==== 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 TRANSFERASE 26-APR-02 1LL2 . COMPND 2 MOLECULE: GLYCOGENIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR B.J.GIBBONS,P.J.ROACH,T.D.HURLEY . 255 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12093.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 15 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 2 1 1 0 1 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 2 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 PARALLEL BRIDGES PER LADDER . 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 A M 0 0 103 0, 0.0 33,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.1 21.6 -34.6 63.6 2 2 A T + 0 0 109 31,-0.1 31,-0.1 1,-0.1 3,-0.0 0.536 360.0 53.5-115.3 -12.8 20.6 -31.0 64.3 3 3 A D S S+ 0 0 63 92,-0.1 93,-3.0 93,-0.0 94,-1.1 0.374 101.0 66.2-104.7 4.8 16.8 -31.1 63.5 4 4 A Q E +a 97 0A 22 91,-0.2 30,-2.3 92,-0.2 2,-0.3 -0.957 63.5 164.5-123.7 144.9 16.0 -34.0 65.8 5 5 A A E -ab 98 34A 0 92,-1.5 94,-1.9 -2,-0.4 2,-0.4 -0.999 40.4-116.3-158.5 158.7 16.2 -34.1 69.6 6 6 A F E -ab 99 35A 5 28,-2.5 30,-2.8 -2,-0.3 2,-0.4 -0.801 37.5-160.7 -92.1 139.0 15.3 -35.7 72.9 7 7 A V E +ab 100 36A 1 92,-2.6 94,-2.6 -2,-0.4 30,-0.2 -0.990 13.7 173.3-128.3 126.4 13.2 -33.3 74.9 8 8 A T E - b 0 37A 2 28,-2.0 30,-2.6 -2,-0.4 2,-0.3 -0.635 16.8-135.9-120.3-175.8 12.6 -33.5 78.7 9 9 A L E + b 0 38A 16 92,-0.4 94,-0.4 28,-0.2 2,-0.3 -0.999 19.7 169.7-148.4 143.9 10.9 -31.3 81.2 10 10 A T E - b 0 39A 2 28,-2.1 30,-0.6 -2,-0.3 33,-0.1 -0.927 12.7-179.6-155.5 127.4 11.4 -29.9 84.7 11 11 A T S S+ 0 0 38 -2,-0.3 2,-0.3 28,-0.2 31,-0.2 0.435 75.8 24.2-103.7 -4.1 9.4 -27.2 86.6 12 12 A N S > S- 0 0 58 31,-0.1 4,-1.1 1,-0.0 31,-0.2 -0.917 85.7 -96.1-150.7 177.0 11.6 -27.3 89.7 13 13 A D H > S+ 0 0 56 29,-0.3 4,-1.1 -2,-0.3 30,-0.1 0.798 114.7 60.2 -69.9 -29.9 15.0 -28.2 91.1 14 14 A A H >> S+ 0 0 37 1,-0.2 4,-0.8 2,-0.2 3,-0.8 0.970 111.5 38.2 -63.5 -53.2 14.0 -31.7 92.3 15 15 A Y H 3> S+ 0 0 82 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.712 104.9 70.1 -71.5 -17.6 13.1 -32.8 88.8 16 16 A A H 3X S+ 0 0 0 -4,-1.1 4,-2.6 1,-0.2 -1,-0.2 0.854 93.8 57.5 -65.6 -32.2 16.1 -30.9 87.4 17 17 A K H S+ 0 0 6 -4,-1.9 5,-1.4 2,-0.2 -1,-0.2 0.888 113.4 43.4 -70.2 -38.3 22.0 -39.9 76.7 27 27 A K H ><5S+ 0 0 100 -4,-1.7 3,-2.1 1,-0.2 -2,-0.2 0.913 109.1 58.5 -70.6 -41.6 25.5 -38.4 76.2 28 28 A Q H 3<5S+ 0 0 113 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.818 106.7 48.3 -56.5 -33.0 27.1 -41.4 77.9 29 29 A H T 3<5S- 0 0 49 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.063 118.3-113.2 -99.4 25.7 25.5 -43.7 75.3 30 30 A R T < 5 - 0 0 216 -3,-2.1 -3,-0.2 1,-0.1 2,-0.2 0.877 39.4-169.4 47.6 61.2 26.7 -41.5 72.4 31 31 A T < - 0 0 25 -5,-1.4 -1,-0.1 1,-0.1 79,-0.0 -0.520 16.7-154.7 -75.3 146.7 23.4 -40.0 71.0 32 