==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JUN-13 4L2H . COMPND 2 MOLECULE: POLY(ADP-RIBOSE) GLYCOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TETRAHYMENA THERMOPHILA; . AUTHOR A.BRASSINGTON,M.S.DUNSTAN,D.LEYS . 436 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19367.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 305 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 0 0.0 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 1 0 2 2 2 2 0 2 0 2 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 3 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 . 1 1 1 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 14 A D 0 0 118 0, 0.0 2,-0.2 0, 0.0 95,-0.2 0.000 360.0 360.0 360.0 135.6 -24.5 -12.7 -17.7 2 15 A Y E -A 95 0A 39 93,-1.0 93,-2.8 92,-0.1 2,-0.6 -0.510 360.0-151.6 -71.6 141.2 -21.9 -11.2 -15.3 3 16 A Q E -A 94 0A 63 91,-0.2 91,-0.2 -2,-0.2 255,-0.1 -0.954 7.4-142.9-117.1 113.6 -23.2 -8.6 -13.0 4 17 A F E -A 93 0A 3 89,-2.5 89,-2.2 -2,-0.6 2,-0.2 -0.650 30.2-121.7 -74.5 127.6 -20.7 -5.9 -12.0 5 18 A P E -A 92 0A 22 0, 0.0 87,-0.3 0, 0.0 121,-0.2 -0.483 21.6-157.2 -79.3 133.2 -21.6 -5.1 -8.3 6 19 A L > - 0 0 5 85,-2.5 3,-1.8 -2,-0.2 4,-0.5 -0.433 43.4 -88.1 -91.4 172.2 -22.6 -1.6 -7.3 7 20 A P G > S+ 0 0 11 0, 0.0 3,-1.1 0, 0.0 7,-0.3 0.842 123.2 61.7 -61.1 -31.6 -22.2 -0.6 -3.6 8 21 A Q G 3 S+ 0 0 42 82,-0.4 83,-0.1 1,-0.2 6,-0.1 0.717 85.7 76.3 -63.6 -19.7 -25.6 -1.7 -2.6 9 22 A K G < S+ 0 0 112 -3,-1.8 2,-1.2 82,-0.4 -1,-0.2 0.864 87.8 60.1 -60.8 -37.8 -24.9 -5.3 -3.5 10 23 A N S <> S- 0 0 79 -3,-1.1 4,-2.5 -4,-0.5 -1,-0.2 -0.796 77.1-174.2 -88.7 92.1 -22.8 -5.7 -0.3 11 24 A S H > S+ 0 0 74 -2,-1.2 4,-1.2 1,-0.2 -1,-0.2 0.855 75.1 50.0 -64.6 -37.9 -25.7 -4.9 2.0 12 25 A E H > S+ 0 0 133 2,-0.2 4,-0.8 1,-0.2 3,-0.4 0.944 113.7 43.2 -69.6 -44.9 -23.7 -4.9 5.2 13 26 A L H >> S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 3,-0.6 0.892 107.4 62.7 -64.4 -35.5 -20.9 -2.5 4.0 14 27 A W H 3X S+ 0 0 27 -4,-2.5 4,-3.1 -7,-0.3 5,-0.3 0.829 92.4 63.7 -63.2 -30.2 -23.5 -0.3 2.4 15 28 A I H 3X S+ 0 0 118 -4,-1.2 4,-1.5 -3,-0.4 -1,-0.3 0.947 111.4 38.6 -51.7 -48.1 -25.1 0.4 5.8 16 29 A I H S+ 0 0 32 -4,-2.4 6,-2.2 1,-0.2 4,-0.8 0.849 113.4 45.7 -67.4 -33.4 -23.6 12.9 6.6 24 37 A L H <5S+ 0 0 0 -4,-1.5 3,-0.3 -5,-0.2 -2,-0.2 0.923 112.9 49.4 -66.4 -47.9 -21.3 14.5 4.0 25 38 A S H <5S+ 0 0 32 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.886 115.4 43.3 -54.0 -43.4 -24.1 15.3 1.7 26 39 A S H <5S- 0 0 79 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.666 110.6-117.6 -81.6 -16.0 -26.1 17.0 4.4 27 40 A G T <5S+ 0 0 46 -4,-0.8 -3,-0.2 -3,-0.3 -4,-0.1 0.407 78.9 126.4 85.5 3.8 -23.2 18.8 5.9 28 41 A K S S- 0 0 35 1,-0.1 4,-1.4 41,-0.1 -1,-0.2 -0.986 76.6-103.5-156.3 164.9 -8.7 19.4 5.5 34 47 A F H > S+ 