==== 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 05-SEP-07 2R68 . COMPND 2 MOLECULE: GLYCOSYL TRANSFERASE, GROUP 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOTHERMOTHRIX ORENII; . AUTHOR J.SIVARAMAN,T.K.CHUA . 456 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20544.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 1 0.2 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 . 29 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.2 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 2 2 2 0 1 0 0 2 0 2 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 3 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 7 A I 0 0 92 0, 0.0 3,-0.1 0, 0.0 450,-0.1 0.000 360.0 360.0 360.0 -37.3 21.1 70.6 11.8 2 8 A K + 0 0 146 1,-0.3 44,-3.5 43,-0.1 2,-0.4 0.743 360.0 25.9-113.6 -37.9 24.9 70.7 12.1 3 9 A H E +a 46 0A 18 42,-0.2 113,-2.3 111,-0.1 114,-0.9 -0.994 62.9 164.8-136.7 129.6 25.9 68.3 14.9 4 10 A V E -ab 47 117A 0 42,-2.5 44,-2.2 -2,-0.4 2,-0.4 -0.970 23.0-140.3-141.2 157.7 24.2 65.2 16.2 5 11 A A E -ab 48 118A 2 112,-1.7 114,-2.6 -2,-0.3 2,-0.6 -0.972 3.7-155.1-125.4 132.2 25.0 62.2 18.3 6 12 A F E -ab 49 119A 0 42,-3.2 44,-2.3 -2,-0.4 2,-0.7 -0.917 15.4-149.8-103.4 115.6 23.9 58.6 17.7 7 13 A L E +ab 50 120A 0 112,-2.7 114,-1.5 -2,-0.6 44,-0.2 -0.796 33.6 150.6 -91.3 118.2 23.9 56.6 21.0 8 14 A N + 0 0 0 42,-2.5 44,-0.3 -2,-0.7 114,-0.1 -0.569 9.1 169.7-146.4 73.5 24.6 52.9 20.5 9 15 A P + 0 0 2 0, 0.0 43,-0.4 0, 0.0 42,-0.1 0.730 58.0 76.0 -59.2 -28.1 26.4 51.5 23.6 10 16 A Q S S- 0 0 11 41,-0.1 42,-0.1 2,-0.1 -2,-0.0 -0.324 99.4 -2.6 -82.9 170.0 26.1 47.9 22.5 11 17 A G S S- 0 0 5 77,-0.3 41,-0.4 40,-0.1 2,-0.3 -0.171 88.2-119.6 49.4-139.0 28.2 46.1 19.8 12 18 A N - 0 0 2 13,-0.2 2,-0.3 6,-0.1 41,-0.1 -0.986 9.1-116.7-177.9-179.8 30.6 48.6 18.2 13 19 A F + 0 0 2 -2,-0.3 38,-0.1 36,-0.1 17,-0.0 -0.991 31.3 151.4-139.6 146.1 31.8 50.4 15.1 14 20 A D > - 0 0 10 -2,-0.3 3,-2.6 53,-0.0 55,-0.1 -0.962 57.0 -91.1-168.4 156.9 35.1 50.4 13.2 15 21 A P T 3 S+ 0 0 65 0, 0.0 55,-0.3 0, 0.0 54,-0.0 0.662 123.7 44.1 -45.9 -24.7 36.6 50.9 9.7 16 22 A A T 3 S- 0 0 71 53,-0.1 3,-0.1 2,-0.0 53,-0.0 0.352 103.8-122.5-108.7 6.8 36.3 47.1 8.9 17 23 A D X - 0 0 49 -3,-2.6 3,-1.1 1,-0.1 -4,-0.0 0.947 42.2-151.7 52.0 52.3 32.8 46.4 