==== 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 14-APR-05 1ZDF . COMPND 2 MOLECULE: GLYCOGENIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR T.D.HURLEY,S.L.STOUT,E.MINER,J.ZHOU,P.J.ROACH . 258 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.6 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 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 0 1 3 1 1 0 1 0 1 1 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 0 A M 0 0 142 0, 0.0 33,-0.6 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -81.1 20.7 -34.0 63.6 2 1 A T + 0 0 99 1,-0.2 31,-0.0 31,-0.1 0, 0.0 0.748 360.0 48.9 -79.5 -26.4 20.5 -30.3 64.1 3 2 A D S S+ 0 0 72 92,-0.1 93,-2.8 93,-0.0 94,-1.0 0.347 103.0 72.4 -96.0 5.0 16.8 -30.2 63.5 4 3 A Q E +a 97 0A 27 -3,-0.4 30,-2.1 91,-0.2 2,-0.3 -0.942 61.5 170.8-121.0 144.3 15.9 -33.1 65.8 5 4 A A E -ab 98 34A 0 92,-1.5 94,-2.1 -2,-0.4 2,-0.4 -0.973 37.4-123.1-153.1 162.2 16.0 -33.1 69.6 6 5 A F E -ab 99 35A 5 28,-2.3 30,-2.9 -2,-0.3 2,-0.4 -0.877 37.4-162.4 -99.4 135.4 15.2 -34.7 72.9 7 6 A V E +ab 100 36A 2 92,-2.9 94,-3.2 -2,-0.4 30,-0.2 -0.991 14.4 169.9-128.8 131.9 13.0 -32.5 75.0 8 7 A T E - b 0 37A 2 28,-1.9 30,-2.5 -2,-0.4 2,-0.3 -0.686 18.9-135.1-125.7-176.1 12.4 -32.6 78.8 9 8 A L E + b 0 38A 17 92,-0.4 94,-0.5 28,-0.2 2,-0.3 -1.000 16.3 177.8-148.5 144.1 10.7 -30.3 81.3 10 9 A T E + b 0 39A 1 28,-2.4 30,-0.8 -2,-0.3 33,-0.1 -0.958 10.2 174.1-149.6 123.4 11.3 -28.9 84.8 11 10 A T S S+ 0 0 36 -2,-0.3 2,-0.3 28,-0.2 31,-0.2 0.522 74.7 25.0-102.5 -12.8 9.1 -26.5 86.8 12 11 A N S > S- 0 0 59 31,-0.1 4,-0.9 29,-0.0 31,-0.2 -0.853 86.6 -97.6-142.3 178.2 11.1 -26.6 90.0 13 12 A D H > S+ 0 0 59 29,-0.3 4,-1.1 -2,-0.3 30,-0.1 0.779 115.0 59.2 -72.1 -29.0 14.6 -27.4 91.4 14 13 A A H >> S+ 0 0 35 1,-0.2 4,-1.0 2,-0.2 3,-0.8 0.963 110.0 40.8 -65.2 -52.2 13.8 -31.0 92.4 15 14 A Y H 3> S+ 0 0 82 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.711 104.5 69.1 -69.7 -19.0 12.9 -32.0 88.8 16 15 A A H 3X S+ 0 0 0 -4,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.875 96.0 54.0 -66.6 -33.8 15.8 -30.0 87.5 17 16 A K H S+ 0 0 8 -4,-1.7 5,-1.4 2,-0.2 -1,-0.2 0.890 112.7 43.8 -68.7 -38.4 21.9 -38.9 76.8 27 26 A K H ><5S+ 0 0 102 -4,-1.7 3,-1.9 1,-0.2 -2,-0.2 0.891 109.0 58.5 -71.8 -38.6 25.4 -37.4 76.3 28 27 A Q H 3<5S+ 0 0 108 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.837 107.0 47.4 -58.5 -35.6 26.9 -40.4 78.0 29 28 A H T 3<5S- 0 0 51 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.077 118.7-114.6 -97.6 26.4 25.3 -42.7 75.4 30 29 A R T < 5 - 0 0 215 -3,-1.9 -3,-0.2 