==== 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 15-OCT-04 1XRR . COMPND 2 MOLECULE: PROLINE IMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR P.GOETTIG,H.BRANDSTETTER,M.GROLL,W.GOEHRING,P.V.KONAREV, . 292 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 5.8 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 . 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 . 27 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 1 0 0 0 0 1 1 2 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 1 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 PARALLEL BRIDGES PER LADDER . 2 0 0 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 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 0 190 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 107.4 -0.0 -9.6 24.8 2 5 A a - 0 0 10 17,-0.1 2,-0.5 1,-0.0 17,-0.2 -0.474 360.0 -89.4 -97.0 173.1 3.3 -10.8 23.4 3 6 A I E -A 18 0A 85 15,-2.0 15,-2.7 -2,-0.2 2,-0.3 -0.770 40.6-165.2 -93.1 126.6 6.3 -11.8 25.5 4 7 A E E +A 17 0A 112 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.829 20.5 146.5-107.5 145.6 8.7 -9.0 26.4 5 8 A N E -A 16 0A 83 11,-1.6 11,-2.2 -2,-0.3 2,-0.5 -0.995 44.5-100.5-169.2 167.9 12.2 -9.6 27.8 6 9 A Y E -A 15 0A 121 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.876 28.6-168.7-103.0 127.7 15.8 -8.6 28.1 7 10 A A E -A 14 0A 10 7,-3.1 7,-3.9 -2,-0.5 2,-0.9 -0.966 18.9-136.2-116.2 129.2 18.5 -10.3 26.0 8 11 A K E +A 13 0A 107 -2,-0.5 2,-0.4 5,-0.3 5,-0.3 -0.742 32.4 174.6 -85.7 107.7 22.2 -9.8 26.7 9 12 A V E > -A 12 0A 3 3,-3.1 3,-1.6 -2,-0.9 73,-0.1 -0.962 63.7 -14.1-120.1 131.3 23.9 -9.2 23.4 10 13 A N T 3 S- 0 0 74 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.743 132.7 -48.0 52.9 27.7 27.6 -8.3 22.9 11 14 A G T 3 S+ 0 0 55 1,-0.3 2,-0.3 58,-0.0 -1,-0.3 0.578 122.8 86.7 93.4 10.3 27.7 -7.4 26.6 12 15 A I E < S-A 9 0A 16 -3,-1.6 -3,-3.1 -5,-0.1 2,-0.5 -0.949 78.1-102.1-140.2 161.6 24.6 -5.3 26.8 13 16 A Y E -A 8 0A 97 -2,-0.3 54,-2.0 -5,-0.3 2,-0.5 -0.733 30.9-171.0 -90.9 126.0 20.9 -5.7 27.4 14 17 A I E -A 7 0A 0 -7,-3.9 -7,-3.1 -2,-0.5 2,-0.2 -0.961 15.3-140.4-118.6 122.1 18.6 -5.6 24.5 15 18 A Y E +A 6 0A 11 -2,-0.5 44,-1.6 44,-0.3 2,-0.3 -0.586 25.6 179.3 -78.7 141.0 14.8 -5.5 25.0 16 19 A Y E -AB 5 58A 25 -11,-2.2 -11,-1.6 -2,-0.2 2,-0.5 -0.999 21.6-151.2-146.3 142.9 12.7 -7.5 22.5 17 20 A K E -AB 4 57A 25 40,-2.4 40,-2.9 -2,-0.3 2,-0.7 -0.957 12.7-162.7-117.5 115.7 9.0 -8.2 22.0 18 21 A L E -AB 3 56A 9 -15,-2.7 -15,-2.0 -2,-0.5 2,-0.9 -0.866 6.5-173.0-103.5 114.1 8.1 -11.6 20.5 19 