10.3 18 24 A S T 3 + 0 0 17 1,-0.2 -1,-0.1 -4,-0.1 -6,-0.1 -0.247 61.1 3.8 -63.4 139.6 34.3 43.8 12.6 19 25 A Y T > S+ 0 0 45 1,-0.2 3,-1.3 -3,-0.1 4,-0.3 0.447 79.6 164.4 68.6 5.9 32.4 40.7 13.8 20 26 A W T < S+ 0 0 64 -3,-1.1 -1,-0.2 1,-0.3 7,-0.2 -0.230 72.4 8.2 -54.0 139.5 29.3 41.4 11.8 21 27 A T T 3 S+ 0 0 100 5,-2.2 -1,-0.3 2,-0.3 6,-0.1 0.858 113.8 89.6 54.6 38.0 27.0 38.4 11.6 22 28 A E S < S+ 0 0 147 -3,-1.3 -2,-0.2 4,-0.5 -1,-0.1 0.291 87.1 29.2-140.9 1.8 29.3 36.6 14.1 23 29 A H S > S- 0 0 54 3,-0.3 3,-1.6 -4,-0.3 -1,-0.4 -0.970 78.1-112.4-162.9 148.2 27.7 37.6 17.4 24 30 A P T 3 S+ 0 0 101 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.880 117.9 47.6 -51.3 -42.9 24.3 38.5 18.8 25 31 A D T 3 S+ 0 0 3 1,-0.2 2,-0.4 -3,-0.1 -13,-0.2 0.545 101.8 68.4 -78.3 -7.4 25.3 42.1 19.5 26 32 A F S < S+ 0 0 1 -3,-1.6 -5,-2.2 -7,-0.2 -4,-0.5 -0.471 78.0 106.7-113.6 64.3 26.9 42.6 16.0 27 33 A G S >> S- 0 0 32 -2,-0.4 3,-1.2 -3,-0.3 4,-1.0 -0.182 85.3 -44.0-116.1-152.0 23.9 42.5 13.7 28 34 A G H 3> S+ 0 0 57 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.684 119.5 70.5 -55.3 -24.9 21.8 44.7 11.5 29 35 A Q H 3> S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.915 99.9 48.3 -61.7 -40.1 21.5 47.5 14.1 30 36 A L H <> S+ 0 0 0 -3,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.927 112.3 48.5 -64.7 -43.7 25.2 48.3 13.6 31 37 A V H X S+ 0 0 32 -4,-1.0 4,-2.9 1,-0.2 5,-0.3 0.945 112.0 50.0 -59.2 -49.1 24.8 48.4 9.8 32 38 A Y H X S+ 0 0 14 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.930 111.4 47.0 -56.8 -50.4 21.7 50.6 10.2 33 39 A V H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.866 114.3 48.5 -62.0 -37.5 23.5 53.1 12.4 34 40 A K H X S+ 0 0 7 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.939 113.4 44.9 -67.8 -49.9 26.5 53.2 10.2 35 41 A E H X S+ 0 0 12 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.903 115.2 46.1 -64.5 -43.5 24.6 53.7 6.9 36 42 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.939 115.4 47.7 -64.7 -45.7 22.2 56.4 8.3 37 43 A S H X S+ 0 0 0 -4,-1.7 4,-1.5 -5,-0.3 -2,-0.2 0.917 112.5 48.5 -60.1 -45.9 25.1 58.2 9.9 38 44 A L H X S+ 0 0 8 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.862 111.9 49.7 -64.0 -35.1 27.2 58.1 6.7 39 45 A A H X S+ 0 0 7 