0 0 3 -2,-0.3 4,-2.5 1,-0.2 3,-0.2 0.906 120.0 60.8 -63.3 -36.6 -7.5 17.1 2.8 35 48 A Q H > S+ 0 0 100 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 100.2 54.6 -59.5 -34.8 -6.6 14.6 5.5 36 49 A S H > S+ 0 0 15 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.893 106.8 51.2 -66.4 -31.5 -10.2 14.5 6.5 37 50 A L H X S+ 0 0 1 -4,-1.4 4,-2.8 1,-0.2 5,-0.2 0.926 105.9 54.2 -68.3 -44.0 -11.1 13.6 3.0 38 51 A E H X S+ 0 0 16 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.919 106.7 54.3 -49.7 -45.4 -8.5 10.8 3.0 39 52 A S H X S+ 0 0 75 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.893 108.9 45.8 -60.2 -40.0 -10.2 9.5 6.2 40 53 A I H X S+ 0 0 2 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.913 110.7 52.8 -72.2 -37.7 -13.6 9.4 4.5 41 54 A L H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.920 107.1 54.5 -62.0 -36.7 -12.2 7.7 1.4 42 55 A E H X>S+ 0 0 28 -4,-2.4 5,-2.2 -5,-0.2 4,-0.5 0.912 109.5 46.7 -61.0 -40.6 -10.6 5.0 3.7 43 56 A I H ><5S+ 0 0 79 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.950 112.0 49.9 -67.3 -45.8 -14.0 4.3 5.2 44 57 A L H 3<5S+ 0 0 1 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.876 113.8 45.2 -63.6 -36.9 -15.7 4.1 1.8 45 58 A R H 3<5S- 0 0 34 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.513 106.5-127.3 -76.1 -12.1 -13.0 1.7 0.5 46 59 A D T <<5 - 0 0 75 -3,-1.1 -3,-0.2 -4,-0.5 -4,-0.1 0.881 40.5-168.7 53.0 49.3 -13.1 -0.4 3.6 47 60 A S < - 0 0 35 -5,-2.2 -1,-0.2 -6,-0.2 3,-0.1 -0.260 25.0-159.6 -58.8 150.7 -9.4 -0.0 3.9 48 61 A K S S+ 0 0 177 1,-0.1 2,-0.4 -2,-0.0 -1,-0.1 0.759 72.7 36.8 -95.5 -29.3 -7.3 -2.1 6.3 49 62 A N S S- 0 0 123 2,-0.1 2,-0.5 -7,-0.0 -1,-0.1 -0.921 73.6-123.9-131.8 148.4 -4.2 0.0 6.6 50 63 A Q + 0 0 129 -2,-0.4 2,-0.2 -3,-0.1 3,-0.0 -0.806 40.0 150.3-100.5 129.2 -3.3 3.7 6.6 51 64 A N > - 0 0 67 -2,-0.5 3,-2.4 1,-0.0 4,-0.2 -0.786 30.7-158.9-154.6 104.9 -0.9 4.8 3.9 52 65 A D G > S+ 0 0 97 1,-0.3 3,-2.2 -2,-0.2 4,-0.2 0.756 86.8 78.3 -69.3 -17.3 -1.2 8.4 2.8 53 66 A E G > S+ 0 0 84 1,-0.3 89,-2.0 2,-0.2 3,-1.3 0.740 77.3 78.2 -59.3 -15.3 0.6 7.6 -0.4 54 67 A K G < S+ 0 0 28 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.717 103.4 33.2 -62.3 -23.0 -2.8 6.1 -1.5 55 68 A Y G <> S+ 0 0 2 -3,-2.2 4,-2.9 -4,-0.2 3,-0.3 0.208 81.9 119.4-118.6 14.4 -4.0 9.6 -2.2 56 69 A F H <> S+ 0 0 69 -3,-1.3 4,-1.9 1,-0.2 85,-0.2 0.819 78.3 43.1 -50.1 -48.3 -0.8 11.3 -3.4 57 70 A N H > S+ 0 0 0 83,-2.6 4,-1.7 -4,-0.3 -1,-0.2 0.811 114.2 49.4 -73.7 -34.1 -2.0 12.2 -6.9 58 71 A L H > S+ 0 0 3 82,-0.6 4,-2.3 -3,-0.3 -2,-0.2 0.911 111.0 51.8 -67.9 -40.9 -5.5 13.4 -5.8 59 72 A K H X S+ 0 0 65 -4,-2.9 4,-3.1 81,-0.2 -2,-0.2 0.904 106.3 55.2 -60.3 -41.5 -3.7 15.5 -3.1 60 73 A A H X S+ 0 0 24 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.914 109.1 45.8 -58.4 -44.6 -1.4 17.0 -5.8 61 74 A V H X S+ 0 0 7 -4,-1.7 4,-0.6 2,-0.2 3,-0.5 0.923 114.1 49.6 -63.8 -44.7 -4.4 18.1 -7.9 62 75 A F H >< S+ 0 0 8 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.931 107.8 53.4 -59.5 -43.8 -6.1 19.6 -4.7 63 76 A E H 3< S+ 0 0 88 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.711 102.1 60.6 -72.7 -16.7 -2.9 21.5 -3.7 64 77 A Q H 3< S+ 0 0 108 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.661 88.9 90.2 -77.8 -17.4 -2.8 23.1 -7.1 65 78 A L S << S- 0 0 30 -3,-1.4 2,-0.0 -4,-0.6 -3,-0.0 -0.420 87.6-104.9 -70.0 153.6 -6.2 24.7 -6.6 66 79 A D > - 0 0 95 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.285 36.9-100.1 -71.6 167.9 -6.4 28.1 -5.0 67 80 A K H > S+ 0 0 140 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.891 123.1 51.6 -63.4 -35.6 -7.6 28.4 -1.4 68 81 A E H > S+ 0 0 138 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 112.5 44.9 -64.8 -44.9 -11.2 29.3 -2.4 69 82 A E H > S+ 0 0 53 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.838 108.2 57.8 -73.6 -26.8 -11.4 26.3 -4.7 70 83 A Q H X S+ 0 0 22 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.916 109.1 46.3 -59.8 -43.8 -9.9 24.0 -2.0 71 84 A T H X S+ 0 0 70 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.918 112.9 50.0 -62.4 -47.3 -12.8 25.2 0.3 72 85 A Y H X>S+ 0 0 57 -4,-2.1 5,-2.7 2,-0.2 4,-2.4 0.918 109.1 52.1 -53.5 -47.6 -15.2 24.5 -2.6 73 86 A F H <>S+ 0 0 5 -4,-2.8 5,-2.5 1,-0.2 -2,-0.2 0.940 118.3 35.5 -58.6 -46.2 -13.7 21.1 -3.2 74 87 A L H <5S+ 0 0 11 -4,-2.1 -43,-0.5 3,-0.2 -1,-0.2 0.868 126.9 33.7 -73.9 -47.0 -14.1 20.0 0.5 75 88 A E H <5S+ 0 0 106 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.654 134.7 13.3 -90.3 -21.5 -17.3 21.7 1.5 76 89 A Q T X5S+ 0 0 95 -4,-2.4 4,-2.3 -5,-0.3 -3,-0.2 0.655 121.9 47.8-121.8 -52.2 -19.4 21.6 -1.7 77 90 A F H > S+ 0 0 15 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.911 111.8 51.0 -55.1 -43.4 -20.7 16.5 -0.6 80 93 A K H X S+ 0 0 93 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.870 109.8 47.2 -67.6 -32.5 -22.5 17.0 -3.9 81 94 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.844 108.6 55.7 -79.9 -27.0 -20.9 13.9 -5.5 82 95 A C H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.919 105.9 53.2 -59.2 -41.3 -21.8 11.9 -2.4 83 96 A Q H X S+ 0 0 99 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.893 105.5 53.3 -61.6 -40.8 -25.4 13.0 -3.0 84 97 A L H >< S+ 0 0 20 -4,-1.7 3,-1.3 2,-0.2 4,-0.5 0.926 106.7 51.6 -59.3 -46.9 -25.1 11.7 -6.6 85 98 A V H >< S+ 0 0 2 -4,-2.1 3,-1.7 1,-0.3 -2,-0.2 0.935 104.7 57.9 -56.2 -39.9 -24.0 8.3 -5.3 86 99 A L H 3< S+ 0 0 49 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.622 96.8 63.4 -66.3 -15.9 -27.0 8.3 -3.0 87 100 A K T << S+ 0 0 93 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.599 75.9 111.4 -79.8 -13.6 -29.3 8.7 -6.0 88 101 A I < + 0 0 9 -3,-1.7 -3,-0.0 -4,-0.5 24,-0.0 -0.394 38.7 177.0 -62.2 131.8 -28.2 5.3 -7.4 89 102 A K + 0 0 190 -2,-0.1 -1,-0.2 -81,-0.0 2,-0.1 0.674 51.8 89.6-107.1 -20.9 -31.1 2.7 -7.3 90 103 A K - 0 0 86 1,-0.1 -82,-0.4 -82,-0.0 -81,-0.1 -0.409 55.1-161.2 -79.4 152.1 -29.4 -0.2 -9.0 91 104 A K S S+ 0 0 111 1,-0.3 -85,-2.5 -83,-0.1 -82,-0.4 0.507 76.3 3.7-103.3 -12.4 -27.4 -2.9 -7.1 92 105 A Q E -A 5 0A 68 -87,-0.3 2,-0.4 -84,-0.1 -1,-0.3 -0.978 65.9-125.4-165.6 163.3 -25.5 -4.2 -10.1 93 106 A L E -A 4 0A 7 -89,-2.2 -89,-2.5 -2,-0.3 2,-0.2 -0.966 31.0-115.5-127.0 131.1 -24.9 -3.5 -13.9 94 107 A K E -A 3 0A 84 -2,-0.4 2,-0.5 -91,-0.2 -91,-0.2 -0.484 20.3-167.5 -71.6 132.1 -25.4 -6.2 -16.6 95 108 A N E +A 2 0A 9 -93,-2.8 -93,-1.0 -2,-0.2 2,-0.3 -0.833 21.7 176.9-116.1 87.4 -22.4 -7.3 -18.6 96 109 A Q - 0 0 51 -2,-0.5 8,-0.1 162,-0.3 86,-0.1 -0.737 28.1-146.8-100.2 140.7 -23.9 -9.3 -21.4 97 110 A I - 0 0 59 -2,-0.3 6,-0.1 6,-0.1 -2,-0.0 -0.914 31.0-130.8 -98.7 113.6 -22.2 -10.9 -24.4 98 111 A P - 0 0 9 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.274 17.9-115.1 -66.8 150.3 -24.6 -10.7 -27.4 99 112 A K > - 0 0 93 1,-0.2 3,-2.4 4,-0.1 85,-0.3 -0.266 59.6 -53.0 -70.6 172.3 -25.4 -13.8 -29.4 100 113 A E T 3 S+ 0 0 99 1,-0.3 -1,-0.2 85,-0.1 3,-0.1 -0.190 127.9 1.5 -53.2 132.6 -24.4 -13.9 -33.1 101 114 A S T 3 S+ 0 0 78 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.574 110.9 112.2 61.8 17.6 -25.7 -10.9 -35.0 102 115 A K < - 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0 0 88 -89,-2.0 2,-0.3 -2,-0.1 -1,-0.1 -0.540 32.8-156.2 -69.0 123.8 1.9 7.3 -5.7 143 156 A D - 0 0 44 -2,-0.4 6,-0.1 2,-0.2 -1,-0.0 -0.654 23.5-122.9 -88.4 157.4 4.0 5.6 -8.3 144 157 A L S S+ 0 0 184 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.675 95.7 73.1 -70.9 -24.1 7.7 5.3 -8.1 145 158 A V S >> S- 0 0 71 1,-0.1 4,-1.8 2,-0.0 3,-0.8 -0.887 74.0-147.6-102.1 120.6 8.1 7.1 -11.5 146 159 A Q H 3> S+ 0 0 132 -2,-0.6 4,-2.1 1,-0.3 5,-0.2 0.878 96.1 54.6 -51.7 -44.5 7.5 10.9 -11.5 147 160 A Q H 3> S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.825 104.5 55.4 -68.2 -30.3 6.1 11.1 -15.0 148 161 A I H <> S+ 0 0 14 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.910 106.5 51.3 -68.9 -40.2 3.5 8.3 -14.2 149 162 A N H X S+ 0 0 3 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.922 108.8 50.9 -59.5 -44.3 2.3 10.5 -11.3 150 163 A I H X S+ 0 0 36 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.932 108.9 51.1 -62.0 -43.5 1.9 13.5 -13.6 151 164 A R H X S+ 0 0 41 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.944 112.3 47.4 -55.0 -48.0 -0.1 11.3 -16.1 152 165 A R H X S+ 0 0 6 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.931 111.3 49.9 -62.0 -43.0 -2.3 10.3 -13.2 153 166 A Q H X S+ 0 0 12 