==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-OCT-04 1XQY . COMPND 2 MOLECULE: PROLINE IMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR P.GOETTIG,H.BRANDSTETTER,M.GROLL,W.GOEHRING,P.V.KONAREV, . 295 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12413.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 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 . 1 0.3 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 . 24 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 1 0 0 0 0 0 2 1 1 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 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 PARALLEL BRIDGES PER LADDER . 2 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 E 0 0 137 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 65.0 0.1 -10.3 25.3 2 5 A a - 0 0 8 17,-0.1 2,-1.2 1,-0.1 17,-0.2 -0.693 360.0-109.9 -88.5 135.3 3.6 -10.5 23.8 3 6 A I E -A 18 0A 97 15,-0.8 2,-1.6 -2,-0.3 15,-0.6 -0.474 33.4-168.6 -68.0 96.5 6.5 -11.8 25.9 4 7 A E E +A 17 0A 100 -2,-1.2 13,-0.2 13,-0.2 -1,-0.1 -0.555 24.6 159.4 -88.5 75.7 8.5 -8.6 26.4 5 8 A N E -A 16 0A 80 -2,-1.6 11,-2.4 11,-0.8 2,-0.3 -0.209 34.9-122.2 -89.3-179.2 11.7 -10.1 27.8 6 9 A Y E -A 15 0A 104 9,-0.2 2,-0.3 -2,-0.1 9,-0.2 -0.802 20.0-164.9-118.5 163.8 15.2 -8.7 28.1 7 10 A A E -A 14 0A 14 7,-2.4 7,-2.2 -2,-0.3 2,-0.4 -0.904 16.9-135.2-156.6 123.8 18.5 -10.3 26.7 8 11 A K E +A 13 0A 98 -2,-0.3 2,-0.4 5,-0.3 5,-0.3 -0.639 33.2 168.5 -80.4 127.8 22.1 -9.6 27.5 9 12 A V E > -A 12 0A 10 3,-3.5 3,-1.3 -2,-0.4 77,-0.1 -0.979 58.8 -7.2-144.5 128.7 24.1 -9.4 24.3 10 13 A N T 3 S- 0 0 71 -2,-0.4 2,-0.2 1,-0.3 -1,-0.1 0.937 126.7 -51.1 54.0 56.7 27.7 -8.2 23.8 11 14 A G T 3 S+ 0 0 57 1,-0.1 -1,-0.3 58,-0.1 2,-0.2 0.117 127.1 78.7 74.3 -25.2 28.3 -6.8 27.3 12 15 A I E < S-A 9 0A 14 -3,-1.3 -3,-3.5 -2,-0.2 2,-0.3 -0.736 79.2-110.2-114.7 164.0 25.1 -4.8 27.1 13 16 A Y E -A 8 0A 115 -5,-0.3 54,-2.2 -2,-0.2 2,-0.4 -0.672 25.7-163.4 -95.9 150.2 21.4 -5.5 27.6 14 17 A I E -A 7 0A 0 -7,-2.2 -7,-2.4 -2,-0.3 2,-0.4 -0.985 12.3-139.3-135.2 141.2 18.7 -5.6 25.0 15 18 A Y E -A 6 0A 10 -2,-0.4 44,-1.2 44,-0.4 2,-0.4 -0.765 22.8-176.1 -96.6 140.9 14.9 -5.5 25.1 16 19 A Y E -AB 5 58A 31 -11,-2.4 -11,-0.8 -2,-0.4 2,-0.4 -0.990 10.9-171.1-143.1 134.5 12.9 -7.7 22.7 