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.778 107.0 54.5 -74.6 -26.6 24.2 59.3 4.7 40 46 A L H <>S+ 0 0 0 -4,-1.8 5,-2.0 2,-0.2 3,-0.2 0.806 102.3 59.8 -73.7 -27.0 23.8 62.1 7.2 41 47 A A H ><5S+ 0 0 8 -4,-1.5 3,-2.9 1,-0.2 -2,-0.2 0.953 98.4 56.3 -62.4 -49.5 27.4 63.0 6.5 42 48 A E H 3<5S+ 0 0 148 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.792 102.2 57.3 -51.5 -31.9 26.6 63.5 2.8 43 49 A M T 3<5S- 0 0 60 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.291 124.7-106.1 -84.6 10.8 24.0 66.1 3.9 44 50 A G T < 5S+ 0 0 54 -3,-2.9 2,-0.5 1,-0.2 -3,-0.2 0.755 73.8 140.8 73.3 24.7 26.8 68.0 5.7 45 51 A V < - 0 0 3 -5,-2.0 2,-0.4 -8,-0.1 -1,-0.2 -0.870 52.6-128.2-103.2 130.9 25.8 66.9 9.2 46 52 A Q E -a 3 0A 50 -44,-3.5 -42,-2.5 -2,-0.5 2,-0.5 -0.627 31.8-168.5 -75.0 127.8 28.5 66.1 11.8 47 53 A V E -ac 4 75A 0 27,-3.5 29,-2.8 -2,-0.4 2,-0.5 -0.969 14.5-167.4-128.8 122.4 27.7 62.7 13.3 48 54 A D E -ac 5 76A 0 -44,-2.2 -42,-3.2 -2,-0.5 2,-0.9 -0.916 9.1-156.4-105.4 124.3 29.2 61.1 16.3 49 55 A I E -ac 6 77A 0 27,-1.6 29,-2.0 -2,-0.5 2,-0.8 -0.876 15.3-158.4 -99.5 102.8 28.4 57.4 16.8 50 56 A I E +ac 7 78A 3 -44,-2.3 -42,-2.5 -2,-0.9 29,-0.2 -0.756 27.5 148.3 -89.5 111.3 29.0 56.9 20.6 51 57 A T E - c 0 79A 0 27,-2.2 29,-2.7 -2,-0.8 2,-0.4 -0.433 48.6 -68.8-122.0-163.6 29.6 53.3 21.5 52 58 A R E - c 0 80A 4 -41,-0.4 2,-0.3 -43,-0.4 27,-0.1 -0.803 35.6-127.1-104.2 138.4 31.7 51.6 24.2 53 59 A R - 0 0 64 27,-1.6 2,-0.5 -2,-0.4 29,-0.4 -0.576 27.6-160.5 -75.5 134.4 35.5 51.5 24.5 54 60 A I - 0 0 2 8,-2.8 2,-0.4 -2,-0.3 32,-0.2 -0.974 21.7-179.7-125.2 123.0 36.7 47.9 24.9 55 61 A K + 0 0 109 30,-1.6 2,-0.4 -2,-0.5 30,-0.1 -0.628 44.5 122.7-117.1 68.2 40.1 46.9 26.3 56 62 A D > - 0 0 23 3,-0.5 3,-2.7 -2,-0.4 6,-0.2 -0.989 60.1-141.6-133.5 118.9 39.7 43.2 25.9 57 63 A E T 3 S+ 0 0 169 -2,-0.4 29,-0.0 1,-0.3 -1,-0.0 0.478 100.8 66.4 -62.0 -1.3 42.2 41.2 23.8 58 64 A N T 3 S+ 0 0 127 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.581 112.1 34.4 -92.0 -12.6 39.4 39.0 22.5 59 65 A W S X S+ 0 0 34 -3,-2.7 3,-1.3 1,-0.1 -3,-0.5 -0.599 74.9 166.0-138.2 68.2 38.1 42.1 20.7 60 66 A P G > + 0 0 63 0, 0.0 3,-0.7 0, 0.0 -3,-0.1 0.679 63.9 71.3 -59.9 -22.8 41.4 43.9 19.8 61 67 A E G 3 S+ 0 0 72 1,-0.2 3,-0.2 2,-0.1 -4,-0.1 0.633 87.1 62.9 -74.4 -13.4 39.7 