==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-SEP-07 2R60 . 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) . 20426.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.2 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 52 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 2 0 1 0 0 1 1 2 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 4 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 . 3 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 -32.9 20.8 70.7 11.8 2 8 A K + 0 0 142 1,-0.3 44,-2.9 43,-0.1 2,-0.4 0.701 360.0 25.0-120.6 -35.3 24.6 70.9 12.2 3 9 A H E +a 46 0A 18 42,-0.2 113,-2.1 111,-0.1 114,-1.0 -0.964 61.2 166.1-142.7 122.2 25.6 68.4 14.9 4 10 A V E -ab 47 117A 1 42,-3.3 44,-2.6 -2,-0.4 2,-0.4 -0.933 21.2-142.9-134.0 157.7 23.9 65.2 16.1 5 11 A A E -ab 48 118A 1 112,-1.8 114,-2.9 -2,-0.3 2,-0.6 -0.969 4.4-153.2-123.2 136.8 24.8 62.2 18.2 6 12 A F E -ab 49 119A 0 42,-3.5 44,-2.3 -2,-0.4 2,-0.8 -0.938 14.5-148.5-106.8 116.4 23.7 58.6 17.7 7 13 A L E +ab 50 120A 0 112,-3.3 114,-1.9 -2,-0.6 44,-0.2 -0.774 34.7 149.8 -93.0 112.4 23.7 56.6 21.0 8 14 A N + 0 0 0 42,-2.6 44,-0.3 -2,-0.8 114,-0.1 -0.614 7.9 167.1-140.3 74.8 24.6 53.0 20.4 9 15 A P + 0 0 1 0, 0.0 43,-0.4 0, 0.0 -1,-0.1 0.777 56.7 76.4 -60.9 -31.3 26.3 51.6 23.5 10 16 A Q S S- 0 0 10 41,-0.1 42,-0.1 2,-0.1 -2,-0.0 -0.307 99.3 -4.7 -81.1 168.8 26.0 47.9 22.5 11 17 A G S S- 0 0 3 77,-0.3 41,-0.4 40,-0.1 2,-0.3 -0.226 89.9-115.5 50.8-135.4 28.1 46.1 19.9 12 18 A N - 0 0 1 13,-0.3 2,-0.3 39,-0.1 -2,-0.1 -0.984 11.1-118.1-176.0-176.1 30.4 48.5 18.1 13 19 A F + 0 0 1 -2,-0.3 38,-0.1 36,-0.1 3,-0.0 -0.996 30.8 149.3-145.2 143.3 31.7 50.4 15.0 14 20 A D > - 0 0 7 -2,-0.3 3,-2.6 53,-0.1 55,-0.1 -0.956 57.3 -95.4-168.3 156.0 35.0 50.5 13.1 15 21 A P T 3 S+ 0 0 67 0, 0.0 55,-0.2 0, 0.0 54,-0.0 0.742 123.5 47.8 -48.6 -28.9 36.3 51.0 9.5 16 22 A A T 3 S- 0 0 75 53,-0.1 3,-0.1 -3,-0.0 53,-0.0 0.332 104.0-126.7 -99.2 7.9 36.3 47.3 8.9 17 23 A D X - 0 0 46 -3,-2.6 3,-1.0 1,-0.1 2,-0.1 0.939 39.0-152.8 45.4 56.5 32.8 46.5 10.2 18 24 A S T 3 + 0 0 15 1,-0.2 -1,-0.1 43,-0.1 -6,-0.1 -0.326 60.0 4.7 -68.1 139.1 34.3 43.9 12.5 19 25 A Y T > S+ 0 0 45 1,-0.2 3,-1.0 -3,-0.1 4,-0.4 0.423 78.7 158.8 72.0 4.5 32.3 40.9 13.7 20 26 A W T < S+ 0 0 62 -3,-1.0 -1,-0.2 1,-0.3 7,-0.2 -0.275 73.9 10.2 -55.9 142.6 29.1 41.6 11.7 21 27 A T T 3 S+ 0 0 100 5,-1.6 -1,-0.3 2,-0.2 6,-0.1 0.915 116.1 85.1 50.0 47.1 27.1 38.4 11.3 