==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-DEC-11 3V8Z . COMPND 2 MOLECULE: GLYCOGENIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR M.E.CARRIZO,J.M.ROMERO,F.M.ISSOGLIO,J.A.CURTINO . 256 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11622.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 69.5 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 6.6 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 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 3 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 0 112 0, 0.0 33,-0.6 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 107.2 20.8 -34.0 62.4 2 1 A T T 3 + 0 0 116 1,-0.2 31,-0.1 31,-0.1 0, 0.0 0.592 360.0 55.1 -81.6 -12.6 20.4 -30.3 63.4 3 2 A D T 3 S+ 0 0 71 92,-0.1 93,-3.2 93,-0.0 94,-1.1 0.380 98.5 69.7-104.2 2.8 16.6 -30.5 62.6 4 3 A Q E < +a 97 0A 23 -3,-0.6 30,-2.5 91,-0.2 2,-0.3 -0.950 62.4 173.6-121.8 146.0 15.8 -33.4 64.9 5 4 A A E -ab 98 34A 0 92,-1.6 94,-2.2 -2,-0.4 2,-0.4 -0.990 37.8-125.4-148.6 149.0 15.8 -33.3 68.7 6 5 A F E -ab 99 35A 3 28,-2.5 30,-3.1 -2,-0.3 2,-0.5 -0.822 38.3-160.9 -82.1 138.5 15.1 -35.0 71.9 7 6 A V E +ab 100 36A 1 92,-3.0 94,-3.1 -2,-0.4 30,-0.2 -0.994 14.3 172.7-127.4 127.6 12.9 -32.7 73.8 8 7 A T E - b 0 37A 1 28,-2.3 30,-2.9 -2,-0.5 2,-0.4 -0.677 17.7-136.3-122.7-174.6 12.3 -32.8 77.5 9 8 A L E + b 0 38A 15 92,-0.4 94,-0.4 28,-0.2 2,-0.3 -1.000 17.2 176.1-146.4 136.0 10.5 -30.6 80.0 10 9 A T E + b 0 39A 1 28,-2.6 30,-0.7 -2,-0.4 33,-0.2 -0.948 11.3 176.3-143.3 129.4 11.2 -29.2 83.5 11 10 A T S S+ 0 0 36 -2,-0.3 2,-0.3 28,-0.2 31,-0.2 0.418 75.4 20.3-101.4 -5.1 9.0 -26.8 85.4 12 11 A N S > S- 0 0 58 31,-0.1 4,-1.3 1,-0.1 31,-0.2 -0.914 85.3 -94.3-153.2-179.5 11.2 -26.9 88.5 13 12 A D H > S+ 0 0 58 29,-0.3 4,-1.1 -2,-0.3 5,-0.1 0.809 116.3 56.2 -73.8 -31.3 14.6 -27.7 90.0 14 13 A A H >> S+ 0 0 33 2,-0.2 4,-1.0 1,-0.2 3,-0.5 0.939 112.1 40.5 -69.8 -46.8 13.7 -31.2 91.0 15 14 A Y H 3> S+ 0 0 82 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.747 106.1 66.7 -73.6 -21.4 12.7 -32.3 87.5 16 15 A A H 3X S+ 0 0 0 -4,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.842 95.6 57.2 -62.8 -32.9 15.6 -30.3 86.1 17 16 A K H S+ 0 0 4 -4,-2.5 5,-1.6 2,-0.2 -2,-0.2 0.910 113.8 43.4 -63.9 -43.0 21.5 -39.1 75.7 27 26 A K H ><5S+ 0 0 106 -4,-2.2 3,-1.9 3,-0.2 -2,-0.2 0.876 109.3 59.0 -64.2 -40.2 25.0 -37.6 75.2 28 27 A Q H 3<5S+ 0 0 100 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.864 107.0 46.5 -58.2 -37.0 26.5 -40.7 77.0 29 28 A H T 3<5S- 0 0 49 -4,-1.8 -1,-0.3 80,-0.1 -2,-0.2 0.073 119.4-113.4-100.2 25.2 24.9 -42.9 74.3 30 29 A R T < 5 - 0 0 214 -3,-1.9 -3,-0.2 1,-0.1 2,-0.1 0.879 37.8-165.9 53.7 56.5 26.2 -40.6 71.5 31 30 A T < - 0 0 26 -5,-1.6 -1,-0.1 1,-0.1 