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.894 109.2 51.9 -60.6 -43.8 -2.8 13.8 -11.9 154 167 A E H X S+ 0 0 9 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.852 108.7 50.5 -65.4 -36.2 -3.7 15.1 -15.4 155 168 A K H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.930 108.0 53.7 -62.6 -49.4 -6.3 12.4 -15.7 156 169 A I H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.905 104.4 55.8 -50.4 -50.4 -7.7 13.4 -12.3 157 170 A K H X S+ 0 0 37 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.911 107.8 48.1 -54.1 -41.0 -8.0 17.0 -13.5 158 171 A C H X S+ 0 0 0 -4,-1.5 4,-2.0 -3,-0.2 -2,-0.2 0.906 113.0 47.1 -66.5 -40.3 -10.1 15.9 -16.5 159 172 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.883 112.2 50.2 -69.8 -42.2 -12.4 13.7 -14.4 160 173 A Y H X S+ 0 0 9 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.928 108.8 52.1 -58.5 -44.5 -12.8 16.5 -11.8 161 174 A E H X S+ 0 0 7 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.918 110.4 48.9 -60.7 -48.7 -13.7 19.1 -14.5 162 175 A Y H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.949 110.2 50.1 -56.3 -48.4 -16.4 16.7 -15.9 163 176 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.897 108.2 52.9 -64.7 -38.5 -17.9 16.1 -12.5 164 177 A K H X S+ 0 0 43 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.915 112.8 45.6 -55.0 -45.5 -18.1 19.9 -11.8 165 178 A Q H >< S+ 0 0 48 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.926 109.3 53.8 -65.7 -42.4 -19.9 20.3 -15.1 166 179 A A H >< S+ 0 0 8 -4,-2.7 3,-1.4 1,-0.3 -1,-0.2 0.839 101.9 60.0 -62.7 -33.9 -22.2 17.3 -14.4 167 180 A L H 3< S+ 0 0 40 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.758 106.7 48.3 -64.8 -24.5 -23.2 19.0 -11.0 168 181 A D T << S+ 0 0 139 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.279 80.3 138.4-100.0 6.9 -24.5 22.0 -13.0 169 182 A F < - 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0 0 7 -5,-2.6 -1,-0.2 -6,-0.1 -31,-0.2 -0.906 58.7-121.8-124.1 156.4 -18.7 6.0 -46.7 379 392 A K E - h 0 347B 94 -33,-2.4 -31,-2.5 -2,-0.3 2,-0.4 -0.506 28.8-142.9 -87.0 160.2 -16.1 8.7 -47.1 380 393 A M E -dh 206 348B 1 -175,-1.9 -173,-2.4 -33,-0.2 2,-0.5 -0.986 10.9-154.8-133.7 139.4 -13.1 8.8 -44.8 381 394 A I E -dh 207 349B 8 -33,-3.0 -31,-2.9 -2,-0.4 2,-0.6 -0.976 16.2-159.3-107.9 131.2 -11.0 11.5 -43.1 382 395 A I E -dh 208 350B 0 -175,-2.9 -173,-2.4 -2,-0.5 2,-0.5 -0.944 2.4-158.7-115.4 117.1 -7.4 10.5 -42.3 383 396 A C E -d 209 0B 9 -33,-2.3 -31,-0.5 -2,-0.6 -173,-0.2 -0.824 2.8-167.6 -90.5 124.5 -5.6 12.4 -39.7 384 397 A T - 0 0 0 -175,-2.8 -174,-0.2 -2,-0.5 -1,-0.1 0.552 32.4-126.4 -94.8 -6.4 -1.8 12.0 -40.1 385 398 A F S S- 0 0 103 -176,-0.5 -174,-0.1 -173,-0.4 -175,-0.1 0.964 73.2 -44.6 65.6 51.2 -0.8 13.5 -36.7 386 399 A Q S S+ 0 0 140 -176,-1.7 2,-0.3 1,-0.2 -1,-0.2 0.938 100.4 