32 A S + 0 0 64 -2,-0.2 2,-0.1 2,-0.1 -1,-0.1 0.382 69.3 87.6 -99.8 1.4 23.9 -38.2 67.7 33 33 A R S S- 0 0 46 1,-0.1 -28,-0.2 -30,-0.1 -31,-0.1 -0.457 84.8 -95.3 -97.2 170.2 20.8 -36.1 68.3 34 34 A R E -b 5 0A 93 -30,-2.3 -28,-2.5 -2,-0.1 2,-0.5 -0.417 29.6-136.6 -81.0 160.4 20.3 -32.8 70.1 35 35 A L E +b 6 0A 2 -30,-0.2 22,-1.8 -2,-0.1 21,-1.5 -0.982 25.7 174.9-122.3 124.2 19.3 -32.6 73.7 36 36 A A E -bc 7 57A 0 -30,-2.8 -28,-2.0 -2,-0.5 2,-0.4 -0.946 11.4-162.9-130.1 150.6 16.7 -30.0 74.8 37 37 A V E -bc 8 58A 0 20,-2.1 22,-2.8 -2,-0.3 2,-0.5 -0.992 14.0-142.3-139.2 130.7 14.9 -29.3 78.1 38 38 A L E +bc 9 59A 0 -30,-2.6 -28,-2.1 -2,-0.4 2,-0.3 -0.768 32.8 173.1 -87.0 128.6 11.8 -27.3 78.9 39 39 A T E -bc 10 60A 0 20,-3.1 22,-3.6 -2,-0.5 -28,-0.2 -0.847 22.7-139.1-131.6 169.0 12.2 -25.4 82.1 40 40 A T > - 0 0 7 -30,-0.6 3,-2.0 -2,-0.3 22,-0.2 -0.794 36.9-100.3-122.4 166.5 10.2 -22.8 84.1 41 41 A P T 3 S+ 0 0 59 0, 0.0 21,-0.1 0, 0.0 -30,-0.1 0.686 115.2 74.4 -62.0 -15.2 11.4 -19.7 86.0 42 42 A Q T 3 S+ 0 0 111 -31,-0.2 2,-0.6 2,-0.1 -29,-0.3 0.596 70.3 98.7 -74.7 -10.4 11.1 -21.7 89.2 43 43 A V S < S- 0 0 4 -3,-2.0 -31,-0.1 -31,-0.2 -4,-0.0 -0.700 82.4-120.6 -78.3 122.4 14.3 -23.7 88.3 44 44 A S > - 0 0 42 -2,-0.6 4,-2.7 1,-0.1 5,-0.2 -0.090 16.7-109.8 -61.2 161.6 17.1 -22.0 90.3 45 45 A D H > S+ 0 0 118 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.851 117.0 56.3 -60.9 -37.9 20.1 -20.4 88.6 46 46 A T H > S+ 0 0 81 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.937 112.5 40.6 -61.3 -47.6 22.4 -23.2 89.9 47 47 A M H > S+ 0 0 11 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.907 113.6 54.6 -68.1 -41.0 20.3 -25.9 88.3 48 48 A R H X S+ 0 0 39 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.925 106.2 50.9 -59.1 -46.0 19.8 -23.8 85.1 49 49 A K H X S+ 0 0 134 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.898 111.5 48.5 -58.7 -40.7 23.6 -23.4 84.7 50 50 A A H >X S+ 0 0 3 -4,-1.5 4,-2.2 1,-0.2 3,-0.8 0.933 111.3 50.0 -64.5 -44.8 24.0 -27.1 85.0 51 51 A L H 3X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.3 -2,-0.2 0.843 104.0 58.9 -62.0 -34.6 21.2 -27.7 82.5 52 52 A E H 3< S+ 0 0 102 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.778 110.0 45.3 -65.5 -26.0 22.9 -25.2 80.1 53 53 A I H << S+ 0 0 114 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.913 117.8 38.8 -82.7 -48.2 25.9 -27.5 80.1 54 54 A V H < S+ 0 0 8 -4,-2.2 2,-0.3 2,-0.0 -2,-0.2 0.854 114.0 58.5 -73.2 -35.9 24.3 -30.9 79.8 55 55 A F < - 0 0 7 -4,-2.6 -19,-0.2 -5,-0.2 3,-0.1 -0.742 69.9-143.3-100.9 146.4 21.6 -29.8 77.3 56 56 A D S S+ 0 0 66 -21,-1.5 2,-0.4 -2,-0.3 -20,-0.2 0.808 92.6 23.1 -71.5 -30.0 22.2 -28.2 73.8 57 57 A E E -c 36 0A 66 -22,-1.8 -20,-2.1 -6,-0.1 2,-0.6 -0.987 61.9-165.0-144.6 131.5 19.1 -26.1 74.4 58 58 A V E -c 37 0A 22 