4,-0.1 -0.483 16.0-153.4 -64.6 143.3 23.0 -39.2 70.1 32 31 A S S S+ 0 0 60 -2,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.324 70.4 90.1 -94.5 4.3 23.5 -37.5 66.8 33 32 A R S S- 0 0 48 1,-0.1 -28,-0.2 -30,-0.1 -31,-0.1 -0.500 83.7 -97.6-100.4 167.5 20.5 -35.4 67.5 34 33 A R E -b 5 0A 93 -30,-2.5 -28,-2.5 -33,-0.6 2,-0.5 -0.423 30.1-135.9 -74.9 156.4 19.9 -32.1 69.2 35 34 A L E +b 6 0A 1 -30,-0.2 22,-2.2 -2,-0.1 21,-1.5 -0.981 25.2 179.0-119.5 121.0 18.9 -31.9 72.8 36 35 A A E -bc 7 57A 0 -30,-3.1 -28,-2.3 -2,-0.5 2,-0.4 -0.935 8.8-166.4-122.6 144.8 16.1 -29.4 73.7 37 36 A V E -bc 8 58A 0 20,-2.2 22,-3.2 -2,-0.4 2,-0.5 -0.986 14.6-144.1-134.7 125.8 14.5 -28.7 77.0 38 37 A L E +bc 9 59A 0 -30,-2.9 -28,-2.6 -2,-0.4 2,-0.3 -0.740 31.6 176.8 -78.9 130.6 11.4 -26.8 77.8 39 38 A T E -bc 10 60A 0 20,-3.2 22,-4.0 -2,-0.5 -28,-0.2 -0.882 22.1-139.5-131.1 163.2 11.8 -24.9 81.0 40 39 A T > - 0 0 6 -30,-0.7 3,-2.0 -2,-0.3 22,-0.2 -0.797 35.9-103.9-114.8 163.5 9.8 -22.4 83.0 41 40 A P T 3 S+ 0 0 62 0, 0.0 21,-0.1 0, 0.0 -30,-0.1 0.659 116.3 72.7 -59.0 -15.2 11.0 -19.3 84.8 42 41 A Q T 3 S+ 0 0 108 -31,-0.2 2,-0.5 2,-0.1 -29,-0.3 0.624 71.6 97.0 -77.5 -15.1 10.7 -21.3 88.1 43 42 A V S < S- 0 0 2 -3,-2.0 -31,-0.1 -31,-0.2 -4,-0.0 -0.686 84.7-120.4 -73.6 122.4 13.7 -23.4 87.1 44 43 A S > - 0 0 42 -2,-0.5 4,-3.2 1,-0.1 3,-0.2 -0.157 16.2-106.5 -69.6 160.6 16.6 -21.6 89.0 45 44 A D H > S+ 0 0 111 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.842 119.3 53.4 -51.8 -41.1 19.7 -20.0 87.5 46 45 A T H > S+ 0 0 50 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.914 113.1 41.1 -65.0 -47.0 21.9 -22.8 88.7 47 46 A M H > S+ 0 0 12 -3,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.907 115.5 53.4 -65.6 -41.7 19.7 -25.6 87.1 48 47 A R H X S+ 0 0 39 -4,-3.2 4,-3.2 2,-0.2 -2,-0.2 0.934 106.6 50.4 -58.0 -50.6 19.3 -23.3 84.0 49 48 A K H X S+ 0 0 103 -4,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.911 113.8 45.6 -56.2 -45.4 23.1 -22.9 83.6 50 49 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 3,-0.4 0.890 112.5 51.3 -63.0 -41.2 23.6 -26.6 83.9 51 50 A L H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.897 105.5 56.1 -62.6 -39.0 20.7 -27.2 81.4 52 51 A E H < S+ 0 0 98 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.765 112.1 44.0 -62.1 -28.4 22.3 -24.7 79.0 53 52 A I H < S+ 0 0 90 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.903 118.7 39.6 -81.6 -47.3 25.4 -26.9 79.1 54 53 A V H < S+ 0 0 8 -4,-2.6 2,-0.3 -5,-0.1 -2,-0.2 0.910 114.7 57.4 -71.9 -40.8 23.7 -30.3 78.8 55 54 A F < - 0 0 5 -4,-3.1 -19,-0.2 -5,-0.2 3,-0.1 -0.657 69.2-145.3 -96.1 145.8 21.1 -29.2 76.3 56 55 A D S S+ 0 0 62 -21,-1.5 2,-0.4 -2,-0.3 -20,-0.2 0.783 93.2 27.2 -71.6 -31.7 21.7 -27.6 72.9 57 56 A E E -c 