46.3 17.4 62 68 A F G < S+ 0 0 0 -3,-1.3 -8,-2.8 -6,-0.2 -1,-0.2 0.026 70.2 98.5-106.8 34.2 37.9 48.5 20.0 63 69 A S < + 0 0 48 -3,-0.7 -1,-0.1 -10,-0.2 -2,-0.1 0.957 58.1 85.2 -80.2 -56.5 40.7 50.0 22.0 64 70 A G S S- 0 0 36 -3,-0.2 -10,-0.2 1,-0.1 15,-0.1 -0.111 70.1-140.9 -49.8 142.4 41.1 53.5 20.5 65 71 A E S S+ 0 0 68 1,-0.1 14,-3.4 13,-0.1 2,-0.4 0.827 89.1 38.4 -74.2 -32.2 38.8 56.2 21.9 66 72 A I E +D 78 0A 65 12,-0.2 2,-0.3 2,-0.0 12,-0.2 -0.913 68.0 160.3-121.1 146.3 38.4 57.7 18.4 67 73 A D E -D 77 0A 41 10,-1.3 10,-2.3 -2,-0.4 2,-0.3 -0.979 17.1-150.9-158.7 159.2 38.1 55.9 15.1 68 74 A Y E -D 76 0A 90 -2,-0.3 2,-0.3 8,-0.2 8,-0.1 -0.896 18.2-118.4-136.3 162.4 36.8 56.7 11.6 69 75 A Y - 0 0 6 6,-0.5 3,-0.3 3,-0.4 6,-0.1 -0.712 34.0-119.4 -94.3 151.9 35.3 55.1 8.5 70 76 A Q S S+ 0 0 166 -2,-0.3 -1,-0.1 -55,-0.3 0, 0.0 0.915 104.1 64.0 -57.0 -47.1 37.4 55.4 5.3 71 77 A E S S- 0 0 88 2,-0.0 2,-0.2 -3,-0.0 -1,-0.2 0.807 111.2 -6.9 -47.6 -49.2 34.7 57.3 3.4 72 78 A T - 0 0 43 -3,-0.3 -3,-0.4 3,-0.1 -34,-0.0 -0.826 41.9-135.5-144.9-178.9 34.5 60.6 5.4 73 79 A N S S+ 0 0 95 -2,-0.2 -3,-0.0 -5,-0.1 -2,-0.0 0.192 91.6 83.5-123.7 8.6 35.5 62.5 8.5 74 80 A K S S+ 0 0 87 1,-0.1 -27,-3.5 -28,-0.1 2,-0.6 0.532 83.5 66.5 -87.8 -10.1 32.0 63.8 9.2 75 81 A V E S-c 47 0A 0 -29,-0.2 2,-0.6 -6,-0.1 -6,-0.5 -0.963 70.8-173.1-114.1 113.8 31.2 60.5 11.0 76 82 A R E -cD 48 68A 35 -29,-2.8 -27,-1.6 -2,-0.6 2,-0.7 -0.932 16.8-144.9-114.9 116.2 33.3 60.2 14.2 77 83 A I E -cD 49 67A 0 -10,-2.3 -10,-1.3 -2,-0.6 2,-0.6 -0.656 17.8-167.1 -78.8 113.2 33.2 57.0 16.2 78 84 A V E -cD 50 66A 0 -29,-2.0 -27,-2.2 -2,-0.7 2,-0.6 -0.909 3.3-161.1-107.1 114.6 33.5 57.9 19.9 79 85 A R E -c 51 0A 2 -14,-3.4 -27,-0.3 -2,-0.6 -29,-0.1 -0.852 6.5-166.9 -98.0 118.6 34.2 55.0 22.2 80 86 A I E -c 52 0A 2 -29,-2.7 -27,-1.6 -2,-0.6 2,-0.2 -0.909 15.9-131.8-107.9 129.5 33.4 55.7 25.8 81 87 A P + 0 0 38 0, 0.0 2,-0.3 0, 0.0 22,-0.1 -0.578 42.9 134.5 -81.9 139.2 34.7 53.4 28.6 82 88 A F + 0 0 2 -29,-0.4 14,-0.1 2,-0.4 15,-0.1 -0.912 48.6 41.2-176.5 151.9 32.3 52.0 31.3 83 89 A G S S- 0 0 10 -2,-0.3 2,-0.2 13,-0.1 13,-0.1 0.884 117.7 -62.9 69.6 38.9 31.5 48.8 33.0 84 90 A G - 0 0 54 1,-0.1 -2,-0.4 -3,-0.0 4,-0.1 -0.561 66.0 -79.5 88.7-153.9 35.1 47.7 33.4 85 91 A D S S+ 0 0 87 -2,-0.2 -30,-1.6 -4,-0.1 -1,-0.1 0.670 95.3 91.6-117.7 -41.9 37.4 47.0 30.4 86 92 A K S S- 0 0 158 -32,-0.2 -30,-0.1 1,-0.1 0, 0.0 -0.198 90.4 -84.8 -60.9 147.7 36.4 43.5 29.3 87 93 A F - 0 0 30 1,-0.1 -1,-0.1 -33,-0.1 -2,-0.1 -0.055 44.8-156.2 -48.8 154.0 33.8 43.0 26.6 88 94 A L - 0 0 34 -77,-0.1 -77,-0.3 -3,-0.1 5,-0.1 -0.982 14.8-126.4-141.6 125.9 30.2 43.0 27.7 89 95 A P > - 0 0 52 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.343 38.2-106.5 -64.3 156.1 27.1 41.5 26.1 90 96 A K G > S+ 0 0 25 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.836 118.3 66.2 -53.2 -35.3 24.3 44.1 25.6 91 97 A E G 3 S+ 0 0 31 1,-0.3 -1,-0.3 2,-0.1 83,-0.1 0.428 99.1 54.5 -69.0 4.3 22.3 42.5 28.4 92 98 A E G < S+ 0 0 68 -3,-2.2 -1,-0.3 2,-0.1 4,-0.3 0.437 84.3 81.7-114.2 -5.4 25.1 43.6 30.9 93 99 A L X> + 0 0 2 -3,-1.6 4,-2.1 -4,-0.3 3,-1.1 0.646 65.7 90.6 -77.6 -15.3 25.2 47.3 30.1 94 100 A W G >4 S+ 0 0 22 -4,-0.3 3,-0.6 1,-0.3 4,-0.4 0.928 85.6 46.1 -49.6 -61.3 22.2 48.3 32.3 95 101 A P G 34 S+ 0 0 58 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.711 120.0 41.9 -58.1 -17.3 24.0 49.0 35.6 96 102 A Y G X> S+ 0 0 87 -3,-1.1 3,-2.2 -4,-0.3 4,-1.5 0.705 80.7 95.0-104.0 -21.1 26.7 51.1 33.8 97 103 A L H S+ 0 0 103 -4,-0.4 4,-2.1 2,-0.2 -1,-0.3 0.888 103.4 50.0 -70.2 -36.5 24.7 56.0 33.8 99 105 A E H <> S+ 0 0 57 -3,-2.2 4,-2.8 2,-0.2 5,-0.3 0.983 107.2 55.6 -59.7 -56.8 28.5 56.1 33.8 100 106 A Y H X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.3 -2,-0.2 0.867 108.0 48.2 -39.9 -52.4 28.5 56.2 30.0 101 107 A V H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 -1,-0.3 0.920 110.0 51.7 -60.7 -45.7 26.2 59.3 30.0 102 108 A N H X S+ 0 0 70 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.925 112.3 45.4 -58.3 -45.8 28.5 61.0 32.6 103 109 A K H X S+ 0 0 75 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.868 109.8 57.0 -66.8 -32.4 31.5 60.4 30.5 104 110 A I H X S+ 0 0 2 -4,-2.3 4,-1.8 -5,-0.3 5,-0.2 0.950 107.0 47.5 -61.4 -48.3 29.5 61.5 27.4 105 111 A I H X S+ 0 0 33 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.898 111.4 51.0 -60.1 -42.1 28.8 64.9 29.1 106 112 A N H X S+ 0 0 84 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.946 105.4 57.0 -59.9 -48.9 32.5 65.3 30.1 107 113 A F H X S+ 0 0 37 -4,-2.6 4,-1.6 1,-0.3 