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.963 14.2-164.8-115.8 115.6 17.3 -24.9 77.5 59 59 A I E -c 38 0A 33 -22,-2.8 -20,-3.1 -2,-0.6 2,-0.5 -0.836 8.6-146.0-102.7 138.7 13.8 -23.4 76.8 60 60 A T E -c 39 0A 80 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.918 16.5-176.8-108.7 123.6 12.0 -21.4 79.4 61 61 A V - 0 0 8 -22,-3.6 2,-0.4 -2,-0.5 3,-0.1 -0.969 7.3-176.8-120.0 130.2 8.2 -21.7 79.6 62 62 A D > + 0 0 52 -2,-0.4 3,-1.5 -22,-0.2 6,-0.3 -0.780 10.6 171.0-129.8 89.2 6.1 -19.6 82.0 63 63 A I T 3 S+ 0 0 13 -2,-0.4 11,-0.2 1,-0.3 -1,-0.1 0.629 76.9 72.1 -72.1 -10.9 2.4 -20.5 81.9 64 64 A L T 3 S+ 0 0 105 -3,-0.1 2,-0.4 10,-0.1 -1,-0.3 0.618 83.4 88.2 -76.7 -11.8 1.9 -18.3 85.0 65 65 A D S X S- 0 0 88 -3,-1.5 3,-2.1 1,-0.1 6,-0.3 -0.738 80.8-135.3 -91.6 134.7 2.4 -15.3 82.6 66 66 A S T 3 S+ 0 0 101 -2,-0.4 6,-0.2 1,-0.3 -1,-0.1 0.679 102.4 68.2 -58.9 -20.1 -0.6 -13.8 80.8 67 67 A G T 3 S+ 0 0 67 -5,-0.1 2,-0.3 4,-0.1 -1,-0.3 0.636 79.0 96.3 -77.0 -13.8 1.6 -13.7 77.6 68 68 A D S X S- 0 0 29 -3,-2.1 3,-1.5 -6,-0.3 4,-0.4 -0.593 76.6-133.9 -81.0 137.6 1.7 -17.5 77.4 69 69 A S T 3 S+ 0 0 71 -2,-0.3 4,-0.3 1,-0.3 3,-0.2 0.738 106.3 50.0 -60.0 -24.5 -0.8 -19.2 75.1 70 70 A A T 3> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.1 -1,-0.3 0.528 82.4 96.1 -93.0 -6.8 -1.7 -21.8 77.7 71 71 A H H <> S+ 0 0 27 -3,-1.5 4,-1.8 -6,-0.3 3,-0.2 0.893 82.3 49.6 -50.0 -51.4 -2.2 -19.2 80.6 72 72 A L H > S+ 0 0 138 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.893 109.6 51.3 -58.0 -42.3 -6.0 -19.0 80.2 73 73 A T H > S+ 0 0 10 -4,-0.3 4,-3.4 1,-0.2 -1,-0.2 0.851 106.8 56.2 -64.6 -31.9 -6.4 -22.8 80.2 74 74 A L H < S+ 0 0 15 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.900 105.4 50.1 -65.2 -41.6 -4.3 -22.9 83.4 75 75 A M H < S+ 0 0 106 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.899 116.8 42.3 -62.7 -41.0 -6.8 -20.5 85.1 76 76 A K H < S+ 0 0 117 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.925 128.2 27.0 -72.0 -47.7 -9.7 -22.7 84.1 77 77 A R >< + 0 0 58 -4,-3.4 3,-1.8 -5,-0.2 -1,-0.2 -0.723 64.5 173.3-122.9 83.0 -8.0 -26.1 84.8 78 78 A P G > S+ 0 0 90 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.760 75.3 67.7 -56.9 -31.2 -5.4 -25.7 87.6 79 79 A E G 3 S+ 0 0 104 1,-0.3 4,-0.2 2,-0.1 3,-0.2 0.625 93.6 61.7 -68.9 -9.9 -4.7 -29.4 87.8 80 80 A L G <> + 0 0 0 -3,-1.8 4,-3.5 -6,-0.2 5,-0.3 0.229 66.5 114.5-100.4 14.3 -3.2 -29.3 84.3 81 81 A G H <> S+ 0 0 16 -3,-1.5 4,-1.8 1,-0.2 5,-0.2 0.924 83.0 38.6 -48.5 -56.7 -0.4 -26.9 85.2 82 82 A V H > S+ 0 0 87 -3,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.909 116.5 53.5 -63.3 -41.6 2.4 -29.5 84.5 83 83 A T H > S+ 0 0 4 -4,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.921 107.1 50.6 -58.5 -46.9 0.5 -30.8 81.5 84 84 A L H < S+ 0 0 0 -4,-3.5 4,-0.5 2,-0.2 -1,-0.2 0.874 111.2 48.0 -62.1 -37.7 0.2 -27.4 