36 0A 65 -22,-2.2 -20,-2.2 -6,-0.1 2,-0.6 -0.991 62.4-166.8-137.7 130.0 18.6 -25.5 73.4 58 57 A V E -c 37 0A 20 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.965 14.8-166.3-112.4 116.2 16.9 -24.3 76.5 59 58 A I E -c 38 0A 28 -22,-3.2 -20,-3.2 -2,-0.6 2,-0.6 -0.860 8.9-147.2-104.9 135.5 13.5 -23.0 75.7 60 59 A T E -c 39 0A 78 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.912 16.1-176.1-107.5 123.4 11.7 -21.0 78.3 61 60 A V - 0 0 7 -22,-4.0 2,-0.4 -2,-0.6 3,-0.1 -0.957 6.6-176.2-118.0 135.2 7.9 -21.3 78.5 62 61 A D > + 0 0 47 -2,-0.4 3,-1.1 -22,-0.2 6,-0.3 -0.770 12.0 170.6-136.3 90.7 5.8 -19.3 80.8 63 62 A I T 3 S+ 0 0 10 -2,-0.4 11,-0.2 1,-0.3 -1,-0.1 0.588 78.1 70.5 -76.2 -11.1 2.1 -20.2 80.7 64 63 A L T 3 S+ 0 0 104 -3,-0.1 2,-0.5 10,-0.1 -1,-0.3 0.670 83.9 86.6 -72.7 -19.5 1.6 -17.9 83.8 65 64 A D S X S- 0 0 83 -3,-1.1 3,-2.2 1,-0.1 6,-0.3 -0.731 79.9-142.1 -83.0 128.3 2.2 -15.1 81.4 66 65 A S T 3 S+ 0 0 97 -2,-0.5 6,-0.2 1,-0.3 -1,-0.1 0.592 98.5 71.8 -69.9 -10.5 -1.0 -14.0 79.6 67 66 A G T 3 S+ 0 0 68 -5,-0.1 -1,-0.3 4,-0.1 2,-0.2 0.633 79.7 95.8 -72.6 -17.0 1.1 -13.5 76.5 68 67 A D S X S- 0 0 29 -3,-2.2 3,-1.2 -6,-0.3 4,-0.5 -0.564 79.5-134.3 -76.7 140.3 1.4 -17.2 76.3 69 68 A S T 3 S+ 0 0 67 1,-0.2 4,-0.2 -2,-0.2 3,-0.2 0.753 106.3 49.6 -62.7 -26.2 -1.2 -18.9 74.0 70 69 A A T 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.1 3,-0.4 0.504 84.7 91.8 -89.0 -8.9 -1.9 -21.5 76.7 71 70 A H H <> S+ 0 0 25 -3,-1.2 4,-2.1 -6,-0.3 5,-0.2 0.913 84.3 50.1 -59.2 -47.9 -2.4 -19.1 79.5 72 71 A L H > S+ 0 0 138 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.826 111.2 50.8 -58.7 -33.8 -6.2 -18.7 79.1 73 72 A T H > S+ 0 0 8 -3,-0.4 4,-2.9 -4,-0.2 -1,-0.2 0.851 106.8 54.2 -72.2 -35.1 -6.5 -22.5 79.0 74 73 A L H < S+ 0 0 18 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.899 107.1 51.1 -62.2 -41.3 -4.4 -22.7 82.3 75 74 A M H < S+ 0 0 107 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.936 115.6 42.0 -59.2 -48.3 -6.9 -20.3 83.9 76 75 A K H < S+ 0 0 111 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.895 131.9 22.6 -64.3 -44.1 -9.8 -22.5 82.8 77 76 A R >< + 0 0 55 -4,-2.9 3,-2.0 1,-0.1 -1,-0.2 -0.679 61.5 172.7-133.6 78.4 -8.0 -25.7 83.7 78 77 A P G > S+ 0 0 91 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.785 78.2 70.0 -55.4 -30.3 -5.2 -25.4 86.3 79 78 A E G 3 S+ 0 0 97 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.771 94.5 57.9 -59.0 -23.2 -4.9 -29.2 86.5 80 79 A L G <> S+ 0 0 0 -3,-2.0 4,-3.4 -7,-0.2 -1,-0.3 0.298 70.7 112.3 -91.5 9.4 -3.4 -28.9 82.9 81 80 A G H <> S+ 0 0 14 -3,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.909 84.6 37.4 -49.8 -55.1 -0.5 -26.5 83.9 82 81 A V H > S+ 0 0 80 -3,-0.3 4,-3.0 -4,-0.2 -1,-0.2 0.940 116.9 53.8 -62.5 -47.1 2.2 -29.1 83.2 83 82 A T H > S+ 0 0 3 -4,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.911 109.1 48.8 -51.1 -47.3 0.4 -30.5 80.2 84 83 A L H X S+ 0 0 0 -4,-3.4 4,-0.6 2,-0.2 -1,-0.2 0.848 111.2 48.0 -68.0 -37.5 0.1 -27.0 78.7 85 84 A T H >< S+ 0 0 4 -4,-1.8 3,-1.3 -5,-0.3 -1,-0.2 0.944 111.9 52.3 -64.2 -47.1 3.8 -26.3 79.2 86 85 A K H >< S+ 0 0 1 -4,-3.0 3,-2.5 1,-0.3 -2,-0.2 0.866 98.0 64.4 -54.6 -43.6 4.5 -29.7 77.7 87 86 A L H >< S+ 0 0 0 -4,-2.5 3,-2.5 1,-0.3 -1,-0.3 0.757 84.3 75.8 -54.1 -27.8 2.3 -29.0 74.6 88 87 A H G X< S+ 0 0 13 -3,-1.3 3,-1.2 -4,-0.6 -1,-0.3 0.557 72.5 82.7 -63.1 -9.4 4.8 -26.2 73.7 89 88 A C G X S+ 0 0 0 -3,-2.5 3,-1.0 1,-0.3 -1,-0.3 0.813 85.8 58.2 -61.6 -29.3 7.0 -29.1 72.6 90 89 A W G < S+ 0 0 0 -3,-2.5 52,-1.8 1,-0.2 56,-0.3 0.633 94.0 65.7 -71.5 -15.6 4.9 -28.8 69.4 91 90 A S G < S+ 0 0 42 -3,-1.2 2,-2.2 -4,-0.2 -1,-0.2 0.496 71.2 99.7 -82.1 -5.0 6.0 -25.2 69.0 92 91 A L X + 0 0 6 -3,-1.0 3,-2.7 -4,-0.2 -1,-0.2 -0.276 40.1 154.4 -83.6 56.5 9.6 -26.3 68.4 93 92 A T T 3 + 0 0 80 -2,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.460 56.5 82.3 -72.1 -2.0 9.3 -25.9 64.7 94 93 A Q T 3 S+ 0 0 81 -3,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.703 92.0 63.3 -65.2 -21.3 13.0 -25.4 64.4 95 94 A Y S < S- 0 0 10 -3,-2.7 -91,-0.2 1,-0.1 3,-0.1 -0.876 70.6-156.8-108.2 141.9 12.9 -29.2 64.5 96 95 A S S S+ 0 0 54 -93,-3.2 2,-0.3 -2,-0.4 -92,-0.2 0.753 83.3 7.2 -85.1 -25.8 11.3 -31.3 61.9 97 96 A K E S-a 4 0A 44 -94,-1.1 -92,-1.6 43,-0.2 2,-0.3 -0.981 70.4-174.7-156.5 143.0 10.8 -34.3 64.2 98 97 A C E -aD 5 139A 0 41,-3.0 41,-2.9 -2,-0.3 2,-0.6 -0.961 24.6-137.2-140.4 155.9 11.3 -34.8 67.9 99 98 A V E -aD 6 138A 0 -94,-2.2 -92,-3.0 -2,-0.3 2,-0.4 -0.972 25.3-149.6-106.9 113.6 11.3 -37.4 70.5 100 99 A F E -aD 7 137A 0 37,-3.4 37,-2.4 -2,-0.6 2,-0.4 -0.713 18.0-175.2 -78.6 134.2 9.6 -36.0 73.6 101 100 A M E - D 0 136A 1 -94,-3.1 -92,-0.4 -2,-0.4 35,-0.2 -0.996 26.1-119.6-131.3 128.4 10.9 -37.6 76.8 102 101 A D > - 0 0 37 33,-3.6 3,-1.5 -2,-0.4 -92,-0.1 -0.282 28.2-118.6 -54.1 147.1 9.7 -37.0 80.3 103 102 A A T 3 S+ 0 0 5 -94,-0.4 -81,-0.3 1,-0.3 -82,-0.2 0.640 112.6 64.2 -68.8 -11.6 12.4 -35.6 82.6 104 103 A D T 3 S+ 0 0 4 -86,-0.1 109,-2.9 -83,-0.1 -1,-0.3 0.007 84.8 99.9 -98.8 27.7 12.0 -38.7 84.8 105 104 A T E < -G 212 0B 0 -3,-1.5 2,-0.4 107,-0.2 107,-0.2 -0.712 56.0-156.8-105.7 165.9 13.3 -40.9 82.0 106 105 A L E -G 211 0B 0 105,-1.9 105,-2.8 -2,-0.3 2,-0.5 -0.990 11.8-136.2-144.8 128.6 16.8 -42.3 81.6 107 106 A V E +G 210 0B 1 -2,-0.4 103,-0.2 -85,-0.2 3,-0.1 -0.765 22.3 173.7 -93.4 130.3 18.4 -43.5 78.4 108 107 A L + 0 0 40 101,-3.4 2,-0.3 -2,-0.5 102,-0.2 0.443 69.1 15.3-110.5 -7.7 20.4 -46.7 78.6 109 108 A A S S- 0 0 28 100,-1.0 -1,-0.3 -80,-0.0 -80,-0.1 -0.970 98.5 -72.5-161.6 155.9 21.2 -47.1 74.9 110 109 A N - 0 0 62 -2,-0.3 3,-0.1 1,-0.1 -80,-0.1 -0.325 41.5-179.1 -56.4 131.9 21.2 -45.1 71.8 111 110 A I > + 0 0 1 1,-0.1 3,-2.3 -85,-0.1 4,-0.2 0.070 41.2 121.9-124.7 25.7 17.7 -44.4 70.7 112 111 A D G > + 0 0 16 1,-0.3 3,-1.9 2,-0.2 4,-0.1 0.731 62.7 76.7 -59.8 -22.3 18.3 -42.4 67.5 113 112 A D G > S+ 0 0 58 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.667 75.5 77.9 -64.4 -13.9 16.3 -45.1 65.7 114 113 A L G X S+ 0 0 0 -3,-2.3 3,-2.0 1,-0.3 -1,-0.3 0.792 79.2 70.8 -59.2 -28.1 13.2 -43.5 67.2 115 114 A F G < S+ 0 0 7 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.577 83.2 69.1 -71.7 -5.8 13.6 -40.8 64.5 116 115 A E G < S+ 0 0 131 -3,-1.6 -1,-0.3 -4,-0.1 -2,-0.2 0.654 89.2 88.1 -74.4 -17.4 12.6 -43.4 61.9 117 116 A R S < S- 0 0 26 -3,-2.0 2,-0.3 -4,-0.2 64,-0.1 -0.333 71.5-134.3 -83.6 162.6 9.1 -43.2 63.5 118 117 A E - 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0 0 26 -52,-1.8 4,-2.7 1,-0.1 5,-0.1 -0.863 44.9-144.8-166.7 128.3 3.7 -28.0 64.2 143 142 A V H > S+ 0 0 80 -2,-0.3 4,-3.1 2,-0.2 5,-0.2 0.863 106.9 53.9 -61.1 -39.5 1.9 -24.8 65.2 144 143 A E H > S+ 0 0 138 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.951 109.9 45.1 -60.1 -50.1 -1.3 -26.2 63.8 145 144 A T H > S+ 0 0 16 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.938 113.2 51.8 -61.7 -45.0 -1.0 -29.4 65.9 146 145 A Y H X S+ 0 0 5 -4,-2.7 4,-2.7 -56,-0.3 -2,-0.2 0.954 111.8 46.2 -52.6 -52.1 -0.1 -27.3 68.9 147 146 A N H X S+ 0 0 79 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.855 113.3 49.2 -59.6 -38.5 -3.2 -25.1 68.3 148 147 A Q H X S+ 0 0 90 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.888 112.3 47.5 -70.1 -39.8 -5.4 -28.2 67.9 149 148 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.908 113.1 48.9 -64.4 -41.4 -4.0 -29.8 71.0 150 149 A L H X S+ 0 0 19 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.907 109.4 53.1 -64.6 -43.8 -4.6 -26.6 72.9 151 150 A H H X S+ 0 0 117 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.913 110.3 46.4 -58.7 -46.3 -8.1 -26.4 71.6 152 151 A V H X>S+ 0 0 20 -4,-2.1 4,-3.1 2,-0.2 5,-1.4 0.911 111.6 51.7 -63.5 -43.5 -8.9 -29.9 72.8 153 152 A A H <5S+ 0 0 0 -4,-2.6 4,-0.5 3,-0.2 -2,-0.2 0.915 113.8 45.2 -56.4 -44.4 -7.3 -29.2 76.2 154 153 A S H <5S+ 0 0 25 -4,-2.8 -2,-0.2 2,-0.1 -1,-0.2 0.969 121.8 35.8 -62.5 -53.9 -9.5 -26.0 76.4 155 154 A E H <5S+ 0 0 116 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.880 138.7 9.5 -71.6 -46.3 -12.7 -27.7 75.2 156 155 A Q T <5S- 0 0 125 -4,-3.1 -3,-0.2 1,-0.2 -1,-0.1 0.634 84.1-155.4-106.7 -26.4 -12.5 -31.2 76.7 157 156 A G < - 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0 0 64 -2,-0.4 3,-2.3 2,-0.1 4,-0.3 0.981 49.4-145.2 