22 28 A E S < S+ 0 0 150 -3,-1.0 -2,-0.2 4,-0.6 -1,-0.1 0.292 88.8 31.4-152.5 -2.7 29.4 36.7 13.9 23 29 A H B > S-H 26 0B 55 3,-0.6 3,-1.2 -4,-0.4 -1,-0.5 -0.982 76.0-116.0-158.3 152.6 27.8 37.7 17.2 24 30 A P T 3 S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.821 116.7 48.5 -62.7 -31.8 24.3 38.4 18.6 25 31 A D T 3 S+ 0 0 3 1,-0.2 2,-0.5 -3,-0.0 -13,-0.3 0.440 102.9 68.7 -88.4 0.7 25.2 42.1 19.4 26 32 A F B < S+H 23 0B 2 -3,-1.2 -5,-1.6 -7,-0.2 -4,-0.6 -0.719 78.2 94.9-121.7 81.2 26.7 42.6 15.9 27 33 A G S >> S- 0 0 31 -2,-0.5 3,-1.4 -7,-0.2 4,-1.3 -0.461 87.0 -30.4-139.4-149.5 23.9 42.5 13.4 28 34 A G H 3> S+ 0 0 58 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.675 120.1 66.3 -50.6 -27.8 21.5 44.7 11.5 29 35 A Q H 3> S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.900 103.6 46.3 -64.9 -38.6 21.3 47.4 14.1 30 36 A L H <> S+ 0 0 1 -3,-1.4 4,-2.6 2,-0.2 5,-0.2 0.923 110.7 51.7 -69.1 -43.0 24.9 48.3 13.5 31 37 A V H X S+ 0 0 33 -4,-1.3 4,-2.6 1,-0.2 5,-0.2 0.936 111.6 49.3 -57.5 -45.6 24.5 48.3 9.8 32 38 A Y H X S+ 0 0 12 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.924 111.4 46.2 -58.4 -52.8 21.5 50.6 10.2 33 39 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.904 114.3 49.5 -61.1 -41.1 23.3 53.1 12.5 34 40 A K H X S+ 0 0 4 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.958 114.2 43.2 -62.5 -52.7 26.4 53.2 10.2 35 41 A E H X S+ 0 0 16 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.860 115.1 47.7 -65.5 -38.3 24.4 53.8 6.9 36 42 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.917 113.1 49.8 -69.5 -39.6 22.0 56.4 8.3 37 43 A S H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.3 -2,-0.2 0.927 111.4 48.1 -61.7 -46.4 25.0 58.3 9.9 38 44 A L H X S+ 0 0 8 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.841 111.9 48.9 -64.3 -36.2 27.0 58.2 6.7 39 45 A A H X S+ 0 0 2 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.835 109.2 52.7 -74.5 -31.4 24.0 59.5 4.6 40 46 A L H ><>S+ 0 0 1 -4,-2.0 5,-1.7 1,-0.2 3,-0.8 0.871 105.7 55.9 -68.6 -33.3 23.4 62.2 7.2 41 47 A A H ><5S+ 0 0 9 -4,-1.8 3,-2.2 1,-0.3 -2,-0.2 0.900 100.0 58.6 -62.7 -40.8 27.1 63.1 6.7 42 48 A E H 3<5S+ 0 0 152 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.713 100.6 57.6 -61.4 -21.0 26.4 63.5 3.0 43 49 A M T <<5S- 0 0 63 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.320 126.6-100.1 -92.4 7.0 23.8 66.2 3.9 44 50 A G T < 5S+ 0 0 57 -3,-2.2 2,-0.4 1,-0.3 -3,-0.2 