22 A a E - B 0 55A 4 36,-2.4 36,-2.1 -2,-0.7 -17,-0.1 -0.774 16.8-158.8-106.6 87.0 4.6 -11.9 19.1 20 23 A K - 0 0 140 -2,-0.9 33,-0.1 34,-0.2 3,-0.1 -0.298 13.1-126.1 -64.8 147.0 4.3 -15.5 18.1 21 24 A A > - 0 0 6 31,-0.2 3,-1.8 1,-0.2 33,-0.2 -0.823 14.6-128.6 -97.2 133.6 1.7 -16.5 15.5 22 25 A P T 3 S+ 0 0 115 0, 0.0 2,-1.4 0, 0.0 -1,-0.2 0.931 109.1 21.4 -40.3 -79.4 -0.8 -19.3 16.5 23 26 A E T 3 S- 0 0 161 26,-0.2 -3,-0.0 -3,-0.1 27,-0.0 -0.371 99.1-161.2 -89.6 56.8 -0.3 -21.5 13.5 24 27 A E < + 0 0 64 -3,-1.8 29,-0.2 -2,-1.4 3,-0.1 -0.063 24.7 173.9 -43.9 129.8 3.1 -19.9 12.8 25 28 A K - 0 0 131 27,-3.3 2,-0.3 1,-0.4 28,-0.2 0.548 67.9 -11.2-111.7 -21.6 4.2 -20.5 9.3 26 29 A A E -c 53 0A 3 26,-0.9 28,-2.5 264,-0.1 -1,-0.4 -0.978 64.1-114.6-171.2 163.8 7.3 -18.3 9.6 27 30 A K E -c 54 0A 27 -2,-0.3 70,-2.1 68,-0.2 2,-0.5 -0.844 18.3-156.4-111.6 146.9 9.1 -15.7 11.7 28 31 A L E -cd 55 97A 0 26,-2.1 28,-3.8 -2,-0.3 2,-0.5 -0.972 2.5-158.0-127.1 118.1 9.8 -12.0 10.8 29 32 A M E -cd 56 98A 5 68,-2.5 70,-3.4 -2,-0.5 2,-0.3 -0.812 18.2-153.0 -93.7 132.4 12.6 -10.1 12.4 30 33 A T E - d 0 99A 1 26,-2.4 2,-0.4 -2,-0.5 70,-0.2 -0.835 12.4-160.2-112.8 147.3 12.1 -6.3 12.3 31 34 A M E - d 0 100A 0 68,-1.6 70,-3.2 -2,-0.3 73,-0.2 -0.974 16.4-144.7-126.0 114.3 14.5 -3.3 12.2 32 35 A H - 0 0 1 -2,-0.4 7,-0.1 26,-0.4 4,-0.1 -0.336 19.1-114.3 -75.2 159.3 13.2 0.2 13.2 33 36 A G S > S+ 0 0 0 5,-0.3 4,-1.1 70,-0.2 3,-0.4 0.158 72.0 60.0 -77.8-164.4 14.4 3.4 11.6 34 37 A G T 4 S- 0 0 0 1,-0.3 2,-0.2 2,-0.2 -1,-0.1 -0.941 86.2-112.0 126.6-108.4 16.4 6.4 13.0 35 38 A P T 4 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 171,-0.3 0.549 114.4 31.2 -73.0 153.0 18.9 5.4 13.9 36 39 A G T 4 S+ 0 0 0 -3,-0.4 28,-0.4 -2,-0.2 166,-0.3 0.426 95.2 101.5 114.4 0.2 17.9 6.1 17.5 37 40 A M < - 0 0 8 -4,-1.1 27,-0.9 26,-0.1 2,-0.3 0.457 65.7-111.1 -86.8-130.8 14.1 5.6 17.4 38 41 A S - 0 0 0 25,-0.2 3,-0.4 26,-0.1 -5,-0.3 -0.981 18.7-106.7-162.8 168.9 12.3 2.4 18.6 39 42 A H S > S+ 0 0 1 -2,-0.3 3,-2.5 1,-0.2 4,-0.3 0.693 95.9 92.8 -74.0 -21.9 10.3 -0.6 17.5 40 43 A D G > S+ 0 0 7 1,-0.3 3,-2.3 2,-0.2 -1,-0.2 0.833 77.3 53.9 -38.5 -57.8 7.2 1.0 18.8 41 44 A Y G 3 S+ 0 0 1 -3,-0.4 -1,-0.3 147,-0.3 3,-0.2 0.419 103.8 60.8 -65.3 3.5 6.0 2.7 15.5 42 45 A L G X + 0 0 0 -3,-2.5 3,-2.3 146,-0.1 -1,-0.3 0.409 69.7 102.7-107.3 -2.0 6.2 -0.7 13.9 43 46 A L G X + 0 0 33 -3,-2.3 3,-3.0 -4,-0.3 4,-0.3 0.781 63.7 77.0 -52.5 -30.0 3.6 -2.4 16.1 44 47 A S G > S+ 0 0 0 1,-0.3 3,-1.4 -4,-0.2 -1,-0.3 0.795 83.9 65.4 -51.2 -31.5 1.1 -2.1 13.4 