79.9 85 85 A T H >< S+ 0 0 4 -4,-1.8 3,-1.5 -5,-0.3 -1,-0.2 0.944 110.9 52.6 -66.8 -45.3 3.9 -26.7 80.3 86 86 A K H >< S+ 0 0 4 -4,-2.6 3,-2.4 1,-0.3 -2,-0.2 0.872 97.9 64.7 -56.5 -41.2 4.7 -30.2 78.9 87 87 A L G >< S+ 0 0 1 -4,-2.4 3,-1.9 1,-0.3 -1,-0.3 0.718 83.2 77.3 -58.1 -20.7 2.5 -29.5 75.8 88 88 A H G X S+ 0 0 14 -3,-1.5 3,-1.6 -4,-0.5 4,-0.3 0.601 71.3 84.1 -66.4 -7.4 4.9 -26.7 74.8 89 89 A C G X S+ 0 0 0 -3,-2.4 3,-1.0 1,-0.3 -1,-0.3 0.825 84.9 58.0 -63.3 -26.3 7.2 -29.6 73.6 90 90 A W G < S+ 0 0 0 -3,-1.9 52,-2.1 1,-0.2 56,-0.3 0.580 93.9 66.5 -78.6 -8.7 5.1 -29.3 70.4 91 91 A S G < S+ 0 0 43 -3,-1.6 2,-2.4 50,-0.2 -1,-0.2 0.529 70.4 99.4 -87.8 -7.3 6.1 -25.7 70.0 92 92 A L X + 0 0 8 -3,-1.0 3,-2.1 -4,-0.3 -1,-0.2 -0.316 41.7 158.6 -78.7 58.8 9.8 -26.6 69.4 93 93 A T T 3 + 0 0 83 -2,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.437 55.8 84.1 -65.2 1.3 9.4 -26.3 65.7 94 94 A Q T 3 S+ 0 0 86 -3,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.640 90.6 61.4 -76.2 -12.5 13.2 -25.9 65.3 95 95 A Y < - 0 0 11 -3,-2.1 -91,-0.2 1,-0.1 3,-0.1 -0.909 69.9-156.0-114.8 142.5 13.1 -29.7 65.4 96 96 A S S S+ 0 0 52 -93,-3.0 2,-0.3 -2,-0.4 -92,-0.2 0.761 83.3 10.6 -85.9 -29.2 11.4 -31.9 62.8 97 97 A K E S-a 4 0A 46 -94,-1.1 -92,-1.5 43,-0.2 2,-0.3 -0.983 70.3-177.6-151.7 139.2 11.0 -34.9 65.1 98 98 A C E -aD 5 139A 0 41,-2.6 41,-2.7 -2,-0.3 2,-0.6 -0.936 24.3-138.8-138.3 160.7 11.6 -35.4 68.8 99 99 A V E -aD 6 138A 0 -94,-1.9 -92,-2.6 -2,-0.3 2,-0.3 -0.966 23.9-149.9-118.3 109.2 11.5 -38.0 71.6 100 100 A F E -aD 7 137A 1 37,-2.9 37,-2.0 -2,-0.6 2,-0.4 -0.652 17.7-175.4 -79.6 139.2 9.9 -36.6 74.7 101 101 A M E - D 0 136A 1 -94,-2.6 -92,-0.4 -2,-0.3 35,-0.2 -0.995 26.0-116.7-139.4 129.6 11.2 -38.3 77.9 102 102 A D > - 0 0 41 33,-2.8 3,-1.0 -2,-0.4 -92,-0.1 -0.234 26.7-120.1 -57.8 150.5 10.1 -37.8 81.5 103 103 A A T 3 S+ 0 0 5 -94,-0.4 -81,-0.3 1,-0.3 -82,-0.2 0.671 111.5 62.9 -68.6 -16.9 12.7 -36.2 83.8 104 104 A D T 3 S+ 0 0 5 -83,-0.1 109,-2.5 31,-0.1 2,-0.3 -0.099 85.4 99.1 -99.6 34.8 12.4 -39.4 86.0 105 105 A T E < -G 212 0B 0 -3,-1.0 2,-0.4 107,-0.2 107,-0.2 -0.797 55.5-154.2-115.1 163.7 13.7 -41.7 83.2 106 106 A L E -G 211 0B 0 105,-2.4 105,-2.8 -2,-0.3 2,-0.4 -0.993 11.0-135.6-141.9 130.0 17.2 -43.2 82.7 107 107 A V E +G 210 0B 3 -2,-0.4 103,-0.2 103,-0.2 3,-0.1 -0.730 20.8 175.0 -91.2 130.1 18.8 -44.3 79.5 108 108 A L + 0 0 43 101,-3.2 2,-0.3 -2,-0.4 102,-0.2 0.492 69.5 12.5-107.2 -10.3 20.8 -47.6 79.6 109 109 A A S S- 0 0 31 100,-1.0 -1,-0.2 -80,-0.0 -80,-0.1 -0.980 96.1 -71.9-160.4 161.3 21.6 -47.9 75.9 110 110 A N + 0 0 65 -2,-0.3 3,-0.1 1,-0.1 -80,-0.1 -0.367 42.3 179.5 -59.4 133.3 21.6 -45.8 72.7 111 111 A I > + 0 0 1 1,-0.1 3,-2.0 -85,-0.1 4,-0.2 0.010 38.5 123.5-127.2 29.1 18.0 -45.3 71.6 112 112 A D G > + 0 0 16 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.690 