17 20 A K E +AB 4 57A 21 40,-1.0 40,-2.2 -2,-0.4 2,-0.4 -0.979 13.6 162.6-126.6 126.2 9.2 -8.1 22.0 18 21 A L E -AB 3 56A 19 -15,-0.6 2,-1.0 -2,-0.4 -15,-0.8 -0.988 29.2-150.0-144.4 130.9 7.7 -10.8 19.9 19 22 A a - 0 0 20 36,-1.3 36,-0.3 -2,-0.4 -17,-0.1 -0.722 30.8-132.8-102.0 82.1 4.1 -11.9 19.7 20 23 A K - 0 0 153 -2,-1.0 34,-0.1 34,-0.2 32,-0.1 -0.058 24.0-121.9 -38.7 110.5 4.6 -15.6 18.7 21 24 A A - 0 0 2 5,-0.2 3,-0.3 31,-0.1 33,-0.2 -0.311 22.4-114.7 -58.5 138.1 2.1 -16.1 15.9 22 25 A P S S+ 0 0 109 0, 0.0 2,-1.1 0, 0.0 28,-0.1 0.919 106.3 29.0 -39.6 -79.0 -0.3 -18.9 16.7 23 26 A E S S- 0 0 139 26,-0.2 2,-0.2 27,-0.2 -2,-0.1 -0.731 95.4-128.6 -93.2 100.0 0.7 -21.4 14.0 24 27 A E + 0 0 64 -2,-1.1 29,-0.2 -3,-0.3 3,-0.1 -0.201 48.9 149.1 -48.2 106.6 4.4 -20.7 13.4 25 28 A K - 0 0 110 27,-1.9 2,-0.3 1,-0.5 28,-0.2 0.740 67.4 -5.7-110.5 -39.2 4.7 -20.3 9.6 26 29 A A E -c 53 0A 8 26,-0.9 28,-2.3 2,-0.0 2,-0.7 -0.990 59.1-129.8-158.1 150.9 7.6 -17.9 9.4 27 30 A K E -cd 54 96A 39 68,-0.6 70,-3.7 -2,-0.3 2,-0.6 -0.912 23.7-170.5-110.7 108.6 9.7 -15.9 11.6 28 31 A L E -cd 55 97A 3 26,-2.3 28,-2.0 -2,-0.7 2,-0.4 -0.888 7.2-156.3-101.5 117.6 10.0 -12.2 10.6 29 32 A M E -cd 56 98A 11 68,-4.4 70,-2.1 -2,-0.6 2,-0.2 -0.763 14.0-139.2 -93.3 136.4 12.6 -10.1 12.4 30 33 A T E - d 0 99A 0 26,-1.4 2,-0.3 -2,-0.4 70,-0.2 -0.635 12.0-163.7 -95.5 153.3 12.0 -6.3 12.5 31 34 A M E - d 0 100A 0 68,-3.2 70,-3.9 -2,-0.2 77,-0.1 -0.817 9.8-155.2-142.3 99.3 14.5 -3.5 12.1 32 35 A H - 0 0 0 26,-0.5 7,-0.1 -2,-0.3 28,-0.1 -0.343 12.6-142.9 -71.6 152.1 13.6 0.0 13.1 33 36 A G > + 0 0 0 5,-0.2 4,-1.0 70,-0.2 69,-0.1 0.250 57.5 82.1 -94.1-145.3 15.3 3.1 11.6 34 37 A G T 4 S- 0 0 0 263,-1.4 2,-0.2 2,-0.2 -1,-0.1 -0.799 84.6-116.5 123.8 -93.1 16.5 6.4 12.8 35 38 A P T 4 S+ 0 0 0 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.452 106.8 33.1 -66.2-142.6 19.0 5.5 13.9 36 39 A G T 4 S+ 0 0 0 -2,-0.2 163,-0.3 25,-0.2 28,-0.3 0.509 100.4 105.6 47.7 5.2 18.5 6.3 17.6 37 40 A M < - 0 0 5 -4,-1.0 27,-0.7 26,-0.1 2,-0.3 0.280 61.7-126.4 -88.5-143.0 14.8 5.5 17.3 38 41 A S > - 0 0 0 25,-0.1 3,-0.6 -3,-0.1 -5,-0.2 -0.968 21.5-104.9-160.1 175.8 12.9 2.4 18.5 39 42 A H G > S+ 0 0 1 -2,-0.3 3,-3.9 1,-0.2 4,-0.4 0.687 90.5 98.9 -83.2 -18.5 10.5 -0.3 17.5 40 43 A D G > S+ 