134.6 58.0 52.1 1.6 16.1 -38.0 387 400 A D > + 0 0 43 1,-0.1 4,-2.1 -177,-0.0 3,-0.3 -0.806 27.4 178.3-133.0 88.3 3.4 13.8 -40.5 388 401 A E H > S+ 0 0 55 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.842 77.8 57.1 -67.6 -36.0 3.7 15.8 -43.7 389 402 A Q H > S+ 0 0 143 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.881 108.0 46.7 -64.8 -41.3 5.6 13.1 -45.6 390 403 A T H > S+ 0 0 21 -3,-0.3 4,-2.8 2,-0.2 5,-0.3 0.896 109.4 55.1 -65.0 -42.1 2.8 10.6 -45.1 391 404 A T H X S+ 0 0 26 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.954 109.3 47.4 -54.7 -47.8 0.2 13.1 -46.1 392 405 A K H X S+ 0 0 83 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.902 113.7 46.8 -62.1 -41.6 2.1 13.7 -49.4 393 406 A Q H X S+ 0 0 44 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.918 113.9 46.7 -66.4 -48.0 2.4 9.9 -50.1 394 407 A I H X S+ 0 0 0 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.884 108.6 56.3 -64.1 -39.5 -1.2 9.2 -49.3 395 408 A Q H X S+ 0 0 74 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.925 108.8 47.5 -59.2 -41.3 -2.4 12.1 -51.4 396 409 A Q H X S+ 0 0 97 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.891 113.6 46.6 -65.5 -41.2 -0.6 10.6 -54.4 397 410 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.936 112.9 50.5 -68.2 -40.0 -2.0 7.1 -53.8 398 411 A F H X S+ 0 0 15 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.921 109.1 50.4 -62.1 -47.8 -5.5 8.6 -53.4 399 412 A D H < S+ 0 0 79 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.867 115.6 43.9 -60.1 -34.3 -5.2 10.6 -56.6 400 413 A L H < S+ 0 0 63 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.901 124.0 30.8 -74.2 -45.3 -4.1 7.5 -58.5 401 414 A Y H >< S+ 0 0 22 -4,-2.7 3,-2.4 -5,-0.1 -198,-0.3 0.515 80.8 127.2-100.0 -6.5 -6.6 5.0 -57.1 402 415 A K T 3< S+ 0 0 87 -4,-2.1 -198,-0.2 1,-0.3 3,-0.1 -0.259 85.6 7.8 -55.8 137.3 -9.7 7.0 -56.3 403 416 A Q T 3 S+ 0 0 84 -200,-1.9 -1,-0.3 1,-0.2 2,-0.2 0.544 101.8 129.1 62.0 14.9 -12.8 5.5 -57.9 404 417 A K S < S- 0 0 114 -3,-2.4 -201,-2.7 1,-0.1 -1,-0.2 -0.526 73.4 -75.2 -90.2 166.0 -10.8 2.4 -59.0 405 418 A N B > -J 202 0D 45 -203,-0.2 4,-2.1 -2,-0.2 -203,-0.2 -0.352 36.3-153.1 -66.6 123.7 -11.9 -1.2 -58.3 406 419 A A H > S+ 0 0 0 -205,-2.9 4,-2.4 -208,-0.4 -207,-0.1 0.788 91.2 57.2 -67.5 -34.4 -11.3 -2.1 -54.6 407 420 A S H > S+ 0 0 8 -209,-1.0 4,-2.2 -206,-0.4 -1,-0.2 0.935 111.1 43.2 -64.5 -44.5 -10.9 -5.9 -55.3 408 421 A I H > S+ 0 0 83 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.926 111.6 54.4 -70.3 -39.0 -8.0 -5.2 -57.7 409 422 A F H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.942 107.9 50.2 -56.5 -47.1 -6.5 -2.6 -55.4 410 423 A L H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.931 110.2 50.6 -57.9 -44.6 -6.5 -5.2 -52.5 411 424 A K H X S+ 0 0 97 