60.8 77.8 -63.7 -17.7 18.5 -43.2 68.5 113 113 A D G > S+ 0 0 63 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.687 74.6 79.5 -67.5 -11.4 16.6 -45.8 66.5 114 114 A L G X S+ 0 0 0 -3,-2.0 3,-1.8 1,-0.3 -1,-0.3 0.785 77.5 71.1 -63.7 -25.1 13.5 -44.2 68.1 115 115 A F G < S+ 0 0 7 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.512 82.3 71.2 -71.8 0.3 13.8 -41.5 65.5 116 116 A E G < S+ 0 0 142 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.677 87.4 87.5 -83.4 -19.5 12.7 -44.1 62.8 117 117 A R S < S- 0 0 25 -3,-1.8 2,-0.3 -4,-0.3 64,-0.1 -0.287 72.3-131.5 -79.7 164.4 9.2 -43.9 64.4 118 118 A E - 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0 0 24 -52,-2.1 4,-2.6 1,-0.1 5,-0.1 -0.843 45.3-146.5-168.7 127.8 3.8 -28.4 65.2 143 143 A V H > S+ 0 0 80 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.881 106.1 53.5 -64.0 -37.3 2.0 -25.2 66.2 144 144 A E H > S+ 0 0 141 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.953 110.3 45.1 -62.5 -49.4 -1.2 -26.7 64.7 145 145 A T H > S+ 0 0 17 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.923 112.4 52.6 -60.3 -44.6 -0.9 -29.8 66.9 146 146 A Y H X S+ 0 0 7 -4,-2.6 4,-2.6 -56,-0.3 5,-0.2 0.952 110.3 47.4 -55.5 -51.5 -0.1 -27.7 69.9 147 147 A N H X S+ 0 0 82 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.863 111.6 51.3 -58.8 -38.0 -3.2 -25.6 69.4 148 148 A Q H X S+ 0 0 88 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.908 111.7 46.1 -67.1 -41.0 -5.3 -28.6 68.9 149 149 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.896 111.9 51.2 -68.0 -41.0 -4.1 -30.2 72.1 150 150 A L H X S+ 0 0 19 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.896 108.4 53.2 -63.0 -39.2 -4.5 -27.0 74.0 151 151 A H H X S+ 0 0 117 -4,-2.0 4,-2.9 -5,-0.2 -1,-0.2 0.899 110.1 46.2 -63.6 -41.9 -8.1 -26.8 72.7 152 152 A V H X>S+ 0 0 24 -4,-1.8 4,-2.8 2,-0.2 5,-1.3 0.895 111.0 53.2 -68.1 -38.7 -9.0 -30.3 73.9 153 153 A A H <5S+ 0 0 0 -4,-2.4 4,-0.5 3,-0.2 -2,-0.2 0.906 115.0 41.3 -61.4 -42.2 -7.3 -29.6 77.3 154 154 A S H <5S+ 0 0 29 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.947 118.4 45.1 -70.3 -49.6 -9.5 -26.4 77.7 155 155 A E H <5S- 0 0 118 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.881 138.7 -3.1 -64.8 -44.5 -12.7 -27.9 76.3 156 156 A Q T <5S- 0 0 115 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.1 0.536 83.4-148.9-130.0 -9.7 -12.7 -31.3 78.2 157 157 A G < - 0 0 3 -5,-1.3 2,-0.4 -4,-0.5 -1,-0.2 -0.408 43.6 -47.8 74.4-152.3 -9.6 -31.6 80.3 158 158 A S > - 0 0 20 -2,-0.1 3,-1.8 -5,-0.1 8,-0.1 -0.983 33.4-136.2-127.6 134.3 -8.0 -35.1 80.9 159 159 A F T 3 S+ 0 0 137 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.668 110.1 35.6 -61.4 -15.5 -9.7 -38.2 82.1 160 160 A D T 3 S- 0 0 75 2,-0.4 -1,-0.3 -3,-0.0 4,-0.1 0.208 112.1-111.8-122.3 15.4 -6.9 -38.9 84.5 161 161 