==== 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 18-SEP-07 2RB7 . COMPND 2 MOLECULE: PEPTIDASE, M20/M25/M40 FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO DESULFURICANS SUBSP. . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 720 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29078.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 533 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 130 18.1 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 . 8 1.1 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 . 53 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 0 0 0 0 2 2 0 3 0 1 1 3 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 2 4 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 . 8 4 5 2 2 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 0 1 0 0 2 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 0 A G >> 0 0 59 0, 0.0 4,-2.1 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 176.7 23.3 33.4 46.1 2 1 A X H 3> + 0 0 94 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.852 360.0 57.3 -60.0 -38.3 26.9 33.9 47.0 3 2 A S H 3> S+ 0 0 96 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.892 109.8 46.3 -63.7 -36.2 27.1 37.4 45.5 4 3 A S H X4 S+ 0 0 50 -3,-0.5 3,-0.7 1,-0.2 4,-0.5 0.884 112.0 49.6 -70.4 -37.9 24.3 38.5 47.8 5 4 A X H >X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 3,-1.1 0.793 96.5 72.9 -67.5 -26.5 25.8 36.8 50.8 6 5 A Q H 3X S+ 0 0 72 -4,-2.1 4,-2.7 1,-0.3 -1,-0.2 0.810 87.9 62.0 -59.0 -29.5 29.1 38.6 50.0 7 6 A H H S+ 0 0 0 -3,-1.1 4,-2.8 -4,-0.5 5,-0.2 0.890 110.3 52.7 -72.9 -42.7 27.2 40.2 54.6 9 8 A V H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.939 112.6 45.8 -55.1 -48.3 30.8 38.9 54.5 10 9 A E H X S+ 0 0 103 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.920 114.3 46.0 -63.7 -46.3 32.1 42.4 53.7 11 10 A L H X S+ 0 0 9 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.909 112.3 51.1 -65.1 -40.7 30.0 44.1 56.3 12 11 A T H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.933 108.7 52.7 -60.0 -42.8 31.0 41.5 58.9 13 12 A S H X S+ 0 0 20 -4,-2.6 4,-1.3 -5,-0.2 -2,-0.2 0.914 108.6 49.2 -61.4 -44.8 34.6 42.1 58.0 14 13 A D H < S+ 0 0 76 -4,-2.2 3,-0.3 1,-0.2 4,-0.3 0.917 112.1 49.2 -60.3 -43.9 34.2 45.9 58.5 15 14 A L H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 5,-0.2 0.888 104.5 58.9 -61.4 -39.9 32.6 45.2 61.9 16 15 A I H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.825 92.3 68.8 -59.0 -31.9 35.4 42.8 63.0 17 16 A R T 3< S+ 0 0 133 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.661 82.5 83.1 -68.3 -16.2 38.0 45.6 62.5 18 17 A F S < S- 0 0 33 -3,-1.6 2,-2.4 -4,-0.3 9,-0.0 -0.805 79.2-144.4 -84.4 113.1 36.5 47.4 65.6 19 18 A P + 0 0 19 0, 0.0 2,-2.0 0, 0.0 8,-0.2 -0.461 27.0 178.3 -78.8 75.5 38.1 45.8 68.7 20 19 A S + 0 0 0 -2,-2.4 56,-2.0 7,-0.2 2,-0.2 -0.348 19.8 144.2 -88.1 56.8 34.9 46.2 70.5 21 20 A X > - 0 0 6 -2,-2.0 3,-2.0 54,-0.2 7,-0.3 -0.537 64.1-108.4 -83.6 159.5 36.0 44.5 73.8 22 21 A H T 3 S+ 0 0 52 54,-0.5 -1,-0.1 1,-0.3 55,-0.1 0.771 119.6 60.6 -68.3 -23.3 34.8 45.8 77.2 23 22 A S T 3 S+ 0 0 86 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.503 105.9 51.9 -75.3 -9.7 38.2 47.2 78.0 24 23 A R X> + 0 0 82 -3,-2.0 3,-1.6 1,-0.1 4,-1.4 -0.542 62.6 162.4-123.5 65.2 37.7 49.4 74.9 25 24 A P H 3> S+ 0 0 68 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.824 75.2 61.9 -56.4 -30.4 34.3 51.0 75.5 26 25 A E H 3> S+ 0 0 95 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.815 103.0 50.6 -64.6 -30.3 35.2 53.7 72.8 27 26 A Q H <> S+ 0 0 33 -3,-1.6 4,-2.0 -6,-0.2 -7,-0.2 0.843 107.5 52.0 -77.3 -36.4 35.4 50.9 70.2 28 27 A I H X S+ 0 0 1 -4,-1.4 4,-2.2 -7,-0.3 -2,-0.2 0.956 114.5 44.6 -57.3 -45.9 32.0 49.5 71.2 29 28 A S H X S+ 0 0 48 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.910 113.1 49.3 -67.1 -45.5 30.6 53.0 70.8 30 29 A R H X S+ 0 0 145 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.861 109.6 51.9 -61.2 -38.2 32.4 53.6 67.5 31 30 A C H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.942 109.9 48.8 -68.3 -43.8 31.2 50.3 66.1 32 31 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.890 110.6 52.8 -58.5 -42.8 27.6 51.2 67.0 33 32 A G H X S+ 0 0 22 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.885 105.7 52.9 -59.7 -41.4 28.3 54.6 65.3 34 33 A F H X S+ 0 0 62 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.925 109.3 49.9 -58.5 -47.2 29.4 52.8 62.1 35 34 A I H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.927 109.7 50.3 -58.9 -46.4 26.2 50.8 62.2 36 35 A X H X S+ 0 0 48 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.932 112.3 47.3 -59.0 -44.3 24.1 54.1 62.5 37 36 A D H X S+ 0 0 100 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.898 110.6 52.1 -63.6 -40.4 26.0 55.6 59.6 38 37 A W H X S+ 0 0 32 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.908 109.7 49.5 -61.9 -45.8 25.5 52.5 57.5 39 38 A C H ><>S+ 0 0 0 -4,-2.7 5,-2.8 2,-0.2 3,-0.7 0.960 111.8 47.8 -57.1 -52.5 21.7 52.6 58.2 40 39 A A H ><5S+ 0 0 72 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.924 111.0 51.7 -54.9 -46.5 21.5 56.3 57.3 41 40 A Q H 3<5S+ 0 0 148 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.763 111.2 48.3 -62.8 -27.2 23.5 55.7 54.1 42 41 A N T <<5S- 0 0 42 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.225 119.5-107.5 -97.6 11.0 21.1 52.8 53.2 43 42 A G T < 5S+ 0 0 40 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.757 73.1 140.3 67.9 28.6 17.9 54.8 53.8 44 43 A I < - 0 0 8 -5,-2.8 2,-0.5 -6,-0.2 -1,-0.2 -0.894 50.8-134.4-104.3 130.0 17.1 53.0 57.0 45 44 A H + 0 0 135 -2,-0.5 15,-0.3 15,-0.1 2,-0.3 -0.729 35.6 171.5 -81.9 122.3 15.7 54.8 60.0 46 45 A A - 0 0 16 -2,-0.5 2,-0.4 13,-0.2 13,-0.2 -0.901 20.1-150.9-131.1 157.1 17.6 53.5 63.1 47 46 A E E -A 58 0A 72 11,-2.3 11,-2.9 -2,-0.3 2,-0.4 -0.995 7.0-161.3-131.4 139.8 17.6 54.7 66.8 48 47 A R E +A 57 0A 63 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.950 11.4 171.7-121.0 141.2 20.4 54.4 69.3 49 48 A X E -A 56 0A 34 7,-2.1 7,-2.5 -2,-0.4 2,-0.3 -0.954 14.4-153.0-136.3 160.5 20.3 54.6 73.1 50 49 A D E -A 55 0A 72 -2,-0.3 2,-0.4 5,-0.2 96,-0.1 -0.982 9.7-169.0-135.2 148.0 23.0 54.0 75.7 51 50 A H E > S-A 54 0A 56 3,-1.9 3,-2.1 -2,-0.3 94,-0.1 -0.973 80.4 -23.3-136.0 119.6 23.2 52.9 79.3 52 51 A D T 3 S- 0 0 148 -2,-0.4 93,-0.1 1,-0.3 -1,-0.1 0.872 130.4 -45.7 44.5 48.1 26.4 53.1 81.2 53 52 A G T 3 S+ 0 0 43 1,-0.2 -1,-0.3 92,-0.0 -24,-0.1 0.459 112.4 120.9 80.9 3.2 28.4 53.1 77.9 54 53 A I E < -A 51 0A 12 -3,-2.1 -3,-1.9 91,-0.1 2,-0.2 -0.869 51.7-147.6-104.1 118.3 26.5 50.2 76.4 55 54 A P E -A 50 0A 1 0, 0.0 82,-1.4 0, 0.0 2,-0.4 -0.576 11.3-167.1 -81.1 147.1 24.7 51.0 73.1 56 55 A S E -AB 49 136A 0 -7,-2.5 -7,-2.1 -2,-0.2 2,-0.5 -0.989 9.0-163.6-125.1 122.3 21.4 49.4 71.9 57 56 A V E -AB 48 135A 1 78,-3.2 78,-2.9 -2,-0.4 2,-0.4 -0.910 6.9-166.6-109.5 125.6 20.7 50.1 68.2 58 57 A X E -AB 47 134A 13 -11,-2.9 -11,-2.3 -2,-0.5 2,-0.5 -0.979 14.2-177.4-123.3 128.2 17.1 49.5 67.2 59 58 A V E + B 0 133A 0 74,-2.3 74,-2.9 -2,-0.4 -13,-0.2 -0.937 26.7 161.4-129.1 101.1 15.9 49.2 63.6 60 59 A L - 0 0 20 -2,-0.5 72,-0.2 -15,-0.3 6,-0.2 -0.872 53.6-121.4-127.1 155.2 12.2 48.8 63.7 61 60 A P S S- 0 0 8 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.899 100.2 -9.2 -58.8 -42.7 9.2 49.1 61.4 62 61 A E B > S-C 65 0A 103 3,-1.0 3,-2.0 65,-0.1 -3,-0.0 -0.964 99.4 -60.3-149.4 167.8 7.8 51.6 63.9 63 62 A K T 3 S- 0 0 153 -2,-0.3 3,-0.1 1,-0.3 91,-0.0 -0.193 117.5 -3.4 -52.4 126.3 8.5 52.9 67.4 64 63 A G T 3 S+ 0 0 25 1,-0.1 91,-2.8 90,-0.1 2,-0.3 0.526 116.5 88.1 75.5 8.8 8.4 50.2 70.0 65 64 A R E < +Cd 62 155A 81 -3,-2.0 -3,-1.0 89,-0.2 2,-0.3 -0.992 36.0 159.3-146.1 144.2 7.3 47.3 67.6 66 65 A A E - d 0 156A 0 89,-2.4 91,-0.7 -2,-0.3 3,-0.2 -0.962 28.5-145.5-146.6 163.2 8.5 44.6 65.3 67 66 A G E S+ 0 0 2 63,-2.4 91,-2.0 1,-0.3 90,-1.1 0.914 97.6 17.4 -83.1 -70.0 7.0 41.4 63.8 68 67 A L E S-ed 131 158A 0 62,-1.9 64,-2.4 89,-0.2 2,-0.5 -0.941 80.5-162.5-105.8 108.7 10.2 39.3 63.7 69 68 A L E -ed 132 159A 0 89,-3.0 91,-2.8 -2,-0.6 2,-0.5 -0.860 3.9-158.3 -95.6 126.2 12.9 40.8 65.9 70 69 A L E -ed 133 160A 5 62,-2.7 64,-2.8 -2,-0.5 2,-0.5 -0.904 9.9-162.0-101.1 128.2 16.5 39.6 65.3 71 70 A X E +ed 134 161A 4 89,-2.4 91,-2.2 -2,-0.5 2,-0.3 -0.941 21.8 