0 76 -4,-0.3 4,-0.2 1,-0.2 -1,-0.2 0.878 113.8 54.3 -64.6 -33.3 4.3 18.1 9.8 63 64 A I H ><>S+ 0 0 2 -4,-2.2 3,-1.4 1,-0.2 5,-0.7 0.933 109.7 46.3 -61.4 -48.1 5.7 14.7 8.8 64 65 A K H ><5S+ 0 0 125 -4,-2.8 3,-1.8 1,-0.3 -1,-0.2 0.875 102.9 65.4 -64.9 -30.3 3.2 14.3 6.0 65 66 A E T 3<5S+ 0 0 125 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.527 86.0 73.2 -67.8 -8.8 3.9 17.9 4.9 66 67 A T T < 5S- 0 0 52 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.535 116.3-108.7 -74.2 -13.3 7.4 16.8 4.0 67 68 A G T < 5 + 0 0 53 -3,-1.8 -2,-0.1 1,-0.3 -3,-0.1 0.397 56.4 168.9 98.0 -0.3 6.0 15.0 0.9 68 69 A W < - 0 0 19 -5,-0.7 -1,-0.3 1,-0.2 -2,-0.1 -0.245 23.7-155.3 -58.3 127.6 6.7 11.6 2.5 69 70 A Q + 0 0 125 -3,-0.1 -1,-0.2 2,-0.1 -5,-0.0 0.318 63.5 68.4 -90.4 -0.5 4.9 9.3 0.1 70 71 A F S S- 0 0 53 1,-0.2 -18,-0.2 -20,-0.0 -3,-0.1 -0.622 94.4 -60.5-120.5 174.3 4.3 6.4 2.5 71 72 A P - 0 0 58 0, 0.0 -18,-2.3 0, 0.0 2,-0.4 -0.177 36.3-162.6 -59.4 146.2 2.2 5.8 5.6 72 73 A V E -d 53 0A 16 -20,-0.2 2,-0.5 -4,-0.0 -18,-0.2 -0.972 10.1-164.1-125.9 118.6 2.6 7.8 8.8 73 74 A I E -d 54 0A 25 -20,-2.9 -18,-2.5 -2,-0.4 2,-0.3 -0.876 6.1-158.3-110.2 123.5 1.0 6.2 11.8 74 75 A G E -d 55 0A 28 -2,-0.5 2,-0.4 -20,-0.2 -2,-0.0 -0.668 5.0-158.9-102.0 161.0 0.4 8.2 14.9 75 76 A Y E -d 56 0A 9 -20,-1.3 -18,-2.7 -2,-0.3 -17,-0.3 -0.991 17.3-123.2-136.5 148.6 -0.1 7.3 18.5 76 77 A L > - 0 0 108 -2,-0.4 3,-2.0 -20,-0.2 0, 0.0 -0.526 36.3-101.1 -90.8 159.7 -1.7 9.1 21.4 77 78 A D T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.674 119.1 39.7 -58.4 -28.5 0.2 9.8 24.7 78 79 A H T 3 S+ 0 0 190 2,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.417 94.0 100.5-105.8 3.5 -1.3 7.0 26.7 79 80 A E S < S- 0 0 86 -3,-2.0 -4,-0.1 1,-0.1 0, 0.0 -0.439 83.0-105.7 -79.7 163.0 -1.2 4.3 24.0 80 81 A N > - 0 0 82 1,-0.2 4,-2.0 -2,-0.1 5,-0.2 -0.781 30.6-168.8 -92.3 104.7 1.5 1.6 23.8 81 82 A P H > S+ 0 0 18 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.852 82.8 55.6 -66.8 -31.3 3.8 2.6 20.9 82 83 A W H > S+ 0 0 34 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.910 108.7 46.2 -67.7 -42.1 5.7 -0.6 20.8 83 84 A A H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 113.6 50.5 -65.5 -38.5 2.6 -2.8 20.5 84 85 A X H X S+ 0 0 41 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.895 110.2 48.0 -70.0 -38.9 1.3 -0.4 17.8 85 86 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.928 113.0 49.4 -62.4 -44.9 4.6 -0.5 15.8 86 87 A A H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 -2,-0.2 0.887 107.3 54.3 -63.7 -38.9 4.5 -4.3 16.1 87 88 A D H X S+ 0 0 78 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.908 107.0 51.7 -59.5 -41.5 0.9 -4.4 14.9 88 89 A Q H X S+ 0 0 32 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.861 112.4 46.0 -59.9 -42.2 2.0 -2.4 11.8 89 90 A V H ><>S+ 0 0 0 -4,-1.8 5,-1.7 2,-0.2 3,-0.8 0.934 112.5 49.5 -66.9 -46.1 4.7 -4.9 11.1 90 91 A K H ><5S+ 0 0 98 -4,-3.2 3,-1.8 1,-0.2 -2,-0.2 0.886 106.6 56.3 -62.0 -35.3 2.4 -7.9 11.7 91 92 A Q H 3<5S+ 0 0 117 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.764 102.9 56.6 -64.1 -25.3 -0.2 -6.3 9.3 92 93 A R T <<5S- 0 0 41 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.223 121.5-110.6 -94.8 13.4 2.5 -6.3 6.7 93 94 A H T < 5S+ 0 0 176 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.775 71.8 138.9 64.3 33.5 3.0 -10.0 7.1 94 95 A V < - 0 0 21 -5,-1.7 -1,-0.2 2,-0.0 -2,-0.1 -0.931 33.5-177.8-112.6 124.3 6.4 -9.8 8.7 95 96 A N - 0 0 101 -2,-0.5 23,-0.0 -3,-0.1 2,-0.0 -0.919 39.6-131.9-111.4 96.1 7.4 -12.0 11.6 96 97 A P + 0 0 1 0, 0.0 24,-0.4 0, 0.0 3,-0.1 -0.229 39.4 164.4 -69.3 136.7 10.8 -10.4 12.1 97 98 A E S S+ 0 0 125 1,-0.4 25,-2.8 24,-0.2 2,-0.3 0.584 72.2 24.7-102.9 -96.1 13.9 -12.5 12.5 98 99 A H E S- e 0 122A 65 -84,-0.4 -82,-2.8 23,-0.2 -81,-0.9 -0.511 74.8-171.7 -73.5 127.9 17.1 -10.4 12.0 99 100 A V E -a 17 0A 0 23,-2.5 26,-0.9 -2,-0.3 2,-0.4 -0.989 12.3-146.2-121.1 127.6 16.3 -6.7 12.7 100 101 A A E +ae 18 125A 0 -83,-2.1 -81,-3.0 -2,-0.4 2,-0.3 -0.808 23.2 173.1 -93.3 139.1 18.8 -3.9 12.0 101 102 A I E -ae 19 126A 3 24,-1.8 26,-2.3 -2,-0.4 2,-1.3 -0.878 44.7-103.3-133.6 169.7 18.9 -0.9 14.3 102 103 A E >> - 0 0 3 -83,-0.6 4,-2.7 -2,-0.3 3,-1.6 -0.728 42.2-177.1 -94.9 86.6 21.0 2.2 14.7 103 104 A K T 34 S+ 0 0 87 -2,-1.3 -1,-0.2 1,-0.3 5,-0.1 0.770 71.7 64.6 -68.0 -25.8 22.9 0.9 17.7 104 105 A G T 34 S+ 0 0 70 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.769 120.0 22.1 -66.5 -20.4 25.0 4.0 18.3 105 106 A Q T <4 S+ 0 0 57 -3,-1.6 2,-0.2 2,-0.1 -2,-0.2 0.731 97.5 95.4-113.9 -38.9 21.8 5.9 19.2 106 107 A L S < S- 0 0 20 -4,-2.7 2,-0.1 1,-0.1 -84,-0.0 -0.461 71.3-126.7 -71.5 131.8 19.0 3.5 20.2 107 108 A Q >> - 0 0 90 -2,-0.2 4,-2.0 1,-0.1 3,-0.8 -0.445 16.0-121.5 -75.5 143.6 18.7 3.0 23.9 108 109 A V H 3> S+ 0 0 92 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.865 110.8 56.9 -50.4 -46.7 18.8 -0.5 25.3 109 110 A A H 3> S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.847 108.0 48.0 -60.8 -32.9 15.3 -0.2 26.9 110 111 A R H <> S+ 0 0 59 -3,-0.8 4,-2.2 2,-0.2 5,-0.2 0.894 109.4 51.0 -75.7 -44.8 13.8 0.7 23.5 111 112 A X H X S+ 0 0 50 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.946 113.8 46.8 -51.3 -47.8 15.4 -2.1 21.7 112 113 A E H X S+ 0 0 121 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.854 109.1 52.8 -65.9 -40.0 14.1 -4.5 24.3 113 114 A A H < S+ 0 0 28 -4,-2.0 4,-0.5 -5,-0.2 -1,-0.2 0.902 113.5 44.5 -63.4 -40.3 10.6 -3.0 24.3 114 115 A L H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 4,-0.3 0.959 112.4 51.2 -63.0 -50.2 10.4 -3.5 20.5 115 116 A A H >< S+ 0 0 25 -4,-2.7 3,-1.7 1,-0.3 -2,-0.2 0.836 100.0 64.8 -59.4 -37.8 11.9 -7.0 20.7 116 117 A A T 3< S+ 0 0 78 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.710 94.5 61.0 -59.2 -20.2 9.3 -8.0 23.4 117 118 A Q T < S+ 0 0 55 -3,-1.6 2,-0.3 -4,-0.5 -1,-0.3 0.555 98.7 66.1 -86.2 -8.2 6.5 -7.6 20.9 118 119 A F S < S- 0 0 12 -3,-1.7 -23,-0.1 -4,-0.3 -21,-0.0 -0.780 83.7-121.0-117.1 157.1 7.9 -10.2 18.4 119 120 A S S S- 0 0 95 -2,-0.3 -1,-0.1 1,-0.2 -22,-0.1 0.936 92.0 -17.9 -72.0 -44.2 8.2 -14.0 18.9 120 121 A A S S+ 0 0 73 -24,-0.4 -1,-0.2 2,-0.0 2,-0.1 -0.321 76.3 168.5-160.2 68.3 12.0 -14.4 18.4 121 122 A P - 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