A G S < S+ 0 0 36 -3,-1.8 2,-0.2 1,-0.2 -78,-0.2 0.526 90.4 74.8 69.6 4.9 -6.1 -35.3 85.5 162 162 A G S > S- 0 0 19 -80,-0.1 4,-1.2 -79,-0.1 -2,-0.4 -0.729 98.6 -86.7-135.3-174.4 -2.7 -35.4 83.8 163 163 A D H > S+ 0 0 27 -2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.830 114.9 66.8 -68.4 -30.8 -1.2 -35.3 80.3 164 164 A Q H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.909 102.0 46.2 -58.6 -43.1 -1.5 -39.1 79.8 165 165 A G H > S+ 0 0 0 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.925 115.1 48.1 -64.4 -42.3 -5.3 -39.0 79.7 166 166 A L H X S+ 0 0 0 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.933 113.7 45.4 -62.8 -48.6 -5.2 -35.9 77.4 167 167 A L H X S+ 0 0 0 -4,-3.2 4,-3.1 1,-0.2 -1,-0.2 0.877 112.2 50.8 -65.7 -39.2 -2.6 -37.4 74.9 168 168 A N H < S+ 0 0 12 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.876 111.2 49.4 -66.7 -35.1 -4.4 -40.8 74.8 169 169 A T H >< S+ 0 0 46 -4,-1.8 3,-0.6 -5,-0.2 -2,-0.2 0.914 116.0 42.1 -69.4 -42.2 -7.7 -39.1 74.0 170 170 A F H 3< S+ 0 0 55 -4,-2.3 2,-1.0 1,-0.3 -2,-0.2 0.939 121.3 40.0 -70.7 -47.8 -6.1 -37.0 71.3 171 171 A F T >< S+ 0 0 31 -4,-3.1 3,-0.8 -5,-0.2 -1,-0.3 -0.544 78.2 150.8 -99.0 67.2 -4.0 -39.8 69.8 172 172 A N T < + 0 0 118 -2,-1.0 3,-0.3 -3,-0.6 4,-0.2 0.423 53.0 72.2 -82.8 0.8 -6.8 -42.4 70.2 173 173 A S T >> S+ 0 0 67 1,-0.2 4,-1.4 -3,-0.1 3,-1.1 0.617 71.4 98.0 -87.0 -13.1 -6.0 -44.7 67.4 174 174 A W T <4 S+ 0 0 10 -3,-0.8 3,-0.4 1,-0.2 -1,-0.2 0.812 78.4 48.0 -42.2 -52.3 -2.9 -46.0 69.2 175 175 A A T 34 S+ 0 0 35 -45,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.764 124.4 29.0 -66.9 -26.7 -4.3 -49.2 70.7 176 176 A T T <4 S+ 0 0 124 -3,-1.1 2,-0.4 -4,-0.2 -1,-0.2 0.372 111.6 69.0-116.4 4.2 -5.9 -50.5 67.5 177 177 A T S < S- 0 0 74 -4,-1.4 4,-0.2 -3,-0.4 -1,-0.1 -0.979 92.8 -5.5-137.7 132.6 -3.7 -49.0 64.7 178 178 A D > - 0 0 62 -2,-0.4 3,-2.1 2,-0.1 -1,-0.2 0.965 50.2-145.4 60.4 96.7 -0.1 -49.5 63.5 179 179 A I G > S+ 0 0 134 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.763 97.1 70.0 -60.6 -23.5 1.9 -51.9 65.5 180 180 A R G 3 S+ 0 0 130 1,-0.3 -1,-0.3 3,-0.0 -62,-0.1 0.704 89.6 60.3 -68.5 -19.1 4.9 -49.7 64.8 181 181 A K G < S+ 0 0 57 -3,-2.1 -59,-2.6 -4,-0.2 2,-0.9 0.485 84.9 88.7 -86.6 -1.3 3.5 -47.0 67.0 182 182 A H B < S-f 122 0A 47 -3,-1.6 -59,-0.2 -4,-0.2 -61,-0.1 -0.847 75.5-151.4 -93.9 100.8 3.7 -49.4 69.9 183 183 A L - 0 0 1 -61,-2.0 -2,-0.1 -2,-0.9 5,-0.0 -0.557 30.2 -96.2 -73.0 138.5 7.2 -48.8 71.2 184 184 A P > - 0 0 51 0, 0.0 3,-2.2 0, 0.0 4,-0.1 -0.221 32.2-116.4 -53.3 145.7 8.6 -52.0 72.9 185 185 A F G > S+ 0 0 71 1,-0.3 3,-1.8 2,-0.2 25,-0.1 0.756 111.1 70.9 -57.1 -26.1 8.2 -51.9 76.7 186 186 A I G 3 S+ 0 0 40 1,-0.3 23,-2.6 2,-0.1 24,-2.3 0.559 87.9 63.9 -70.7 -5.9 11.9 -51.8 77.2 187 187 A Y G < S+ 0 0 10 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.381 