66.0 92.9 -0.1 -48.8 62.6 179 178 A I G > S+ 0 0 137 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.780 98.0 69.2 -54.9 -27.8 1.9 -51.2 64.7 180 179 A R G 3 S+ 0 0 114 1,-0.3 -1,-0.3 -59,-0.0 -2,-0.1 0.721 90.3 61.3 -67.6 -19.5 5.0 -49.0 63.9 181 180 A K G < S+ 0 0 46 -3,-2.3 -59,-2.5 -4,-0.2 2,-0.9 0.532 85.1 87.0 -83.2 -5.3 3.5 -46.3 66.0 182 181 A H B < S-f 122 0A 45 -3,-1.8 -59,-0.2 -4,-0.3 3,-0.1 -0.850 76.5-150.7 -88.7 104.2 3.7 -48.7 69.0 183 182 A L - 0 0 1 -61,-2.0 -2,-0.1 -2,-0.9 5,-0.1 -0.566 32.3 -94.4 -69.3 136.3 7.2 -48.1 70.2 184 183 A P > - 0 0 51 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.239 33.0-118.0 -47.9 141.9 8.6 -51.2 71.8 185 184 A F G > S+ 0 0 68 1,-0.3 3,-2.1 2,-0.2 25,-0.1 0.786 111.6 72.2 -53.1 -30.7 8.0 -51.1 75.6 186 185 A I G 3 S+ 0 0 34 1,-0.3 23,-2.9 2,-0.1 24,-2.5 0.626 88.9 61.5 -62.9 -12.8 11.8 -51.1 76.1 187 186 A Y G < S+ 0 0 10 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.356 122.4 20.1 -91.7 1.4 11.8 -47.4 74.8 188 187 A N S < S+ 0 0 2 -3,-2.1 2,-1.0 22,-0.2 -1,-0.2 -0.302 81.7 179.0-165.1 62.9 9.7 -46.4 77.7 189 188 A L E -h 211 0B 8 21,-2.8 23,-3.0 -3,-0.4 2,-0.2 -0.659 26.3-134.5 -83.1 101.7 10.1 -49.1 80.3 190 189 A S E >> -h 212 0B 2 -2,-1.0 4,-1.1 21,-0.2 3,-0.7 -0.401 6.8-136.5 -57.8 124.2 8.0 -48.1 83.3 191 190 A S T 34 S+ 0 0 24 21,-3.5 -1,-0.2 1,-0.2 22,-0.1 0.746 103.9 59.7 -51.4 -30.0 10.0 -48.6 86.6 192 191 A I T >> S+ 0 0 56 20,-0.3 4,-1.9 1,-0.2 3,-1.0 0.927 99.2 54.4 -66.6 -45.8 6.9 -50.2 88.1 193 192 A S H <> S+ 0 0 16 -3,-0.7 4,-0.6 1,-0.3 8,-0.3 0.773 88.2 79.8 -59.6 -29.0 6.7 -53.0 85.5 194 193 A I H 3< S+ 0 0 4 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.152 118.0 12.9 -66.1 18.6 10.3 -53.7 86.5 195 194 A Y H X4 S+ 0 0 115 -3,-1.0 3,-0.6 39,-0.0 -2,-0.3 0.231 118.7 70.7-161.6 -15.1 8.6 -55.5 89.4 196 195 A S H 3< S+ 0 0 92 -4,-1.9 2,-0.9 1,-0.3 -3,-0.2 0.996 118.5 18.2 -65.6 -70.2 4.9 -55.7 88.4 197 196 A Y T 3X S+ 0 0 159 -4,-0.6 4,-1.7 1,-0.2 -1,-0.3 -0.778 85.4 169.4 -98.7 82.1 5.3 -58.3 85.6 198 197 A L H <> + 0 0 45 -2,-0.9 4,-3.0 -3,-0.6 5,-0.2 0.833 67.4 56.7 -69.1 -38.5 8.7 -59.4 86.9 199 198 A P H > S+ 0 0 85 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.901 108.3 49.8 -61.1 -37.8 9.1 -62.6 84.7 200 199 A A H > S+ 0 0 23 2,-0.2 4,-3.1 1,-0.2 5,-0.5 0.932 110.5 49.8 -63.7 -45.3 8.6 -60.4 81.6 201 200 A F H X S+ 0 0 27 -4,-1.7 4,-3.5 -8,-0.3 5,-0.4 0.947 109.9 50.3 -57.0 -49.7 11.2 -58.0 83.0 202 201 A K H < S+ 0 0 168 -4,-3.0 4,-0.3 1,-0.2 -1,-0.2 0.918 117.1 42.9 -50.6 -44.5 13.6 -60.9 83.6 203 202 A A H < S+ 0 0 65 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.840 136.1 9.6 -73.2 -37.9 12.9 -62.1 80.0 204 203 A F H >< S+ 0 0 134 -4,-3.1 3,-1.6 -5,-0.1 -3,-0.2 0.494 99.0 