0.711 78.6 137.1 83.9 20.8 26.4 68.2 5.7 45 51 A V < - 0 0 5 -5,-1.7 2,-0.6 -8,-0.1 -1,-0.3 -0.840 53.3-130.0-103.3 137.2 25.5 67.1 9.2 46 52 A Q E -a 3 0A 53 -44,-2.9 -42,-3.3 -2,-0.4 2,-0.5 -0.765 29.8-169.6 -85.2 121.6 28.1 66.2 11.8 47 53 A V E -ac 4 75A 0 27,-2.5 29,-2.4 -2,-0.6 2,-0.6 -0.946 13.7-164.4-120.9 121.7 27.3 62.9 13.3 48 54 A D E -ac 5 76A 0 -44,-2.6 -42,-3.5 -2,-0.5 2,-0.9 -0.903 7.8-157.2-101.8 121.1 28.9 61.3 16.3 49 55 A I E -ac 6 77A 0 27,-2.2 29,-2.4 -2,-0.6 2,-0.7 -0.857 16.6-161.0 -95.6 102.1 28.2 57.6 16.7 50 56 A I E +ac 7 78A 2 -44,-2.3 -42,-2.6 -2,-0.9 29,-0.2 -0.780 26.2 145.9 -92.1 116.5 28.9 57.1 20.5 51 57 A T E - c 0 79A 0 27,-2.9 29,-3.0 -2,-0.7 2,-0.4 -0.486 48.0 -60.5-130.9-160.8 29.5 53.5 21.5 52 58 A R E - c 0 80A 4 -43,-0.4 2,-0.5 -41,-0.4 27,-0.1 -0.756 34.2-134.0-101.3 140.1 31.6 51.6 24.0 53 59 A R - 0 0 73 27,-1.5 29,-0.5 -2,-0.4 2,-0.5 -0.744 26.7-165.2 -85.8 126.2 35.4 51.6 24.4 54 60 A I - 0 0 1 8,-2.8 2,-0.6 -2,-0.5 32,-0.2 -0.964 19.5-176.5-120.7 123.1 36.5 48.0 24.8 55 61 A K + 0 0 112 30,-2.2 2,-0.3 -2,-0.5 30,-0.1 -0.791 43.3 122.2-117.1 82.6 40.0 47.0 26.1 56 62 A D B > -I 59 0C 26 -2,-0.6 3,-2.5 3,-0.5 6,-0.2 -0.964 60.7-137.9-146.5 120.6 39.8 43.2 25.8 57 63 A E T 3 S+ 0 0 167 -2,-0.3 4,-0.1 1,-0.3 29,-0.0 0.598 103.9 62.1 -60.3 -12.4 42.2 41.2 23.6 58 64 A N T 3 S+ 0 0 128 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.588 115.0 35.5 -86.8 -10.2 39.5 39.0 22.3 59 65 A W B X S+I 56 0C 38 -3,-2.5 3,-1.1 1,-0.1 -3,-0.5 -0.556 74.8 157.3-137.9 64.8 38.0 42.3 20.8 60 66 A P G > + 0 0 59 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.790 60.1 72.5 -63.1 -32.2 41.2 44.2 19.9 61 67 A E G 3 S+ 0 0 75 1,-0.2 3,-0.2 2,-0.1 -43,-0.1 0.561 90.8 58.8 -64.4 -8.1 39.6 46.4 17.2 62 68 A F G < + 0 0 0 -3,-1.1 -8,-2.8 -6,-0.2 -1,-0.2 0.051 69.7 99.1-117.2 33.4 37.7 48.6 19.8 63 69 A S < + 0 0 38 -3,-0.9 -1,-0.1 -10,-0.2 -2,-0.1 0.811 59.1 89.4 -85.1 -33.9 40.3 50.2 22.1 64 70 A G - 0 0 34 -3,-0.2 -10,-0.1 1,-0.1 15,-0.1 -0.365 68.1-141.4 -69.7 145.9 40.6 53.6 20.6 65 71 A E S S+ 0 0 70 1,-0.1 14,-2.0 13,-0.1 2,-0.4 0.672 88.5 41.8 -78.7 -17.6 38.4 56.5 21.7 66 72 A I E +D 78 0A 71 12,-0.2 2,-0.3 2,-0.0 12,-0.2 -0.994 65.1 160.9-132.2 136.7 38.1 57.9 18.2 67 73 A D E -D 77 0A 36 10,-1.8 10,-2.8 -2,-0.4 2,-0.3 -0.961 14.6-159.7-147.5 164.0 37.6 56.1 14.9 68 74 A Y E -D 76 0A 98 -2,-0.3 2,-0.3 8,-0.2 8,-0.1 -0.977 21.0-116.6-146.2 156.4 36.4 57.0 11.4 