3,-0.3 0.941 113.1 37.8 -46.3 -62.3 33.7 64.6 26.5 108 114 A Y H X>S+ 0 0 5 -4,-1.8 4,-1.9 1,-0.2 5,-1.4 0.773 109.9 63.4 -64.2 -26.1 31.6 67.4 25.0 109 115 A R H <5S+ 0 0 161 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.945 104.7 46.9 -63.0 -45.3 32.4 69.6 28.0 110 116 A E H <5S+ 0 0 153 -4,-2.6 -2,-0.2 -3,-0.3 -1,-0.2 0.874 112.5 49.1 -62.6 -39.1 36.0 69.4 27.0 111 117 A E H <5S- 0 0 63 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.776 103.4-133.7 -72.1 -25.1 35.2 70.2 23.4 112 118 A G T <5S+ 0 0 70 -4,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.673 75.9 94.7 78.8 16.5 33.1 73.1 24.5 113 119 A K < - 0 0 117 -5,-1.4 -1,-0.2 0, 0.0 -2,-0.2 -0.999 54.9-163.8-143.4 137.7 30.4 71.9 22.1 114 120 A F - 0 0 56 -2,-0.3 -111,-0.1 -3,-0.1 -9,-0.0 -0.942 34.6-103.1-119.6 142.1 27.3 69.7 22.6 115 121 A P - 0 0 3 0, 0.0 -111,-0.2 0, 0.0 3,-0.1 -0.268 26.4-130.9 -59.6 153.6 25.4 68.0 19.8 116 122 A Q S S+ 0 0 81 -113,-2.3 2,-0.3 1,-0.2 -112,-0.2 0.910 84.2 6.9 -73.8 -42.9 22.1 69.8 19.0 117 123 A V E -b 4 0A 0 -114,-0.9 -112,-1.7 21,-0.1 2,-0.3 -0.935 67.7-142.9-137.4 161.0 20.0 66.6 19.0 118 124 A V E -be 5 140A 2 21,-2.1 23,-2.0 -2,-0.3 2,-0.4 -0.947 3.7-159.8-126.9 144.9 20.5 62.9 19.9 119 125 A T E -be 6 141A 0 -114,-2.6 -112,-2.7 -2,-0.3 2,-0.3 -0.981 14.4-156.9-121.4 137.3 19.1 59.7 18.3 120 126 A T E -be 7 142A 0 21,-2.9 23,-1.5 -2,-0.4 2,-0.4 -0.843 5.5-157.9-116.5 154.2 19.1 56.5 20.3 121 127 A H E > - e 0 143A 0 -114,-1.5 4,-0.7 -2,-0.3 23,-0.2 -0.983 60.8 -3.2-136.3 121.6 19.0 52.9 19.2 122 128 A Y H > S- 0 0 11 21,-2.2 4,-2.1 -2,-0.4 3,-0.2 0.226 93.4 -76.3 78.0 156.6 17.8 50.0 21.4 123 129 A G H > S+ 0 0 1 23,-0.4 4,-3.2 21,-0.2 5,-0.2 0.824 129.3 57.1 -54.3 -38.0 16.7 50.3 24.9 124 130 A D H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.954 111.8 42.7 -61.3 -45.6 20.2 50.7 26.3 125 131 A G H X S+ 0 0 0 -4,-0.7 4,-1.6 -3,-0.2 -1,-0.2 0.828 113.6 53.2 -67.4 -32.7 20.9 53.6 24.1 126 132 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 3,-0.2 0.954 106.2 50.7 -66.7 -49.4 17.4 55.0 24.9 127 133 A L H X S+ 0 0 29 -4,-3.2 4,-2.4 1,-0.3 3,-0.3 0.917 109.0 53.8 -52.8 -42.5 18.0 54.8 28.6 128 134 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.3 0.885 107.0 52.1 -58.5 -38.7 21.2 56.7 27.8 129 135 A G H X