0 0 7 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.689 80.9 54.8 -44.2 -21.6 7.5 1.2 19.1 41 44 A Y G < S+ 0 0 3 -3,-0.6 -1,-0.3 1,-0.2 148,-0.2 0.304 99.8 59.1 -98.6 12.1 6.4 2.6 15.8 42 45 A L G X + 0 0 2 -3,-3.9 3,-1.8 146,-0.1 -1,-0.2 0.257 69.1 108.5-117.4 8.8 6.4 -0.7 14.0 43 46 A L G X + 0 0 36 -3,-0.5 3,-2.3 -4,-0.4 4,-0.2 0.776 57.8 81.2 -55.6 -30.5 3.9 -2.3 16.3 44 47 A S G > S+ 0 0 2 1,-0.3 3,-1.8 2,-0.1 -1,-0.3 0.748 71.6 81.2 -49.7 -25.1 1.3 -2.2 13.6 45 48 A L G X + 0 0 1 -3,-1.8 3,-2.1 1,-0.3 -1,-0.3 0.523 63.7 93.4 -61.5 -3.4 2.9 -5.4 12.2 46 49 A R G X> + 0 0 124 -3,-2.3 3,-2.6 1,-0.3 4,-0.7 0.894 67.6 73.1 -57.6 -35.5 0.9 -7.2 14.9 47 50 A D G <4 S+ 0 0 29 -3,-1.8 4,-0.3 1,-0.3 -1,-0.3 0.557 88.9 67.1 -57.3 -1.2 -1.8 -7.7 12.2 48 51 A M G <4>S+ 0 0 0 -3,-2.1 5,-1.6 2,-0.2 -1,-0.3 0.625 81.0 66.7 -96.1 -17.5 0.8 -10.2 10.8 49 52 A T T X45S+ 0 0 30 -3,-2.6 3,-2.1 -4,-0.2 -26,-0.2 0.839 91.4 69.4 -68.8 -28.9 0.7 -12.8 13.6 50 53 A K T 3<5S+ 0 0 148 -4,-0.7 -1,-0.2 1,-0.3 -2,-0.2 0.898 94.4 54.0 -52.0 -44.4 -2.9 -13.4 12.3 51 54 A E T 3 5S- 0 0 65 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.058 128.7-103.2 -80.3 27.9 -1.3 -14.9 9.2 52 55 A G T < 5S+ 0 0 2 -3,-2.1 -27,-1.9 1,-0.2 -26,-0.9 0.853 79.5 143.2 54.6 30.7 0.6 -17.2 11.5 53 56 A I E < - c 0 26A 0 -5,-1.6 -1,-0.2 -28,-0.2 2,-0.2 -0.921 45.6-142.6-106.1 114.1 3.6 -15.0 10.9 54 57 A T E - c 0 27A 3 -28,-2.3 -26,-2.3 -2,-0.7 2,-0.4 -0.530 17.6-161.4 -72.9 144.4 5.6 -14.7 14.0 55 58 A V E - c 0 28A 1 -36,-0.3 -36,-1.3 -2,-0.2 2,-0.3 -0.938 7.6-166.4-137.8 116.8 7.1 -11.2 14.5 56 59 A L E -Bc 18 29A 6 -28,-2.0 -26,-1.4 -2,-0.4 2,-0.3 -0.722 6.1-164.8 -98.9 148.7 10.0 -10.2 16.7 57 60 A F E +B 17 0A 2 -40,-2.2 -40,-1.0 -2,-0.3 2,-0.3 -0.871 10.0 174.1-126.5 159.9 10.8 -6.6 17.7 58 61 A Y E -B 16 0A 0 -2,-0.3 2,-0.7 -42,-0.2 -26,-0.5 -0.882 30.7-130.9-172.0 138.4 14.0 -5.1 19.2 59 62 A D - 0 0 0 -44,-1.2 -44,-0.4 -2,-0.3 3,-0.2 -0.828 37.5-132.0 -93.3 113.5 15.6 -1.8 20.1 60 63 A Q > - 0 0 0 -2,-0.7 3,-3.3 1,-0.2 6,-0.2 0.126 53.6 -38.8 -56.5 175.8 19.2 -1.7 18.8 61 64 A F T 3 S- 0 0 0 1,-0.3 7,-0.3 18,-0.1 -25,-0.2 -0.068 131.8 -8.1 -42.4 122.6 22.3 -0.8 20.7 62 65 A G T 3 S+ 0 0 1 5,-2.1 139,-0.4 -49,-0.3 6,-0.3 0.494 106.7 128.0 65.9 3.5 21.4 2.1 23.0 