1,-0.1 2,-0.2 0.872 37.7-166.7 43.1 64.1 26.5 -40.4 72.6 31 30 A T < - 0 0 26 -5,-1.4 -1,-0.1 1,-0.1 79,-0.0 -0.496 16.3-151.9 -73.8 144.2 23.3 -39.0 71.1 32 31 A S S S+ 0 0 60 -2,-0.2 2,-0.1 2,-0.1 -1,-0.1 0.397 70.5 84.3 -95.6 1.8 23.7 -37.2 67.8 33 32 A R S S- 0 0 59 1,-0.1 -28,-0.2 -30,-0.1 -31,-0.1 -0.447 84.4 -94.9 -99.9 173.8 20.7 -35.0 68.5 34 33 A R E -b 5 0A 99 -30,-2.1 -28,-2.3 -33,-0.6 2,-0.5 -0.427 30.0-134.5 -84.8 159.7 20.2 -31.7 70.3 35 34 A L E +b 6 0A 4 -30,-0.2 22,-1.7 -2,-0.1 21,-1.7 -0.977 25.4 177.5-119.4 122.7 19.1 -31.5 73.9 36 35 A A E -bc 7 57A 0 -30,-2.9 -28,-1.9 -2,-0.5 2,-0.4 -0.955 8.7-168.4-126.4 147.0 16.3 -29.1 74.9 37 36 A V E -bc 8 58A 0 20,-1.8 22,-2.2 -2,-0.4 2,-0.5 -0.998 15.9-140.8-138.2 130.7 14.6 -28.4 78.2 38 37 A L E -bc 9 59A 0 -30,-2.5 -28,-2.4 -2,-0.4 2,-0.3 -0.790 29.6-177.9 -88.3 129.7 11.5 -26.3 79.0 39 38 A T E -bc 10 60A 0 20,-2.9 22,-3.4 -2,-0.5 -28,-0.2 -0.891 18.4-142.8-128.5 160.4 11.9 -24.4 82.3 40 39 A T > - 0 0 6 -30,-0.8 3,-1.5 -2,-0.3 22,-0.2 -0.703 34.5-106.0-114.2 166.3 9.7 -22.0 84.4 41 40 A P T 3 S+ 0 0 58 0, 0.0 21,-0.1 0, 0.0 4,-0.1 0.721 113.8 73.1 -65.9 -19.6 10.8 -18.9 86.3 42 41 A Q T 3 S+ 0 0 108 -31,-0.2 2,-0.5 2,-0.1 -29,-0.3 0.580 73.9 99.0 -70.9 -9.8 10.4 -20.9 89.6 43 42 A V S < S- 0 0 3 -3,-1.5 -31,-0.1 -31,-0.2 5,-0.0 -0.706 84.4-114.7 -80.7 123.1 13.6 -22.8 88.7 44 43 A S > - 0 0 43 -2,-0.5 4,-2.7 1,-0.1 5,-0.2 -0.133 17.8-114.2 -58.6 154.6 16.5 -21.2 90.6 45 44 A D H > S+ 0 0 120 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.785 115.7 53.9 -59.8 -32.2 19.3 -19.4 88.8 46 45 A T H > S+ 0 0 70 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.903 111.3 44.1 -70.5 -42.8 21.9 -22.0 89.9 47 46 A M H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.922 112.7 53.6 -66.3 -42.3 19.8 -24.9 88.5 48 47 A R H X S+ 0 0 32 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.890 108.0 49.6 -59.3 -41.6 19.2 -22.8 85.4 49 48 A K H X S+ 0 0 113 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.864 110.0 50.4 -68.2 -34.9 22.9 -22.3 84.9 50 49 A A H >X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 3,-1.0 0.904 108.9 52.0 -68.5 -40.3 23.7 -26.0 85.3 51 50 A L H 3X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.3 -1,-0.2 0.841 101.8 61.5 -63.1 -33.7 21.0 -26.8 82.7 52 51 A E H 3< S+ 0 0 114 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.720 107.1 44.9 -66.5 -21.9 22.6 -24.3 80.3 53 52 A I H << S+ 0 0 91 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.888 118.5 40.4 -86.4 -46.3 25.8 -26.5 80.4 54 53 A V H < S+ 0 0 4 -4,-2.0 2,-0.2 2,-0.0 -2,-0.2 0.939 114.0 54.6 -68.7 -47.7 24.1 -29.9 80.0 55 54 A F S < S- 0 0 9 -4,-3.0 -19,-0.2 -5,-0.2 3,-0.1 -0.556 70.7-140.4 -92.3 152.7 21.4 -28.8 77.4 56 55 A D S S+ 0 0 82 -21,-1.7 2,-0.4 1,-0.2 -20,-0.2 0.761 92.6 23.8 -77.8 -26.0 22.0 -27.2 74.0 57 56 A E E -c 36 0A 67 -22,-1.7 -20,-1.8 -6,-0.1 2,-0.5 -0.996 60.1-166.0-146.7 134.3 18.9 -25.0 74.6 58 57 A V E -c 37 0A 33 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.972 15.2-167.0-121.6 109.7 17.0 -23.8 77.6 59 58 A I E -c 38 0A 34 -22,-2.2 -20,-2.9 -2,-0.5 2,-0.5 -0.819 10.9-142.0 -99.7 138.9 13.6 -22.4 76.9 60 59 A T E -c 39 0A 80 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.893 19.0-178.4-106.0 128.9 11.7 -20.4 79.5 61 60 A V - 0 0 10 -22,-3.4 2,-0.3 -2,-0.5 3,-0.1 -0.974 9.4-179.9-125.4 138.1 7.9 -20.7 79.7 62 61 A D > + 0 0 49 -2,-0.4 3,-1.5 -22,-0.2 6,-0.3 -0.750 8.2 173.5-140.5 89.0 5.6 -18.9 82.1 63 62 A I T 3 S+ 0 0 10 -2,-0.3 11,-0.1 1,-0.3 -1,-0.1 0.605 78.7 71.8 -70.6 -11.1 1.9 -19.8 81.8 64 63 A L T 3 S+ 0 0 106 -3,-0.1 2,-0.3 10,-0.1 -1,-0.3 0.614 83.0 89.0 -75.9 -14.9 1.3 -17.6 84.9 65 64 A D S X S- 0 0 87 -3,-1.5 3,-1.8 1,-0.1 6,-0.3 -0.696 81.7-134.6 -86.3 136.0 2.0 -14.6 82.6 66 65 A S T 3 S+ 0 0 104 -2,-0.3 6,-0.2 1,-0.3 -1,-0.1 0.664 102.8 67.9 -61.5 -21.4 -1.0 -13.2 80.7 67 66 A G T 3 S+ 0 0 67 -5,-0.1 2,-0.3 4,-0.1 -1,-0.3 0.588 79.0 99.2 -76.3 -11.9 1.1 -13.1 77.6 68 67 A D S X S- 0 0 28 -3,-1.8 3,-1.3 -6,-0.3 4,-0.5 -0.618 74.4-135.9 -81.6 135.6 1.3 -16.9 77.4 69 68 A S T 3 S+ 0 0 69 -2,-0.3 4,-0.3 1,-0.3 -1,-0.1 0.676 104.9 50.8 -60.5 -21.2 -1.1 -18.6 74.9 70 69 A A T 3> S+ 0 0 0 1,-0.1 4,-1.8 2,-0.1 -1,-0.3 0.586 85.8 87.6 -93.9 -13.7 -2.0 -21.2 77.5 71 70 A H H <> S+ 0 0 28 -3,-1.3 4,-2.4 -6,-0.3 5,-0.2 0.890 84.6 53.1 -52.4 -50.7 -2.8 -18.8 80.3 72 71 A L H > S+ 0 0 151 -4,-0.5 4,-1.5 1,-0.3 -1,-0.2 0.907 112.6 46.1 -53.9 -43.6 -6.5 -18.3 79.4 73 72 A T H > S+ 0 0 14 -4,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.816 108.5 57.5 -69.1 -31.1 -6.9 -22.1 79.5 74 73 A L H < S+ 0 0 11 -4,-1.8 -2,-0.2 2,-0.2 6,-0.2 0.912 103.2 52.1 -66.2 -41.9 -5.0 -22.2 82.8 75 74 A M H < S+ 0 0 111 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.914 112.6 46.6 -60.6 -39.3 -7.5 -19.8 84.4 76 75 A K H < S+ 0 0 111 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.848 131.6 18.9 -70.8 -37.2 -10.3 -22.2 83.2 77 76 A R >< + 0 0 59 -4,-2.1 3,-2.0 -5,-0.1 -1,-0.3 -0.589 69.2 170.5-137.2 74.3 -8.5 -25.3 84.4 78 77 A P G > S+ 0 0 87 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.689 73.1 69.2 -57.3 -24.3 -5.8 -24.3 87.0 79 78 A E G 3 S+ 0 0 117 1,-0.3 3,-0.2 2,-0.1 4,-0.2 0.574 90.1 66.7 -73.7 -7.7 -5.1 -27.9 88.0 80 79 A L G <> + 0 0 0 -3,-2.0 4,-3.0 -6,-0.2 5,-0.3 0.105 62.4 120.0 -99.8 21.3 -3.6 -28.4 84.6 81 80 A G H <> S+ 0 0 19 -3,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.915 78.2 40.5 -50.7 -55.8 -0.6 -26.0 85.1 82 81 A V H > S+ 0 0 86 -3,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.897 116.4 51.5 -62.6 -40.6 2.2 -28.6 84.6 83 82 A T H > S+ 0 0 8 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.910 109.4 49.2 -63.8 -43.5 0.3 -30.2 81.7 84 83 A L H < S+ 0 0 0 -4,-3.0 4,-0.5 2,-0.2 -1,-0.2 0.866 112.2 48.7 -66.3 -33.3 -0.2 -26.9 79.9 85 84 A T H >< S+ 0 0 5 -4,-1.9 3,-1.4 -5,-0.3 -2,-0.2 0.923 108.6 54.3 -70.3 -42.4 3.5 -26.1 80.4 86 85 A K H >< S+ 0 0 10 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.875 98.1 64.3 -59.0 -37.4 4.4 -29.5 79.0 87 86 A L G >< S+ 0 0 1 -4,-2.0 3,-2.2 1,-0.3 -1,-0.3 0.705 81.0 79.4 -60.2 -23.3 2.3 -28.8 75.8 88 87 A H G X S+ 0 0 14 -3,-1.4 3,-1.0 -4,-0.5 -1,-0.3 0.532 70.4 84.6 -63.6 -4.3 4.7 -26.0 74.9 89 88 A C G X S+ 0 0 0 -3,-1.9 3,-0.8 1,-0.3 -1,-0.3 0.776 85.0 56.7 -67.5 -24.2 6.9 -28.8 73.7 90 89 A W G < S+ 0 0 1 -3,-2.2 52,-2.1 1,-0.2 -1,-0.3 0.615 94.3 68.1 -79.4 -14.7 4.9 -28.6 70.5 91 90 A S G < S+ 0 0 42 -3,-1.0 2,-1.8 -4,-0.2 -1,-0.2 0.486 70.3 98.7 -82.1 -5.3 5.8 -24.9 70.2 92 91 A L X + 0 0 7 -3,-0.8 3,-2.2 1,-0.2 -1,-0.2 -0.340 41.8 160.6 -83.1 60.2 9.5 -25.8 69.5 93 92 A T T 3 + 0 0 85 -2,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.428 57.8 82.8 -63.8 1.0 9.2 -25.3 65.7 94 93 A Q T 3 S+ 0 0 87 -3,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.569 90.0 64.3 -78.4 -9.4 12.9 -25.0 65.4 95 94 A Y < - 0 0 11 -3,-2.2 -91,-0.2 1,-0.1 3,-0.1 -0.939 68.0-157.3-116.3 140.0 12.9 -28.8 65.4 96 95 A S S S+ 0 0 54 -93,-2.8 2,-0.3 -2,-0.4 -92,-0.2 0.754 84.2 7.6 -83.9 -28.8 11.3 -31.0 62.8 97 96 A K E S-a 4 0A 31 -94,-1.0 -92,-1.5 43,-0.2 -1,-0.3 -0.964 70.3-178.7-155.2 138.0 10.9 -34.0 65.1 98 97 A C E -aD 5 139A 0 41,-2.6 41,-2.5 -2,-0.3 2,-0.5 -0.908 24.1-137.6-136.8 163.6 11.5 -34.5 68.9 99 98 A V E -aD 6 138A 0 -94,-2.1 -92,-2.9 -2,-0.3 2,-0.4 -0.993 24.6-147.0-120.9 114.9 11.3 -37.1 71.6 100 99 A F E -aD 7 137A 0 37,-2.8 37,-1.7 -2,-0.5 2,-0.4 -0.743 17.7-174.8 -85.0 135.8 9.7 -35.8 74.8 101 100 A M E - D 0 136A 1 -94,-3.2 -92,-0.4 -2,-0.4 35,-0.2 -0.989 24.9-122.3-135.7 125.6 11.1 -37.3 78.0 102 101 A D > - 0 0 35 33,-2.5 3,-1.4 -2,-0.4 -92,-0.1 -0.300 28.1-118.0 -59.1 147.2 9.9 -36.7 81.5 103 102 A A T 3 S+ 0 0 5 -94,-0.5 -81,-0.3 1,-0.3 -82,-0.2 0.669 112.2 64.5 -63.3 -15.4 12.6 -35.4 83.9 104 103 A D T 3 S+ 0 0 6 -83,-0.1 109,-2.5 31,-0.1 -1,-0.3 -0.009 84.8 97.8 -97.5 25.6 12.1 -38.5 85.9 105 104 A T E < -G 212 0B 0 -3,-1.4 2,-0.4 107,-0.2 107,-0.2 -0.752 57.4-152.5-108.5 163.1 13.4 -40.8 83.2 106 105 A L E -G 211 0B 0 105,-2.0 105,-2.4 -2,-0.3 2,-0.5 -0.984 8.8-140.4-141.1 125.3 16.9 -42.3 82.7 107 106 A V E +G 210 0B 2 -2,-0.4 103,-0.2 -85,-0.2 3,-0.1 -0.753 20.6 173.8 -88.9 125.1 18.6 -43.3 79.5 108 107 A L + 0 0 41 101,-3.1 2,-0.3 -2,-0.5 102,-0.2 0.385 68.3 16.8-107.7 -2.2 20.7 -46.5 79.7 109 108 A A S S- 0 0 31 100,-0.9 -1,-0.2 -80,-0.0 -80,-0.1 -0.971 97.3 -73.2-163.5 158.2 21.5 -46.9 76.0 110 109 A N + 0 0 67 -2,-0.3 3,-0.1 1,-0.1 -80,-0.1 -0.379 42.2 179.6 -59.7 132.1 21.6 -44.9 72.8 111 110 A I > + 0 0 1 1,-0.1 3,-1.9 -85,-0.1 4,-0.2 -0.000 38.8 123.3-126.5 29.4 18.0 -44.4 71.7 112 111 A D G > + 0 0 18 1,-0.3 3,-1.8 2,-0.2 4,-0.1 0.716 61.4 77.7 -63.5 -19.4 18.5 -42.3 68.5 113 112 A D G > S+ 0 0 58 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.617 75.7 77.7 -67.7 -7.7 16.6 -44.9 66.6 114 113 A L G X S+ 0 0 3 -3,-1.9 3,-1.7 1,-0.2 -1,-0.3 0.746 77.4 72.2 -70.0 -24.8 13.4 -43.4 68.0 115 114 A F G < S+ 0 0 7 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.514 83.4 69.5 -70.5 -2.1 13.7 -40.6 65.5 116 115 A E G < S+ 0 0 132 -3,-1.2 -1,-0.3 -4,-0.1 -2,-0.2 0.682 86.6 89.6 -84.3 -20.1 12.7 -43.1 62.8 117 116 A R S < S- 0 0 41 -3,-1.7 2,-0.2 -4,-0.2 64,-0.1 -0.296 71.5-133.0 -76.3 160.1 9.2 -43.1 64.4 118 117 A E - 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0 0 19 -2,-0.7 3,-2.0 -4,-0.1 4,-0.2 -0.484 38.4 -97.9 -89.7 167.5 11.4 -40.1 92.9 219 218 A P G > S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.870 123.5 58.6 -54.7 -39.0 15.2 -40.9 92.8 220 219 A W G 3 S+ 0 0 30 1,-0.3 -3,-0.0 -206,-0.1 -205,-0.0 0.512 93.0 68.5 -71.3 -3.9 16.1 -37.7 94.5 221 220 A N G < S+ 0 0 100 -3,-2.0 -1,-0.3 2,-0.1 2,-0.2 0.410 88.8 83.6 -93.4 -0.5 13.9 -38.7 97.5 222 221 A Y S < S- 0 0 71 -3,-1.6 2,-0.5 -4,-0.2 11,-0.1 -0.575 79.6-119.0 -99.8 164.6 16.3 -41.5 98.5 223 222 A T - 0 0 81 9,-0.3 9,-2.7 -2,-0.2 2,-0.5 -0.911 28.6-158.8-105.3 129.0 19.5 -41.4 100.6 224 223 A Y E -I 231 0C 27 -2,-0.5 2,-0.7 7,-0.3 7,-0.2 -0.935 11.1-144.2-115.7 128.5 22.6 -42.6 98.7 225 224 A D E >> -I 230 0C 48 5,-2.0 5,-1.3 -2,-0.5 4,-1.1 -0.803 7.7-161.8 -90.4 114.7 25.8 -43.9 100.3 226 225 A T T 45S+ 0 0 99 -2,-0.7 -1,-0.1 3,-0.2 5,-0.1 0.731 86.3 54.2 -67.9 -25.6 28.7 -42.7 98.2 227 226 A K T 45S+ 0 0 189 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.941 