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.876 108.1 51.9 -63.3 -37.4 -4.8 -7.7 -54.8 412 425 A L H X S+ 0 0 44 -4,-2.5 4,-0.7 2,-0.2 3,-0.5 0.917 110.0 50.0 -62.5 -44.2 -2.1 -5.1 -55.8 413 426 A V H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.941 109.6 50.6 -53.4 -44.9 -1.5 -4.5 -52.1 414 427 A M H 3< S+ 0 0 35 -4,-2.4 4,-0.3 1,-0.3 -1,-0.2 0.699 103.2 60.1 -78.3 -15.5 -1.2 -8.2 -51.4 415 428 A D H >X S+ 0 0 98 -4,-1.1 3,-0.8 -3,-0.5 4,-0.7 0.665 85.6 84.5 -76.1 -21.3 1.4 -8.6 -54.3 416 429 A Y G X< S+ 0 0 25 -3,-1.2 3,-1.4 -4,-0.7 6,-0.3 0.883 79.9 55.8 -55.5 -46.8 3.8 -6.2 -52.7 417 430 A P G 34 S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.787 114.5 38.8 -63.9 -24.9 5.6 -8.5 -50.3 418 431 A N G <4 S+ 0 0 168 -3,-0.8 -2,-0.2 -4,-0.3 -3,-0.1 0.461 100.5 105.6 -99.2 1.0 6.7 -10.9 -53.0 419 432 A S S X< S- 0 0 31 -3,-1.4 3,-1.3 -4,-0.7 4,-0.3 -0.226 84.9-111.7 -80.1 165.8 7.4 -8.1 -55.5 420 433 A K T 3 S+ 0 0 176 1,-0.3 4,-0.3 2,-0.1 3,-0.2 0.600 115.0 62.5 -70.0 -7.2 10.7 -6.7 -56.7 421 434 A Y T 3> S+ 0 0 49 -5,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.554 76.1 88.0 -92.6 -13.2 9.8 -3.6 -54.9 422 435 A M T <4 S+ 0 0 88 -3,-1.3 -1,-0.2 -6,-0.3 -2,-0.1 0.842 85.8 52.9 -58.9 -37.6 9.7 -5.0 -51.3 423 436 A E T 4 S+ 0 0 160 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.902 124.9 17.5 -68.1 -43.4 13.3 -4.4 -50.6 424 437 A D T 4 S+ 0 0 133 -4,-0.3 2,-0.4 -3,-0.2 -2,-0.2 0.403 115.6 63.6-111.2 -3.8 13.7 -0.8 -51.5 425 438 A Y < - 0 0 78 -4,-2.2 2,-0.1 4,-0.0 -1,-0.0 -0.953 68.3-131.7-126.8 143.9 10.1 0.7 -51.5 426 439 A T > - 0 0 51 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.383 41.0 -99.5 -73.9 167.7 7.4 1.1 -48.9 427 440 A L H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.931 125.7 47.6 -53.1 -49.4 3.9 -0.1 -49.7 428 441 A L H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.894 111.1 51.1 -61.7 -39.3 2.8 3.4 -50.6 429 442 A E H > S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 110.0 50.2 -64.1 -40.3 5.9 4.0 -52.7 430 443 A Y H X S+ 0 0 7 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.905 106.9 54.1 -62.1 -45.0 5.2 0.8 -54.6 431 444 A L H < S+ 0 0 0 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.901 112.0 45.6 -58.6 -38.4 1.5 1.8 -55.2 432 445 A I H >< S+ 0 0 23 -4,-1.9 3,-1.4 1,-0.2 4,-0.4 0.901 108.0 56.8 -67.7 -45.3 2.8 5.0 -56.7 433 446 A E H >< S+ 0 0 57 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.856 94.7 66.8 -58.6 -31.1 5.5 3.2 -58.8 434 447 A L T 3< S+ 0 0 72 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.763 103.8 46.7 -61.3 -22.7 2.8 1.1 -60.4 435 448 A G T < 0 0 49 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.509 360.0 360.0 -94.8 -1.2 1.5 4.2 -62.1 436 449 A K < 0 0 188 -3,-1.6 -3,-0.0 -4,-0.4 -4,-0.0 -0.507 360.0 360.0 -79.0 360.0 4.9 5.6 -63.3