94.2-124.3 -7.4 13.1 -58.7 78.2 205 204 A G G >< S+ 0 0 3 -4,-3.5 3,-1.9 -5,-0.5 -3,-0.1 0.742 75.8 66.3 -66.9 -26.8 14.4 -56.1 80.7 206 205 A A G 3 S+ 0 0 104 -5,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.642 94.8 62.3 -68.8 -15.6 18.1 -56.4 79.6 207 206 A N G < S+ 0 0 100 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.399 76.6 140.2 -84.4 -0.2 16.9 -55.0 76.3 208 207 A A < + 0 0 10 -3,-1.9 -21,-0.1 1,-0.2 3,-0.1 -0.178 23.3 171.3 -52.7 126.8 15.8 -51.8 78.1 209 208 A K S S+ 0 0 51 -23,-2.9 -101,-3.4 1,-0.4 -100,-1.0 0.706 71.7 22.4-102.5 -31.7 16.6 -48.7 76.1 210 209 A V E -G 107 0B 0 -24,-2.5 -21,-2.8 -103,-0.2 2,-0.5 -0.992 65.8-155.5-141.2 126.5 14.8 -46.2 78.2 211 210 A V E -Gh 106 189B 0 -105,-2.8 -105,-1.9 -2,-0.4 2,-0.6 -0.895 9.1-158.0-103.1 134.0 13.8 -46.4 81.8 212 211 A H E -Gh 105 190B 2 -23,-3.0 -21,-3.5 -2,-0.5 2,-2.2 -0.943 11.0-144.8-115.9 113.4 10.8 -44.4 82.9 213 212 A F - 0 0 6 -109,-2.9 -23,-0.1 -2,-0.6 -108,-0.0 -0.493 32.6-179.7 -82.7 76.7 10.6 -43.7 86.6 214 213 A L + 0 0 38 -2,-2.2 3,-0.2 4,-0.1 2,-0.1 -0.185 33.1 45.3 -70.1 163.5 6.9 -43.8 87.0 215 214 A G S S- 0 0 39 1,-0.2 -24,-0.0 -24,-0.0 -2,-0.0 -0.194 100.8 -57.3 93.1 178.0 5.0 -43.2 90.2 216 215 A Q S S+ 0 0 181 1,-0.1 2,-0.6 -2,-0.1 -1,-0.2 0.877 113.9 72.2 -63.1 -42.7 5.1 -40.7 93.0 217 216 A T - 0 0 72 -3,-0.2 -1,-0.1 2,-0.0 5,-0.0 -0.672 66.3-169.2 -90.7 114.4 8.7 -41.4 94.0 218 217 A K > - 0 0 18 -2,-0.6 3,-2.2 1,-0.1 4,-0.2 -0.587 39.3 -99.9 -98.6 161.9 11.3 -40.1 91.5 219 218 A P G > S+ 0 0 0 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.801 122.8 56.2 -52.5 -34.0 15.0 -40.9 91.5 220 219 A W G 3 S+ 0 0 25 1,-0.3 4,-0.1 -206,-0.1 -3,-0.0 0.588 93.7 68.4 -78.0 -11.2 15.8 -37.6 93.2 221 220 A N G < S+ 0 0 100 -3,-2.2 -1,-0.3 2,-0.1 2,-0.2 0.412 91.6 84.0 -82.3 -0.6 13.4 -38.4 96.1 222 221 A Y S < S- 0 0 74 -3,-1.2 2,-0.4 -4,-0.2 9,-0.0 -0.662 80.4-124.6 -97.9 158.1 15.9 -41.1 97.1 223 222 A T - 0 0 100 9,-2.2 9,-3.0 -2,-0.2 2,-0.5 -0.859 26.4-155.6 -97.6 138.2 19.1 -40.9 99.1 224 223 A Y E -I 231 0C 22 -2,-0.4 2,-0.7 7,-0.3 7,-0.2 -0.961 9.8-145.4-125.4 118.8 22.2 -42.1 97.4 225 224 A D E >> -I 230 0C 48 5,-2.4 5,-1.4 -2,-0.5 4,-1.0 -0.724 9.0-163.3 -81.3 115.3 25.2 -43.4 99.1 226 225 A T T 45S+ 0 0 93 -2,-0.7 -1,-0.2 3,-0.2 5,-0.1 0.640 85.6 53.8 -74.3 -18.3 28.2 -42.3 97.0 227 226 A K T 45S+ 0 0 187 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.942 119.3 30.2 -82.7 -54.2 30.6 -44.8 98.7 228 227 A T T 45S- 0 0 78 2,-0.2 -2,-0.2 1,-0.0 -1,-0.1 0.595 104.0-134.9 -78.3 -12.0 28.5 -47.9 98.2 229 228 A K T <5 + 0 0 121 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.877 64.8 111.5 59.4 43.0 27.1 -46.4 95.0 230 229 A S E < -I 225 0C 35 -5,-1.4 -5,-2.4 13,-0.1 -1,-0.2 -0.998 62.6-115.2-148.2 148.2 23.6 -47.4 95.8 231 230 A V E I 224 0C 19 -2,-0.3 -7,-0.3 -7,-0.2 9,-0.1 -0.270 360.0 360.0 -77.0 160.9 20.3 -45.7 96.7 232 231 A R 0 0 181 -9,-3.0 -9,-2.2 -2,-0.0 -2,-0.0 -0.992 360.0 360.0-126.5 360.0 18.2 -45.9 99.9 233 ! 