150.4-119.2 127.9 18.7 40.2 68.3 72 71 A A E -e 135 0A 8 62,-2.6 64,-2.3 -2,-0.5 2,-0.3 -0.876 30.1-129.4-149.3 170.3 22.5 40.2 68.0 73 72 A H E -e 136 0A 2 28,-0.3 32,-0.3 -2,-0.3 64,-0.2 -0.973 10.8-160.6-137.4 148.1 25.5 41.9 69.7 74 73 A I + 0 0 1 62,-2.4 -54,-0.2 -2,-0.3 63,-0.2 0.469 64.2 100.6 -99.9 -13.9 28.6 43.9 68.7 75 74 A D - 0 0 0 61,-0.6 2,-0.3 26,-0.1 -54,-0.2 -0.525 54.0-168.2 -72.8 148.6 30.7 43.4 71.8 76 75 A V - 0 0 1 -56,-2.0 -54,-0.5 -2,-0.2 2,-0.1 -0.927 22.4-106.6-129.9 156.8 33.4 40.7 71.6 77 76 A V - 0 0 32 23,-0.3 256,-0.1 -2,-0.3 -57,-0.0 -0.433 57.0 -73.7 -77.1 161.6 35.7 38.9 74.0 78 77 A D + 0 0 107 -2,-0.1 2,-0.3 255,-0.0 -1,-0.2 -0.101 57.2 167.7 -58.3 151.6 39.4 39.7 74.1 79 78 A A - 0 0 21 -3,-0.1 -58,-0.1 17,-0.1 2,-0.1 -0.978 39.3 -90.6-154.0 159.7 41.7 38.7 71.3 80 79 A E > - 0 0 71 -2,-0.3 3,-1.9 1,-0.1 4,-0.2 -0.343 50.5-100.0 -68.3 159.7 45.2 39.3 70.1 81 80 A D G > S+ 0 0 118 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.789 118.5 63.5 -54.4 -35.7 45.6 42.1 67.5 82 81 A D G > S+ 0 0 91 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.728 91.4 66.7 -68.2 -18.7 45.7 39.7 64.5 83 82 A L G < S+ 0 0 13 -3,-1.9 13,-2.6 1,-0.2 -1,-0.3 0.555 91.7 62.9 -76.1 -7.0 42.2 38.6 65.3 84 83 A F G < S+ 0 0 13 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.215 85.9 80.9-101.2 9.8 40.9 42.1 64.4 85 84 A V S < S- 0 0 81 -3,-1.1 -1,-0.1 2,-0.0 2,-0.1 -0.951 81.1-142.5-113.1 104.6 42.1 41.8 60.8 86 85 A P + 0 0 13 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.405 23.8 177.5 -71.8 144.4 39.5 39.8 59.0 87 86 A R E -K 94 0B 130 7,-1.5 7,-3.2 -2,-0.1 2,-0.5 -0.994 20.1-141.2-143.9 151.4 40.5 37.3 56.3 88 87 A V E +K 93 0B 81 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.938 29.3 153.9-111.5 128.4 38.8 34.8 54.1 89 88 A E E > -K 92 0B 82 3,-2.6 3,-1.5 -2,-0.5 -2,-0.1 -0.944 62.5 -2.7-148.3 144.3 40.1 31.4 53.3 90 89 A N T 3 S- 0 0 126 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.906 128.9 -50.2 50.4 50.3 38.6 28.1 52.3 91 90 A D T 3 S+ 0 0 90 1,-0.2 250,-2.3 249,-0.1 2,-0.4 0.607 118.4 110.4 69.5 12.6 35.0 29.2 52.5 92 91 A R E < -KL 89 340B 69 -3,-1.5 -3,-2.6 248,-0.2 2,-0.5 -0.954 59.0-146.6-124.1 141.6 35.6 30.6 56.0 93 92 A L E -KL 88 339B 0 246,-2.3 246,-2.0 -2,-0.4 2,-0.4 -0.933 25.0-155.8-102.4 121.7 35.8 34.2 57.4 94 93 A Y E +KL 87 338B 48 -7,-3.2 -7,-1.5 -2,-0.5 244,-0.2 -0.855 37.1 82.2-104.1 137.9 38.3 34.4 60.2 95 94 A G S > S- 0 0 3 242,-1.8 3,-2.0 -2,-0.4 4,-0.4 -0.686 80.1 -60.2 154.6 165.6 38.5 36.9 63.1 96 95 A R T 3 S+ 0 0 9 -13,-2.6 -17,-0.1 1,-0.3 5,-0.1 -0.488 125.6 20.5 -66.9 123.3 37.2 37.8 66.5 97 96 A G T 3 >S+ 0 0 0 -2,-0.3 5,-1.6 3,-0.2 6,-1.1 0.321 84.5 121.0 95.3 -3.6 33.4 38.3 66.1 98 97 A A T < 5S+ 0 0 0 -3,-2.0 5,-0.3 