69 75 A Y > - 0 0 5 6,-0.6 3,-0.6 3,-0.4 6,-0.1 -0.664 32.0-119.8 -90.3 152.1 35.0 55.4 8.3 70 76 A Q T 3 S+ 0 0 170 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.919 105.6 63.6 -55.9 -48.1 37.2 55.7 5.1 71 77 A E T 3 S- 0 0 88 2,-0.0 2,-0.3 1,-0.0 -1,-0.2 0.778 112.2 -3.0 -48.9 -40.8 34.5 57.5 3.2 72 78 A T < - 0 0 38 -3,-0.6 -3,-0.4 3,-0.1 -1,-0.0 -0.933 40.2-139.0-152.5 172.2 34.3 60.7 5.3 73 79 A N S S+ 0 0 94 -2,-0.3 -1,-0.1 -5,-0.1 -3,-0.0 0.234 92.2 82.9-114.4 4.4 35.3 62.8 8.4 74 80 A K S S+ 0 0 86 1,-0.1 -27,-2.5 -28,-0.1 2,-0.6 0.635 84.3 63.2 -83.6 -16.0 31.8 63.9 9.0 75 81 A V E S-c 47 0A 0 -29,-0.2 -6,-0.6 -6,-0.1 2,-0.5 -0.956 71.5-172.5-110.4 118.5 31.0 60.7 10.9 76 82 A R E -cD 48 68A 30 -29,-2.4 -27,-2.2 -2,-0.6 2,-0.6 -0.951 15.6-145.9-115.4 124.3 33.0 60.3 14.0 77 83 A I E -cD 49 67A 0 -10,-2.8 -10,-1.8 -2,-0.5 2,-0.5 -0.787 17.2-168.1 -88.2 119.6 33.0 57.1 16.1 78 84 A V E -cD 50 66A 1 -29,-2.4 -27,-2.9 -2,-0.6 2,-0.6 -0.950 5.2-158.2-112.4 119.7 33.4 58.0 19.8 79 85 A R E -c 51 0A 3 -14,-2.0 -27,-0.3 -2,-0.5 -29,-0.1 -0.880 5.8-163.2-102.5 117.8 34.1 55.1 22.2 80 86 A I E -c 52 0A 2 -29,-3.0 -27,-1.5 -2,-0.6 2,-0.2 -0.856 15.2-134.2-100.7 122.7 33.2 55.7 25.8 81 87 A P + 0 0 37 0, 0.0 2,-0.3 0, 0.0 22,-0.1 -0.551 43.0 138.2 -77.3 138.3 34.7 53.4 28.4 82 88 A F + 0 0 2 2,-0.5 14,-0.1 -29,-0.5 15,-0.1 -0.937 47.9 34.6-172.6 151.8 32.3 52.1 31.1 83 89 A G S S- 0 0 10 -2,-0.3 2,-0.2 13,-0.1 3,-0.1 0.828 119.4 -56.9 68.6 32.2 31.4 48.9 33.0 84 90 A G - 0 0 49 1,-0.1 -2,-0.5 12,-0.1 4,-0.1 -0.543 67.1 -79.6 97.1-166.9 35.0 47.7 33.1 85 91 A D S S+ 0 0 91 -2,-0.2 -30,-2.2 -4,-0.1 -1,-0.1 0.698 95.8 90.3-108.0 -30.8 37.4 47.1 30.2 86 92 A K S S- 0 0 152 -32,-0.2 -30,-0.1 1,-0.1 0, 0.0 -0.352 89.5 -87.3 -73.7 147.8 36.2 43.7 29.0 87 93 A F - 0 0 25 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.135 43.0-155.8 -50.0 147.0 33.6 43.2 26.3 88 94 A L - 0 0 31 -77,-0.1 -77,-0.3 -3,-0.1 5,-0.1 -0.990 15.5-126.4-132.6 124.9 30.0 43.1 27.6 89 95 A P > - 0 0 51 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.354 39.9-105.2 -61.6 156.9 27.1 41.5 25.9 90 96 A K G > S+ 0 0 27 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.833 118.4 66.7 -53.5 -35.3 24.3 44.1 25.6 91 97 A E G 3 S+ 0 0 39 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.625 98.7 53.6 -63.5 -11.3 22.3 42.4 28.4 92 98 A E G < S+ 0 0 70 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.386 86.2 