118.9 30.1 -74.8 -52.0 31.1 -45.2 99.7 228 227 A T T 45S- 0 0 87 2,-0.2 -2,-0.2 0, 0.0 -1,-0.2 0.556 103.3-133.6 -82.5 -9.5 29.1 -48.4 99.0 229 228 A K T <5 + 0 0 135 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.904 67.1 105.3 55.9 47.9 27.6 -46.7 95.9 230 229 A S E + 0 0 40 1,-0.1 3,-0.6 2,-0.0 4,-0.3 -0.553 56.6 148.0-142.9 73.3 16.3 -54.0 92.3 238 242 A P T >> + 0 0 33 0, 0.0 4,-2.8 0, 0.0 3,-0.5 0.514 47.4 105.2 -83.0 -3.5 18.0 -50.7 93.3 239 243 A Q H 3> S+ 0 0 119 1,-0.3 4,-1.0 2,-0.2 5,-0.1 0.789 80.7 46.1 -46.4 -38.2 20.4 -51.1 90.4 240 244 A F H <> S+ 0 0 23 -3,-0.6 4,-2.3 2,-0.2 -1,-0.3 0.859 111.2 50.7 -76.4 -38.3 18.6 -48.3 88.4 241 245 A L H <> S+ 0 0 14 -3,-0.5 4,-2.7 -4,-0.3 -2,-0.2 0.906 109.7 52.9 -64.6 -38.5 18.4 -46.0 91.3 242 246 A N H X S+ 0 0 31 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.784 108.1 49.5 -67.5 -30.3 22.1 -46.5 91.8 243 247 A V H X S+ 0 0 50 -4,-1.0 4,-2.3 -5,-0.3 5,-0.2 0.941 110.8 49.9 -71.3 -48.2 22.9 -45.6 88.2 244 248 A W H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.937 114.8 44.6 -53.2 -51.3 20.8 -42.5 88.5 245 249 A W H X S+ 0 0 35 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.809 107.7 57.3 -66.2 -32.3 22.7 -41.6 91.7 246 250 A D H X S+ 0 0 65 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.917 110.9 44.0 -66.0 -40.4 26.1 -42.4 90.2 247 251 A I H X>S+ 0 0 6 -4,-2.3 4,-3.0 2,-0.2 5,-1.6 0.928 114.8 49.2 -68.3 -43.5 25.5 -39.9 87.4 248 252 A F H <>S+ 0 0 16 -4,-2.3 5,-3.3 -5,-0.2 -2,-0.2 0.928 117.1 41.5 -60.2 -45.7 24.2 -37.4 89.8 249 253 A T H <5S+ 0 0 48 -4,-3.0 -2,-0.2 3,-0.2 -1,-0.2 0.902 123.2 38.4 -68.3 -44.3 27.2 -37.9 92.1 250 254 A T H <5S+ 0 0 86 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.913 134.8 9.8 -77.5 -45.8 29.7 -38.0 89.3 251 255 A S T X5S+ 0 0 56 -4,-3.0 4,-0.7 -5,-0.2 -3,-0.2 0.808 126.6 43.8-108.1 -36.1 28.5 -35.4 86.8 252 256 A V H >4 S+ 0 0 56 0, 0.0 3,-0.7 0, 0.0 4,-0.5 0.873 109.6 56.2 -60.5 -32.4 30.3 -31.3 90.9 255 259 A L H >< S+ 0 0 29 -4,-0.7 3,-1.0 1,-0.2 4,-0.3 0.875 103.3 53.5 -65.6 -36.3 28.8 -29.2 88.1 256 260 A L H >< S+ 0 0 32 -4,-1.7 3,-0.5 -3,-0.4 -1,-0.2 0.679 101.8 61.3 -71.5 -17.2 26.5 -27.4 90.6 257 261 A Q T << S+ 0 0 141 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.607 83.4 77.3 -83.0 -15.5 29.7 -26.5 92.6 258 262 A Q T < 0 0 148 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.712 360.0 360.0 -66.1 -20.3 31.1 -24.5 89.7 259 263 A F < 0 0 110 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.2 0.691 360.0 360.0-101.4 360.0 28.7 -21.8 90.6