2,-0.2 3,-0.2 0.907 100.1 4.4 -54.8 -44.8 33.2 36.2 62.9 99 98 A N T 5S+ 0 0 22 -4,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.677 121.6 74.8-113.9 -17.6 30.8 33.9 64.6 100 99 A D T 5S- 0 0 8 1,-0.1 -23,-0.3 231,-0.1 -1,-0.2 -0.787 122.3 -58.4-133.8 81.8 30.2 35.5 68.0 101 100 A D T >>5S+ 0 0 0 -2,-0.4 4,-1.2 -4,-0.3 3,-0.8 -0.808 111.7 88.2-152.0 22.8 28.5 37.6 66.9 102 101 A K H 3> S+ 0 0 5 -6,-1.1 4,-2.6 -5,-0.3 -1,-0.2 0.879 103.6 49.6 -59.3 -37.0 28.1 38.1 61.3 104 103 A A H <> S+ 0 0 2 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.835 108.6 51.3 -71.2 -42.2 24.6 38.1 62.8 105 104 A V H X S+ 0 0 1 -4,-1.2 4,-2.1 -32,-0.3 -2,-0.2 0.941 115.1 42.9 -54.8 -53.5 24.6 41.9 63.1 106 105 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.876 112.9 53.3 -60.8 -45.6 25.7 42.2 59.5 107 106 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.942 111.1 45.7 -55.0 -51.0 23.1 39.5 58.5 108 107 A G H X S+ 0 0 3 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.900 113.6 48.7 -60.1 -44.4 20.3 41.4 60.1 109 108 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.914 114.1 45.6 -65.6 -43.9 21.3 44.7 58.7 110 109 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.918 112.4 51.3 -67.0 -42.5 21.6 43.3 55.1 111 110 A X H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 5,-0.3 0.926 112.7 46.9 -52.5 -49.3 18.3 41.4 55.5 112 111 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.949 114.7 45.2 -64.4 -46.4 16.6 44.7 56.6 113 112 A R H X S+ 0 0 37 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.917 114.0 50.1 -59.5 -48.0 18.2 46.7 53.7 114 113 A D H X S+ 0 0 36 -4,-3.0 4,-1.6 2,-0.2 -2,-0.2 0.937 116.0 39.5 -61.1 -49.5 17.4 44.1 51.2 115 114 A R H X S+ 0 0 50 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.918 114.9 53.8 -70.5 -41.3 13.7 43.7 52.1 116 115 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.3 5,-0.2 0.916 107.3 50.3 -58.9 -47.1 13.2 47.5 52.7 117 116 A N H X S+ 0 0 75 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.896 110.2 50.5 -59.0 -38.4 14.5 48.3 49.3 118 117 A A H X S+ 0 0 43 -4,-1.6 4,-1.0 -5,-0.2 -2,-0.2 0.920 111.2 49.2 -63.9 -41.3 12.1 45.8 47.8 119 118 A L H ><>S+ 0 0 0 -4,-2.5 5,-3.1 1,-0.2 3,-0.7 0.926 111.7 48.3 -62.0 -46.7 9.2 47.4 49.7 120 119 A K H ><5S+ 0 0 90 -4,-2.9 3,-1.7 1,-0.3 -1,-0.2 0.886 107.1 55.4 -64.3 -37.3 10.2 50.9 48.6 121 120 A A H 3<5S+ 0 0 93 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.751 109.9 48.2 -64.4 -24.8 10.4 49.7 45.0 122 121 A A T <<5S- 0 0 64 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.179 127.4-100.9 -99.3 12.5 6.8 48.5 45.4 123 122 A G T < 5S+ 0 0 71 -3,-1.7 -3,-0.2 1,-0.3 2,-0.1 0.599 85.6 117.6 82.0 9.3 5.7 51.8 46.9 124 123 A R < - 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