63 66 A C S X S- 0 0 0 -3,-3.3 3,-1.7 4,-0.3 -1,-0.2 -0.625 72.7 -34.2 -92.7 151.1 18.0 2.5 21.4 64 67 A G T 3 S- 0 0 1 -27,-0.7 -26,-0.1 -28,-0.3 128,-0.0 -0.102 128.7 -9.9 45.9-125.7 14.8 2.6 23.3 65 68 A R T 3 S+ 0 0 63 2,-0.1 -1,-0.3 -50,-0.0 -52,-0.1 0.623 117.2 91.5 -78.1 -19.6 14.8 0.3 26.4 66 69 A S S < S- 0 0 0 -3,-1.7 2,-0.2 -6,-0.2 -52,-0.2 -0.343 79.1-112.2 -75.4 162.4 18.1 -1.3 25.5 67 70 A E - 0 0 82 -54,-2.2 -5,-2.1 -5,-0.1 -4,-0.3 -0.637 23.6-111.9 -98.9 155.7 21.4 0.0 26.7 68 71 A E - 0 0 78 -6,-0.3 3,-0.1 -7,-0.3 -55,-0.1 -0.587 25.9-139.9 -85.9 142.5 24.2 1.6 24.8 69 72 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -58,-0.1 -0.071 54.2 -47.3 -84.0-167.7 27.6 -0.1 24.4 70 73 A D > - 0 0 95 1,-0.2 3,-1.4 2,-0.0 0, 0.0 -0.352 58.2-118.0 -61.2 145.6 31.0 1.7 24.5 71 74 A Q G > S+ 0 0 112 1,-0.3 3,-0.8 2,-0.1 -1,-0.2 0.609 110.1 75.3 -62.9 -8.2 30.7 4.8 22.3 72 75 A S G 3 S+ 0 0 94 1,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.848 89.6 53.7 -71.0 -36.0 33.5 3.1 20.2 73 76 A K G < S+ 0 0 78 -3,-1.4 2,-1.3 1,-0.1 -1,-0.3 -0.189 72.5 131.2 -93.1 41.1 31.1 0.6 18.7 74 77 A F < + 0 0 11 -3,-0.8 2,-0.2 -2,-0.2 -1,-0.1 -0.556 46.5 95.6 -96.3 71.0 28.8 3.4 17.5 75 78 A T S > S- 0 0 58 -2,-1.3 4,-1.3 1,-0.1 142,-0.1 -0.796 80.8-112.4-144.0-176.8 28.4 2.2 14.0 76 79 A I H > S+ 0 0 14 -2,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.845 112.1 62.5 -90.2 -44.1 26.3 0.3 11.5 77 80 A D H > S+ 0 0 120 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.721 109.7 47.6 -54.6 -18.5 28.8 -2.5 11.0 78 81 A Y H > S+ 0 0 23 2,-0.2 4,-1.8 1,-0.1 -1,-0.2 0.932 101.1 58.0 -85.0 -60.6 28.2 -3.0 14.7 79 82 A G H X S+ 0 0 0 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.842 103.5 61.3 -38.2 -38.1 24.4 -3.0 14.8 80 83 A V H X S+ 0 0 8 -4,-2.1 4,-1.7 2,-0.2 3,-0.4 0.982 100.3 47.3 -54.1 -70.4 24.8 -5.8 12.3 81 84 A E H X S+ 0 0 63 -4,-0.9 4,-4.2 1,-0.3 3,-0.4 0.869 110.0 57.7 -38.1 -49.0 26.6 -8.3 14.6 82 85 A E H X S+ 0 0 5 -4,-1.8 4,-3.4 1,-0.3 5,-0.3 0.938 101.5 52.4 -47.2 -60.5 24.0 -7.4 17.3 83 86 A A H X S+ 0 0 2 -4,-2.2 4,-3.1 -3,-0.4 -1,-0.3 0.856 118.8 38.7 -45.7 -40.8 21.1 -8.5 15.1 84 87 A E H X>S+ 0 0 14 -4,-1.7 4,-2.9 -3,-0.4 5,-0.6 0.975 110.9 54.7 -76.0 -59.8 22.9 -11.8 14.6 85 88 A A H X5S+ 0 0 26 -4,-4.2 4,-1.2 1,-0.2 -2,-0.2 0.864 119.2 40.4 -40.2 -38.9 24.3 -12.2 18.1 86 89 A L H X5S+ 0 0 3 -4,-3.4 4,-2.0 -5,-0.3 -2,-0.2 0.981 114.5 47.7 -75.0 -63.9 20.6 -11.8 19.0 87 90 A R H X5S+ 0 0 8 -4,-3.1 4,-2.6 -5,-0.3 3,-0.4 0.898 114.2 47.5 -42.3 -55.8 18.9 -13.8 16.3 88 91 A S H X5S+ 0 0 49 -4,-2.9 4,-2.7 1,-0.3 -1,-0.2 0.922 111.7 50.7 -54.6 -49.1 21.3 -16.7 16.8 89 92 A K H < - e 0 125A 0 -70,-3.9 3,-1.9 -2,-0.5 25,-0.1 -0.853 60.2 -49.1 -99.8 127.8 12.4 0.4 8.1 102 105 A A T >> S+ 0 0 0 23,-1.0 4,-2.2 -2,-0.6 3,-1.6 -0.279 141.7 14.3 53.5-120.3 14.4 3.2 6.7 103 106 A Y H 3> S+ 0 0 10 1,-0.3 4,-3.4 2,-0.2 -1,-0.3 0.931 129.8 56.7 -45.3 -52.4 17.7 3.1 8.5 104 107 A G H <> S+ 0 0 0 -3,-1.9 4,-3.5 1,-0.3 -1,-0.3 0.755 105.4 52.7 -53.8 -26.3 16.8 -0.4 9.7 105 108 A G H <> S+ 0 0 0 -3,-1.6 4,-3.9 2,-0.2 -1,-0.3 0.942 107.8 48.4 -74.5 -47.3 16.4 -1.3 6.1 106 109 A A H X S+ 0 0 4 -4,-2.2 4,-3.3 2,-0.2 -2,-0.2 0.985 116.9 43.9 -51.9 -56.8 19.8 0.0 5.3 107 110 A L H X S+ 0 0 0 -4,-3.4 4,-3.4 1,-0.3 5,-0.4 0.961 109.5 56.0 -49.3 -59.0 21.0 -1.9 8.3 108 111 A A H X S+ 0 0 0 -4,-3.5 4,-3.3 1,-0.2 -1,-0.3 0.899 111.8 44.3 -39.9 -49.6 18.9 -4.8 7.2 109 112 A L H X S+ 0 0 1 -4,-3.9 4,-2.2 2,-0.2 -2,-0.2 0.993 110.2 53.3 -61.1 -58.5 20.7 -4.7 3.9 110 113 A A H X S+ 0 0 19 -4,-3.3 4,-1.1 1,-0.3 -2,-0.2 0.870 114.7 42.7 -43.2 -46.0 24.1 -4.2 5.4 111 114 A Y H X S+ 0 0 6 -4,-3.4 4,-1.0 1,-0.2 3,-0.5 0.942 106.7 61.8 -67.2 -47.3 23.5 -7.3 7.5 112 115 A A H < S+ 0 0 0 -4,-3.3 -1,-0.2 -5,-0.4 -2,-0.2 0.821 99.5 57.1 -47.6 -38.2 22.0 -9.1 4.5 113 116 A V H < S+ 0 0 33 -4,-2.2 3,-0.4 -3,-0.2 -1,-0.2 0.937 118.3 26.2 -61.8 -50.7 25.4 -8.8 2.7 114 117 A K H >< S+ 0 0 136 -4,-1.1 2,-1.8 -3,-0.5 3,-0.6 0.982 130.0 33.4 -79.3 -71.2 27.5 -10.6 5.3 115 118 A Y G >< S+ 0 0 58 -4,-1.0 3,-0.9 1,-0.2 -1,-0.2 -0.323 74.6 131.7 -86.3 57.3 25.3 -13.0 7.3 116 119 A Q G > + 0 0 46 -2,-1.8 3,-1.8 -3,-0.4 -1,-0.2 0.788 55.6 79.5 -73.3 -29.4 23.2 -13.7 4.3 117 120 A D G < S+ 0 0 138 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.524 89.9 57.0 -58.9 -0.7 23.6 -17.4 5.1 118 121 A H G < S+ 0 0 39 -3,-0.9 -22,-0.4 -6,-0.1 2,-0.3 -0.041 90.8 100.6-122.1 32.9 20.9 -16.8 7.7 119 122 A L < + 0 0 11 -3,-1.8 -22,-0.2 1,-0.1 3,-0.1 -0.930 33.8 170.3-129.7 149.2 18.1 -15.5 5.5 