121.8 19.3 -93.8 0.1 12.0 -48.2 75.9 188 188 A N S < S+ 0 0 3 -3,-1.8 2,-1.0 -4,-0.1 -1,-0.2 -0.271 79.3 178.1-165.8 62.5 9.9 -47.2 78.9 189 189 A L E -h 211 0B 8 21,-2.5 23,-2.7 -3,-0.4 2,-0.4 -0.635 25.3-139.6 -79.2 101.1 10.3 -49.9 81.5 190 190 A S E > -h 212 0B 1 -2,-1.0 3,-2.2 21,-0.2 4,-0.4 -0.485 10.1-136.1 -65.1 116.2 8.2 -48.8 84.5 191 191 A S T > S+ 0 0 26 21,-3.2 3,-0.7 -2,-0.4 -1,-0.2 0.653 102.5 64.5 -46.8 -19.3 10.4 -49.6 87.6 192 192 A I T >> S+ 0 0 82 20,-0.3 3,-3.1 1,-0.2 4,-1.2 0.877 84.0 71.4 -75.2 -36.5 7.1 -50.9 89.2 193 193 A S H <> S+ 0 0 16 -3,-2.2 4,-1.4 1,-0.3 8,-0.3 0.620 80.5 77.9 -54.4 -12.5 6.7 -53.7 86.6 194 194 A I H <4 S+ 0 0 7 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.677 105.5 31.8 -71.3 -17.3 9.7 -55.3 88.3 195 195 A Y H X4 S+ 0 0 205 -3,-3.1 3,-0.9 2,-0.1 -2,-0.2 0.823 115.0 54.9-102.4 -53.8 7.2 -56.4 91.1 196 196 A S H 3< S+ 0 0 111 -4,-1.2 2,-0.3 1,-0.3 -2,-0.1 0.919 130.3 13.1 -46.1 -56.9 3.9 -56.9 89.2 197 197 A Y T 3X S+ 0 0 148 -4,-1.4 4,-1.8 1,-0.1 -1,-0.3 -0.668 72.7 162.0-126.2 74.8 5.4 -59.4 86.7 198 198 A L H <> S+ 0 0 49 -3,-0.9 4,-2.8 -2,-0.3 5,-0.2 0.889 74.5 58.9 -61.0 -41.8 8.8 -60.4 88.1 199 199 A P H > S+ 0 0 82 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.910 107.0 47.8 -55.3 -43.0 9.1 -63.5 85.9 200 200 A A H >>S+ 0 0 23 1,-0.2 4,-2.9 2,-0.2 5,-0.6 0.904 111.0 51.0 -65.0 -41.3 8.8 -61.3 82.8 201 201 A F H X5S+ 0 0 20 -4,-1.8 4,-2.5 -8,-0.3 5,-0.4 0.907 109.3 50.6 -62.9 -40.8 11.4 -58.9 84.2 202 202 A K H <5S+ 0 0 157 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.885 115.9 42.8 -63.7 -37.2 13.8 -61.8 84.8 203 203 A A H <5S+ 0 0 67 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.849 136.9 9.5 -78.3 -36.8 13.2 -63.1 81.3 204 204 A F H ><5S+ 0 0 136 -4,-2.9 3,-2.4 -5,-0.1 -3,-0.2 0.572 98.9 94.9-121.2 -13.6 13.4 -59.8 79.4 205 205 A G G >< - 0 0 16 -2,-0.6 3,-2.4 1,-0.1 4,-0.2 -0.610 37.0-103.1-101.0 162.6 11.8 -40.7 92.8 219 219 A P G > S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.869 121.0 57.1 -50.2 -42.0 15.6 -41.5 92.8 220 220 A W G 3 S+ 0 0 30 1,-0.3 4,-0.1 -206,-0.1 -3,-0.0 0.505 93.5 69.1 -71.1 -3.0 16.4 -38.2 94.5 221 221 A N G < S+ 0 0 100 -3,-2.4 -1,-0.3 2,-0.1 2,-0.2 0.397 90.1 80.9 -93.9 1.9 14.1 -39.2 97.4 222 222 A Y S < S- 0 0 68 -3,-1.6 2,-0.4 -4,-0.2 9,-0.0 -0.638 81.5-118.1-104.1 164.8 16.5 -41.9 98.5 223 223 A T - 0 0 97 9,-0.3 9,-2.1 -2,-0.2 2,-0.5 -0.868 27.9-155.3-101.3 133.6 19.7 -41.7 100.6 224 224 A Y E -I 231 0C 25 -2,-0.4 2,-0.9 7,-0.2 7,-0.2 -0.944 8.2-146.6-119.5 120.1 22.8 -42.8 98.7 225 225 A D E >> -I 230 0C 74 5,-2.2 4,-1.6 -2,-0.5 5,-1.2 -0.714 6.3-164.9 -84.8 106.1 25.9 -44.2 100.5 226 226 A T T 45S+ 0 0 99 -2,-0.9 -1,-0.2 3,-0.2 5,-0.1 0.702 86.3 58.2 -62.4 -20.7 28.9 -43.1 98.4 227 227 A K T 45S+ 0 0 176 