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 0 164 0, 0.0 -39,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -83.9 13.4 -53.3 96.0 235 241 A H > + 0 0 93 1,-0.1 3,-0.5 -41,-0.0 4,-0.3 -0.811 360.0 172.8-121.9 89.5 15.3 -53.5 92.6 236 242 A P T 3> + 0 0 55 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.415 41.4 110.9 -83.7 -0.2 17.6 -50.4 92.6 237 243 A Q H 3> S+ 0 0 82 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.814 85.6 36.6 -43.2 -48.2 19.5 -51.1 89.4 238 244 A F H <> S+ 0 0 21 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.876 113.3 56.2 -80.8 -39.4 18.0 -48.3 87.4 239 245 A L H > S+ 0 0 24 -4,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.900 109.1 49.8 -50.1 -45.5 17.9 -45.9 90.3 240 246 A N H X S+ 0 0 32 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.808 108.0 51.6 -69.2 -34.2 21.6 -46.5 90.7 241 247 A V H X S+ 0 0 49 -4,-1.3 4,-2.2 -5,-0.3 -1,-0.2 0.943 111.8 47.7 -62.5 -48.3 22.3 -45.8 87.0 242 248 A W H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.937 115.7 44.4 -56.4 -50.2 20.4 -42.6 87.3 243 249 A W H X S+ 0 0 30 -4,-2.7 4,-3.5 2,-0.2 5,-0.3 0.810 107.5 57.9 -69.4 -31.3 22.3 -41.6 90.5 244 250 A D H X S+ 0 0 66 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.940 112.5 42.1 -61.4 -44.8 25.6 -42.7 89.0 245 251 A I H X>S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 5,-1.7 0.932 116.0 48.7 -65.0 -47.9 25.0 -40.2 86.2 246 252 A F H <>S+ 0 0 12 -4,-2.9 5,-3.4 3,-0.2 -2,-0.2 0.955 118.5 39.7 -56.4 -51.6 23.7 -37.6 88.6 247 253 A T H <5S+ 0 0 42 -4,-3.5 -2,-0.2 3,-0.2 -1,-0.2 0.933 124.2 38.4 -62.4 -49.4 26.7 -38.1 90.9 248 254 A T H <5S+ 0 0 82 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.926 135.1 9.9 -70.9 -48.9 29.3 -38.4 88.1 249 255 A S T X5S+ 0 0 48 -4,-2.9 4,-1.3 -5,-0.3 -3,-0.2 0.866 126.9 43.1-104.1 -46.8 28.1 -35.9 85.6 250 256 A V H > S+ 0 0 62 0, 0.0 4,-0.9 0, 0.0 5,-0.2 0.907 112.2 55.2 -58.9 -38.7 29.9 -31.5 89.3 253 259 A L H >X S+ 0 0 12 -4,-1.3 4,-1.3 1,-0.2 3,-0.9 0.902 105.5 50.6 -58.2 -42.9 28.2 -29.8 86.4 254 260 A L H 3< S+ 0 0 18 -4,-2.7 -1,-0.2 1,-0.2 -3,-0.2 0.874 107.0 57.0 -61.0 -35.1 26.0 -27.9 88.9 255 261 A Q H 3< S+ 0 0 139 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.605 112.2 38.4 -74.3 -16.3 29.2 -27.0 90.8 256 262 A Q H << 0 0 137 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.2 0.516 360.0 360.0-102.9 -10.4 30.7 -25.3 87.7 257 263 A F < 0 0 99 -4,-1.3 -3,-0.2 -5,-0.2 -2,-0.1 0.814 360.0 360.0 72.0 360.0 27.3 -23.9 86.8