S+ 0 0 1 -4,-1.6 4,-0.6 -3,-0.2 -1,-0.2 0.814 107.2 51.3 -68.6 -31.0 19.1 59.2 26.1 130 136 A V H >X S+ 0 0 11 -4,-2.0 4,-2.8 -3,-0.3 3,-0.9 0.959 113.7 43.3 -69.6 -51.1 16.8 59.7 29.1 131 137 A L H 3X S+ 0 0 47 -4,-2.4 4,-1.4 1,-0.3 5,-0.2 0.934 113.9 51.6 -58.2 -47.7 19.7 60.2 31.5 132 138 A L H 3X S+ 0 0 7 -4,-2.6 4,-1.1 -5,-0.2 6,-0.7 0.642 114.8 43.6 -65.8 -15.9 21.4 62.5 29.0 133 139 A K H - 0 0 5 -2,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.666 15.0-132.7 -95.9 147.5 11.6 45.5 21.7 148 154 A G H > S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.871 102.7 58.7 -60.2 -42.2 11.7 43.6 25.0 149 155 A A H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.964 107.0 46.9 -52.9 -57.7 8.0 42.9 25.1 150 156 A Q H > S+ 0 0 51 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.863 110.9 51.6 -53.2 -43.1 8.0 41.0 21.7 151 157 A K H < S+ 0 0 85 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.932 107.3 52.7 -61.5 -45.7 11.1 39.0 22.7 152 158 A M H < S+ 0 0 54 -4,-2.5 -1,-0.2 1,-0.2 5,-0.2 0.819 101.5 66.5 -58.8 -31.3 9.4 37.9 25.9 153 159 A E H >< S+ 0 0 115 -4,-1.6 3,-0.7 -5,-0.2 -2,-0.2 0.986 95.9 51.2 -54.0 -77.0 6.5 36.8 23.8 154 160 A K T 3< S+ 0 0 187 -4,-1.3 3,-0.0 1,-0.3 0, 0.0 -0.442 124.5 22.0 -61.5 135.8 8.2 34.0 21.9 155 161 A L T 3 S- 0 0 58 -2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.955 103.1-156.5 67.2 46.0 9.7 31.8 24.6 156 162 A N < - 0 0 42 -3,-0.7 2,-0.8 1,-0.1 -3,-0.2 -0.108 16.7-124.3 -55.2 155.3 7.2 33.4 27.0 157 163 A V + 0 0 37 -5,-0.2 2,-3.8 3,-0.1 -1,-0.1 -0.526 30.7 177.3-104.1 66.7 8.0 33.5 30.7 158 164 A N - 0 0 77 -2,-0.8 2,-2.1 1,-0.2 4,-0.2 -0.200 66.3 -88.7 -66.1 56.0 4.9 31.7 32.1 159 165 A T S > S+ 0 0 134 -2,-3.8 3,-0.8 2,-0.3 4,-0.3 0.119 129.9 80.3 60.8 -28.8 6.4 32.0 35.6 160 166 A S T 3 S+ 0 0 121 -2,-2.1 2,-0.4 1,-0.3 -1,-0.2 0.918 108.5 26.7 -67.9 -42.2 8.1 28.6 34.9 161 167 A N T 3 S+ 0 0 30 1,-0.1 -1,-0.3 -5,-0.1 -2,-0.3 -0.628 93.1 109.9-117.6 67.8 10.6 30.7 33.0 162 168 A F S < S+ 0 0 38 -3,-0.8 4,-0.3 -2,-0.4 -1,-0.1 0.708 86.7 25.6-111.1 -32.2 10.3 34.0 34.9 163 169 A K S S+ 0 0 57 -4,-0.3 4,-0.3 -3,-0.2 -2,-0.1 0.721 120.2 53.9-102.9 -30.6 13.6 34.3 36.8 164 170 A E S > S+ 0 0 73 -4,-0.2 4,-1.9 2,-0.2 3,-0.4 0.939 113.1 43.2 -69.2 -47.0 15.8 32.1 34.6 165 171 