45 48 A L G X S+ 0 0 0 -3,-2.3 3,-2.8 1,-0.3 -1,-0.3 0.631 74.8 89.2 -67.3 -14.3 2.8 -5.1 11.7 46 49 A R G X + 0 0 90 -3,-3.0 3,-2.4 1,-0.3 4,-0.3 0.788 68.6 77.4 -54.2 -25.7 1.7 -7.2 14.7 47 50 A D G X S+ 0 0 52 -3,-1.4 3,-1.0 1,-0.3 -1,-0.3 0.679 75.3 80.4 -59.2 -13.6 -1.5 -7.8 12.7 48 51 A M G X >S+ 0 0 1 -3,-2.8 3,-1.7 1,-0.3 5,-1.5 0.752 75.4 71.3 -64.8 -27.1 0.8 -10.2 10.8 49 52 A T G X 5S+ 0 0 19 -3,-2.4 3,-2.2 1,-0.3 -1,-0.3 0.861 88.3 60.6 -59.2 -36.8 0.3 -12.8 13.5 50 53 A K G < 5S+ 0 0 179 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.599 100.8 57.4 -68.0 -7.6 -3.3 -13.4 12.4 51 54 A E G < 5S- 0 0 81 -3,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.138 129.5 -99.0-104.3 14.0 -1.8 -14.5 9.1 52 55 A G T < 5S+ 0 0 10 -3,-2.2 -27,-3.3 1,-0.2 -26,-0.9 0.806 83.3 135.2 72.5 29.1 0.2 -17.1 10.9 53 56 A I E < - c 0 26A 1 -5,-1.5 2,-0.2 -29,-0.2 -1,-0.2 -0.935 47.2-147.3-119.0 114.3 3.3 -14.9 10.9 54 57 A T E - c 0 27A 1 -28,-2.5 -26,-2.1 -2,-0.6 2,-0.5 -0.542 17.6-156.0 -75.4 138.5 5.4 -14.5 14.1 55 58 A V E -Bc 19 28A 0 -36,-2.1 -36,-2.4 -2,-0.2 2,-0.7 -0.969 7.7-155.5-126.9 125.8 7.0 -11.1 14.4 56 59 A L E -Bc 18 29A 1 -28,-3.8 -26,-2.4 -2,-0.5 2,-0.3 -0.857 14.2-176.1-101.1 114.6 10.1 -10.1 16.4 57 60 A F E +B 17 0A 0 -40,-2.9 -40,-2.4 -2,-0.7 2,-0.3 -0.799 9.7 164.8-105.8 149.2 10.3 -6.5 17.5 58 61 A Y E -B 16 0A 1 -2,-0.3 2,-0.7 -42,-0.3 -26,-0.4 -0.939 38.3-120.6-166.0 143.9 13.3 -5.1 19.3 59 62 A D - 0 0 0 -44,-1.6 -44,-0.3 -2,-0.3 3,-0.1 -0.776 37.1-133.9 -87.7 113.5 15.0 -1.8 20.3 60 63 A Q > - 0 0 3 -2,-0.7 3,-2.1 1,-0.2 6,-0.3 -0.026 49.4 -53.5 -58.0 171.3 18.5 -1.7 18.7 61 64 A F T 3 S+ 0 0 3 1,-0.3 7,-0.2 -47,-0.1 -1,-0.2 -0.159 128.0 5.2 -51.9 137.3 21.4 -0.6 20.9 62 65 A G T 3 S+ 0 0 0 5,-0.7 139,-0.4 1,-0.2 138,-0.3 0.324 108.3 117.7 69.6 -8.9 20.9 2.7 22.6 63 66 A C S X S- 0 0 1 -3,-2.1 3,-2.6 4,-0.2 -1,-0.2 -0.618 79.7 -39.4 -93.9 152.2 17.4 2.8 21.4 64 67 A G T 3 S- 0 0 5 -27,-0.9 -26,-0.1 -28,-0.4 -3,-0.0 -0.111 128.6 -6.3 43.4-104.2 14.2 2.8 23.3 65 68 A R T 3 S+ 0 0 58 -50,-0.1 -1,-0.3 -2,-0.1 2,-0.2 0.467 110.9 99.1-101.4 -4.9 14.5 0.4 26.3 66 69 A S S < S- 0 0 1 -3,-2.6 2,-0.2 -6,-0.3 -52,-0.2 -0.500 74.5-110.8 -85.1 154.7 17.9 -1.0 25.4 67 70 A E - 0 0 83 -54,-2.0 -5,-0.7 -2,-0.2 -4,-0.2 -0.585 28.9-116.9 -87.6 145.5 21.2 0.1 26.9 68 71 A E - 0 0 74 -2,-0.2 3,-0.1 -7,-0.2 -55,-0.1 -0.546 22.7-152.2 -80.0 139.4 23.9 2.0 25.0 69 72 A P - 0 0 23 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.058 53.6 -43.2 -87.3-154.1 27.3 0.4 24.4 70 73 A D > - 0 0 