120 123 A K S S- 0 0 47 -24,-2.0 2,-0.3 1,-0.5 -23,-0.2 0.632 81.5 -11.0-113.9 -34.7 14.8 -16.5 3.8 121 124 A G E -e 97 0A 0 -25,-0.7 -23,-1.0 110,-0.1 -1,-0.5 -0.946 56.4-141.1-159.2 168.8 13.6 -13.1 2.7 122 125 A L E -e 98 0A 0 -2,-0.3 112,-2.5 -25,-0.2 2,-0.6 -0.815 12.1-166.2-146.5 102.0 14.3 -9.4 3.2 123 126 A I E -ef 99 234A 0 -25,-3.5 -23,-1.3 -2,-0.3 2,-0.4 -0.790 5.8-172.2 -96.0 123.1 11.6 -6.8 3.4 124 127 A V E -ef 100 235A 0 110,-2.8 112,-2.7 -2,-0.6 2,-0.6 -0.932 9.2-164.7-113.0 130.5 12.6 -3.1 3.1 125 128 A S E S-ef 101 236A 0 -25,-1.7 -23,-1.0 -2,-0.4 112,-0.2 -0.696 79.8 -33.9-116.4 81.2 10.1 -0.3 3.8 126 129 A G S S+ 0 0 1 110,-2.2 -1,-0.2 -2,-0.6 111,-0.1 0.958 98.4 154.2 73.9 50.4 11.6 2.9 2.3 127 130 A G - 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0 0 57 0, 0.0 3,-2.5 0, 0.0 4,-1.6 -0.410 43.3-109.3 -65.8 127.3 7.5 26.5 -0.5 147 150 A A H 3> S+ 0 0 42 1,-0.3 4,-3.1 2,-0.2 5,-0.4 0.668 113.5 65.5 -16.3 -61.0 9.9 29.4 -0.2 148 151 A K H 3> S+ 0 0 135 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.864 119.6 22.1 -38.8 -52.1 8.9 30.2 3.3 149 152 A Y H <> S+ 0 0 41 -3,-2.5 4,-2.6 2,-0.2 5,-0.3 0.868 117.7 62.0 -86.5 -41.1 10.2 26.9 4.6 150 153 A R H X S+ 0 0 91 -4,-1.6 4,-0.8 1,-0.2 -2,-0.2 0.782 112.8 42.2 -53.2 -27.5 12.7 26.2 1.8 151 154 A D H X S+ 0 0 91 -4,-3.1 4,-1.7 -5,-0.4 -1,-0.2 0.772 111.0 53.4 -89.6 -33.7 14.3 29.4 3.0 152 155 A A H X>S+ 0 0 6 -4,-0.9 4,-2.4 -5,-0.4 5,-0.6 0.950 107.6 50.8 -67.7 -48.6 14.0 28.9 6.8 153 156 A I H X5S+ 0 0 9 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.940 112.4 43.2 -54.5 -58.5 15.7 25.5 6.7 154 157 A K H X5S+ 0 0 113 -4,-0.8 4,-2.4 -5,-0.3 -1,-0.2 0.911 117.9 50.4 -56.6 -42.8 18.8 26.5 4.7 155 158 A K H <5S+ 0 0 116 -4,-1.7 3,-0.2 2,-0.2 -2,-0.2 0.993 120.5 27.7 -58.1 -75.5 19.0 29.6 6.8 156 159 A Y H >X>S+ 0 0 26 -4,-2.4 5,-1.7 1,-0.2 4,-1.2 0.793 120.4 59.5 -61.4 -27.6 18.8 28.4 10.4 157 160 A G H >< < + 0 0 39 -5,-1.7 3,-0.8 1,-0.2 6,-0.2 -0.266 18.3 141.9 -84.2 53.0 19.8 27.4 15.1 162 165 A Y T 3 + 0 0 76 -2,-1.7 -1,-0.2 1,-0.3 6,-0.2 0.812 67.0 58.1 -63.0 -28.9 18.0 24.1 15.0 163 166 A E T 3 S+ 0 0 129 -3,-0.5 -1,-0.3 -7,-0.1 5,-0.2 0.788 80.7 120.8 -71.8 -26.7 16.1 25.1 18.1 164 167 A N <> - 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