A M H > S+ 0 0 58 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.871 113.4 51.8 -65.1 -38.1 14.9 34.2 31.4 166 172 A D H > S+ 0 0 38 -4,-0.3 4,-0.8 1,-0.2 -1,-0.3 0.633 107.3 58.3 -72.1 -12.6 15.3 37.4 33.5 167 173 A E H 4 S+ 0 0 41 -3,-0.4 -2,-0.2 -4,-0.3 -1,-0.2 0.898 115.4 30.2 -81.3 -45.1 18.6 35.8 34.4 168 174 A R H < S+ 0 0 53 -4,-1.9 -2,-0.2 1,-0.1 -3,-0.2 0.704 136.1 27.0 -87.5 -19.3 19.9 35.5 30.9 169 175 A F H < S- 0 0 53 -4,-2.6 -3,-0.2 -5,-0.2 5,-0.2 0.500 83.8-136.3-123.9 -4.2 18.1 38.5 29.4 170 176 A K >X + 0 0 35 -4,-0.8 4,-2.4 -5,-0.3 3,-1.0 0.899 39.2 165.7 47.3 47.8 17.4 41.1 32.2 171 177 A F H 3> + 0 0 15 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.873 69.1 56.5 -62.1 -40.6 13.9 41.6 30.9 172 178 A H H 34 S+ 0 0 110 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.654 114.2 43.5 -68.6 -10.4 12.6 43.4 34.0 173 179 A R H <> S+ 0 0 109 -3,-1.0 4,-1.4 2,-0.1 -2,-0.2 0.813 114.6 46.7 -96.2 -44.0 15.4 45.8 33.4 174 180 A R H X S+ 0 0 7 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.946 110.9 51.3 -63.9 -51.5 15.0 46.2 29.6 175 181 A I H X S+ 0 0 8 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.922 111.7 46.4 -54.9 -49.0 11.3 46.7 29.7 176 182 A I H > S+ 0 0 94 -4,-0.4 4,-1.9 -5,-0.3 -1,-0.2 0.848 112.0 53.6 -63.6 -32.1 11.5 49.4 32.3 177 183 A A H X S+ 0 0 3 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.944 109.3 46.3 -66.2 -48.8 14.3 51.0 30.3 178 184 A E H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.830 108.7 57.2 -63.0 -34.6 12.2 51.1 27.1 179 185 A R H X S+ 0 0 67 -4,-2.1 4,-3.2 -5,-0.3 -1,-0.2 0.952 108.0 46.2 -62.4 -48.8 9.3 52.5 29.0 180 186 A L H X S+ 0 0 69 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.892 113.7 49.1 -59.8 -42.8 11.3 55.5 30.2 181 187 A T H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 3,-0.5 0.968 113.4 45.1 -62.8 -53.5 12.7 56.0 26.7 182 188 A M H < S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.962 113.2 53.3 -50.1 -55.0 9.3 55.9 25.1 183 189 A S H < S+ 0 0 68 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.774 120.3 30.3 -51.0 -36.6 8.0 58.1 27.8 184 190 A Y H < S+ 0 0 105 -4,-1.9 -44,-0.2 -3,-0.5 -1,-0.2 0.659 88.7 117.9-100.6 -20.9 10.7 60.8 27.2 185 191 A A < - 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