104 1,-0.1 3,-2.8 3,-0.0 4,-0.0 -0.523 55.2-120.8 -74.0 142.7 30.5 2.4 23.9 71 74 A Q G > S+ 0 0 139 1,-0.3 3,-1.9 -2,-0.2 -1,-0.1 0.776 111.9 69.1 -53.7 -28.2 30.0 5.4 21.6 72 75 A S G 3 S+ 0 0 86 1,-0.3 -1,-0.3 2,-0.0 -2,-0.0 0.674 96.4 56.2 -65.0 -15.1 32.7 3.9 19.3 73 76 A K G < + 0 0 86 -3,-2.8 2,-1.9 1,-0.1 -1,-0.3 0.175 70.0 112.5-102.5 14.1 30.2 1.2 18.6 74 77 A F < + 0 0 6 -3,-1.9 2,-0.3 4,-0.1 -1,-0.1 -0.489 56.1 113.9 -85.1 69.3 27.4 3.6 17.4 75 78 A T S > S- 0 0 56 -2,-1.9 4,-2.0 1,-0.1 5,-0.1 -0.921 77.9-121.0-137.5 160.4 27.7 2.2 13.9 76 79 A I H > S+ 0 0 9 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.891 112.9 60.3 -67.1 -38.8 25.7 0.2 11.4 77 80 A D H > S+ 0 0 118 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.879 108.4 43.9 -56.2 -40.9 28.4 -2.4 11.2 78 81 A Y H > S+ 0 0 22 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.907 107.7 58.9 -70.3 -41.6 27.9 -3.0 15.0 79 82 A G H X S+ 0 0 1 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.847 105.3 51.8 -55.1 -35.9 24.1 -2.9 14.5 80 83 A V H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 3,-0.3 0.965 106.6 49.9 -65.6 -53.6 24.4 -5.8 12.1 81 84 A E H X S+ 0 0 61 -4,-1.7 4,-1.5 1,-0.3 -1,-0.2 0.735 110.9 54.2 -58.7 -18.9 26.5 -8.0 14.5 82 85 A E H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -1,-0.3 0.875 106.5 48.9 -81.0 -40.1 23.8 -7.2 17.0 83 86 A A H X S+ 0 0 1 -4,-1.8 4,-2.9 -3,-0.3 -2,-0.2 0.929 113.4 47.0 -65.1 -44.8 21.0 -8.4 14.8 84 87 A E H X S+ 0 0 23 -4,-2.4 4,-3.8 2,-0.2 5,-0.3 0.941 111.4 50.2 -62.1 -50.6 22.8 -11.7 14.0 85 88 A A H X S+ 0 0 29 -4,-1.5 4,-2.8 -5,-0.3 -1,-0.2 0.915 113.9 45.4 -55.2 -45.4 23.7 -12.3 17.7 86 89 A L H X S+ 0 0 2 -4,-2.2 4,-3.4 2,-0.2 5,-0.4 0.935 114.7 48.7 -63.7 -46.4 20.0 -11.7 18.7 87 90 A R H X>S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 5,-0.7 0.951 115.5 43.9 -56.6 -51.0 18.9 -13.9 15.7 88 91 A S H X5S+ 0 0 57 -4,-3.8 4,-0.8 3,-0.2 -2,-0.2 0.864 118.9 43.7 -63.9 -38.4 21.3 -16.7 16.7 89 92 A K H <5S+ 0 0 128 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.869 120.4 38.2 -77.9 -37.1 20.5 -16.4 20.4 90 93 A L H <5S+ 0 0 45 -4,-3.4 -2,-0.2 -5,-0.2 -3,-0.2 0.819 137.4 12.4 -85.4 -31.9 16.7 -16.1 20.1 91 94 A F H ><5S- 0 0 27 -4,-2.7 3,-1.1 -5,-0.4 2,-0.4 0.483 86.5-150.3-123.6 -6.8 16.1 -18.6 17.2 92 95 A G T 3< - e 0 125A 0 -70,-3.2 3,-2.5 -2,-0.4 2,-0.3 -0.918 62.6 -43.1-111.0 129.5 12.1 0.3 8.0 102 105 A S T >> S+ 0 0 0 23,-2.3 4,-1.4 -2,-0.5 3,-0.9 -0.390 141.5 5.8 58.4-117.8 13.8 3.5 7.0 103 106 A Y H 3> S+ 0 0 4 1,-0.3 4,-3.0 -2,-0.3 -1,-0.3 0.866 132.1 61.5 -62.1 -33.6 17.3 3.3 8.6 104 107 A G H <> S+ 0 0 0 -3,-2.5 4,-2.9 1,-0.2 -1,-0.3 0.802 100.6 54.5 -62.4 -27.7 16.3 -0.3 9.6 105 108 A G H <> S+ 0 0 0 -3,-0.9 4,-2.2 -5,-0.3 -1,-0.2 0.903 109.2 44.7 -71.4 -42.1 16.0 -0.9 5.9 106 109 A A H X S+ 0 0 3 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.890 116.3 48.5 -67.4 -38.3 19.6 0.3 5.3 107 110 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.948 109.4 51.7 -64.1 -49.8 20.6 -1.7 8.3 108 111 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.910 108.6 52.4 -54.1 -43.1 18.7 -4.8 7.0 109 112 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.923 108.5 49.0 -59.6 -45.2 20.5 -4.4 3.7 110 113 A A H X S+ 0 0 14 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.868 111.2 52.0 -63.1 -35.3 23.9 -4.3 5.4 111 114 A Y H >X S+ 0 0 4 -4,-2.4 4,-3.8 1,-0.2 3,-1.4 0.960 107.0 51.1 -64.7 -51.7 22.9 -7.4 7.3 112 115 A A H 3X S+ 0 0 0 -4,-2.7 4,-1.1 1,-0.3 -2,-0.2 0.881 101.0 62.7 -53.6 -42.3 21.9 -9.3 4.2 113 116 A V H 3< S+ 0 0 41 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.806 121.4 22.1 -55.5 -29.0 25.2 -8.6 2.5 114 117 A K H << S+ 0 0 116 -3,-1.4 3,-0.2 -4,-0.8 -2,-0.2 0.822 136.6 26.0-107.2 -43.6 26.9 -10.6 5.3 115 118 A Y H >< + 0 0 40 -4,-3.8 3,-1.3 -5,-0.2 -2,-0.2 -0.245 68.9 127.5-119.5 46.8 24.3 -12.9 6.8 116 119 A Q G >< + 0 0 50 -4,-1.1 3,-1.9 1,-0.3 -1,-0.1 0.683 65.8 75.9 -72.9 -15.8 21.8 -13.6 4.1 117 120 A D G 3 S+ 0 0 96 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.680 92.9 52.8 -66.7 -16.6 22.3 -17.3 4.7 118 121 A H G < S+ 0 0 40 -3,-1.3 -22,-1.9 -23,-0.1 2,-0.3 0.320 103.4 78.3 -99.5 6.5 20.2 -16.8 7.8 119 122 A L E < -e 96 0A 2 -3,-1.9 -22,-0.2 -24,-0.3 3,-0.1 -0.881 49.4-173.1-120.5 150.2 17.4 -15.2 5.8 120 123 A K E S- 0 0 46 -24,-1.4 2,-0.3 1,-0.4 -23,-0.2 0.644 79.9 -1.2-106.6 -25.8 14.6 -16.5 3.6 121 124 A G E -e 97 0A 0 -25,-0.6 -23,-1.8 110,-0.2 2,-0.4 -0.986 59.5-138.8-162.7 158.2 13.4 -13.1 2.4 122 125 A L E -ef 98 233A 0 110,-2.2 112,-3.8 -2,-0.3 2,-0.5 -0.987 9.7-169.1-129.6 128.4 14.0 -9.4 2.8 123 126 A I E -ef 99 234A 0 -25,-2.3 -23,-2.5 -2,-0.4 2,-0.5 -0.952 6.3-173.7-120.3 114.0 11.4 -6.6 3.1 124 127 A V E -ef 100 235A 0 110,-2.9 112,-3.1 -2,-0.5 2,-0.6 -0.929 0.6-174.4-111.5 119.3 12.7 -3.0 2.8 125 128 A S E S-ef 101 236A 1 -25,-2.3 -23,-2.3 -2,-0.5 112,-0.2 -0.922 76.1 -21.6-117.5 110.7 10.2 -0.2 3.4 126 129 A G S S+ 0 0 1 110,-2.9 -1,-0.2 -2,-0.6 111,-0.1 0.769 104.3 144.7 64.8 24.1 11.3 3.4 2.8 127 130 A G - 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