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.984 119.8 23.4 -73.5 -63.4 31.0 -45.6 100.3 228 228 A T T 45S- 0 0 87 2,-0.2 -2,-0.2 1,-0.0 -1,-0.2 0.546 104.2-133.1 -79.8 -7.1 29.1 -48.8 99.5 229 229 A K T <5 + 0 0 121 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.941 65.3 110.8 53.6 54.6 27.7 -47.0 96.4 230 230 A S E < -I 225 0C 42 -5,-1.2 -5,-2.2 13,-0.1 -1,-0.2 -0.987 69.1-109.6-156.6 145.8 24.2 -48.1 97.1 231 231 A V E I 224 0C 21 -2,-0.3 -7,-0.2 -7,-0.2 9,-0.1 -0.306 360.0 360.0 -70.7 160.1 20.8 -46.5 98.1 232 232 A R 0 0 242 -9,-2.1 -9,-0.3 4,-0.0 -1,-0.1 -0.744 360.0 360.0-102.9 360.0 19.4 -47.2 101.5 233 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 234 240 A T 0 0 83 0, 0.0 4,-0.2 0, 0.0 -39,-0.0 0.000 360.0 360.0 360.0 6.0 15.1 -55.9 92.1 235 241 A H >> + 0 0 86 2,-0.1 4,-1.9 3,-0.1 3,-0.6 0.683 360.0 72.6-107.8 -28.4 14.8 -52.1 91.9 236 242 A P H 3> S+ 0 0 45 0, 0.0 4,-3.7 0, 0.0 5,-0.4 0.920 85.9 66.3 -54.2 -49.5 18.2 -51.0 93.6 237 243 A Q H 3> S+ 0 0 96 1,-0.3 4,-1.0 2,-0.2 -2,-0.1 0.862 109.4 38.4 -39.9 -47.7 20.3 -52.0 90.6 238 244 A F H <> S+ 0 0 16 -3,-0.6 4,-2.2 2,-0.2 -1,-0.3 0.896 114.7 52.2 -74.3 -41.7 18.6 -49.3 88.6 239 245 A L H X S+ 0 0 4 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.863 108.7 52.8 -62.2 -35.6 18.5 -46.7 91.4 240 246 A N H X S+ 0 0 37 -4,-3.7 4,-2.0 2,-0.2 -1,-0.2 0.803 106.3 52.3 -70.6 -29.4 22.2 -47.3 91.9 241 247 A V H X S+ 0 0 57 -4,-1.0 4,-2.2 -5,-0.4 -2,-0.2 0.929 109.4 50.0 -70.0 -43.4 22.9 -46.6 88.3 242 248 A W H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.950 114.8 43.9 -57.0 -51.1 20.9 -43.3 88.6 243 249 A W H X S+ 0 0 32 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.803 107.5 58.0 -66.8 -30.8 22.9 -42.4 91.7 244 250 A D H X S+ 0 0 64 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.936 112.5 42.1 -64.3 -42.5 26.3 -43.5 90.2 245 251 A I H X>S+ 0 0 8 -4,-2.2 4,-2.8 2,-0.2 5,-1.5 0.912 116.3 47.4 -68.6 -44.2 25.6 -41.0 87.4 246 252 A F H <>S+ 0 0 14 -4,-2.6 5,-3.1 3,-0.2 -2,-0.2 0.944 118.7 41.4 -62.3 -47.6 24.3 -38.3 89.7 247 253 A T H <5S+ 0 0 43 -4,-3.2 -2,-0.2 3,-0.2 -3,-0.2 0.942 122.6 38.6 -64.9 -50.2 27.3 -38.7 92.0 248 254 A T H <5S+ 0 0 86 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.885 134.8 10.9 -71.4 -42.3 29.9 -39.1 89.4 249 255 A S T X5S+ 0 0 61 -4,-2.8 4,-0.9 -5,-0.3 -3,-0.2 0.832 125.7 43.1-108.7 -42.8 28.8 -36.6 86.8 250 256 A V H >< S+ 0 0 43 -4,-0.9 3,-1.7 1,-0.2 -2,-0.2 0.870 102.8 54.3 -68.0 -38.0 28.8 -30.2 87.6 254 260 A L H 3< S+ 0 0 26 -4,-2.1 -1,-0.2 -3,-0.3 -3,-0.1 0.755 106.6 53.4 -67.4 -22.5 26.6 -28.4 90.1 255 261 A Q T 3< 0 0 142 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.390 360.0 360.0 -89.5 1.6 29.8 -27.4 91.9 256 262 A Q < 0 0 174 -3,-1.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.086 360.0 360.0 65.1 360.0 31.0 -26.0 88.5