82.2-104.4 2.0 25.1 43.5 30.9 93 99 A L X> + 0 0 1 -3,-1.7 3,-2.1 -4,-0.2 4,-1.2 0.753 63.4 92.0 -78.3 -25.9 25.1 47.2 30.1 94 100 A W G >4 S+ 0 0 23 -4,-0.4 3,-0.5 1,-0.3 4,-0.4 0.815 85.8 45.7 -40.5 -51.2 22.2 48.2 32.3 95 101 A P G 34 S+ 0 0 59 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.671 116.9 45.2 -74.1 -8.4 24.1 49.1 35.5 96 102 A Y G X> S+ 0 0 91 -3,-2.1 4,-2.0 -4,-0.2 3,-1.3 0.551 81.0 92.8-108.7 -8.6 26.8 51.1 33.7 97 103 A L H S+ 0 0 107 -4,-0.4 4,-1.6 2,-0.2 -1,-0.3 0.856 106.0 47.8 -67.5 -31.9 24.7 56.0 33.8 99 105 A E H <> S+ 0 0 55 -3,-1.3 4,-2.9 2,-0.2 5,-0.3 0.924 107.1 56.8 -71.1 -44.4 28.5 56.0 33.7 100 106 A Y H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.926 109.1 46.6 -50.4 -49.9 28.3 56.1 29.8 101 107 A V H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.867 110.0 51.9 -64.6 -38.5 26.2 59.2 30.0 102 108 A N H X S+ 0 0 73 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.939 111.4 47.0 -65.0 -44.9 28.5 61.0 32.6 103 109 A K H X S+ 0 0 74 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.819 110.0 55.8 -65.9 -27.9 31.5 60.3 30.4 104 110 A I H X S+ 0 0 1 -4,-1.6 4,-2.0 -5,-0.3 5,-0.3 0.927 108.0 45.9 -68.8 -45.1 29.5 61.6 27.4 105 111 A I H X S+ 0 0 28 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.856 112.5 51.9 -66.1 -32.4 28.7 64.9 29.1 106 112 A N H X S+ 0 0 83 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.862 107.0 55.3 -68.8 -36.4 32.4 65.2 30.2 107 113 A F H X S+ 0 0 31 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.961 114.1 36.0 -62.0 -55.0 33.4 64.6 26.6 108 114 A Y H X>S+ 0 0 3 -4,-2.0 5,-1.7 2,-0.2 4,-1.2 0.776 110.6 63.2 -71.7 -25.4 31.4 67.4 25.1 109 115 A R H <5S+ 0 0 150 -4,-1.6 3,-0.5 -5,-0.3 -1,-0.2 0.932 105.6 47.0 -62.8 -43.0 32.1 69.6 28.1 110 116 A E H <5S+ 0 0 148 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.830 111.4 50.3 -66.5 -33.2 35.7 69.4 27.1 111 117 A E H <5S- 0 0 61 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.645 104.2-133.1 -80.3 -13.4 34.9 70.2 23.5 112 118 A G T <5S+ 0 0 67 -4,-1.2 2,-0.2 -3,-0.5 -3,-0.2 0.899 77.0 86.4 62.5 40.6 32.9 73.2 24.5 113 119 A K < - 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0 0 15 -42,-1.6 -40,-0.3 -2,-0.2 3,-0.0 -0.959 11.4-149.0-123.0 140.6 26.1 32.2 -5.3 337 343 A N + 0 0 109 -2,-0.4 2,-0.3 -42,-0.1 3,-0.1 0.489 66.6 1.2 -94.6 -1.2 28.0 32.4 -2.0 338 344 A S S > S- 0 0 48 1,-0.1 4,-2.0 0, 0.0 5,-0.1 -0.990 74.4 -91.6-169.3 175.3 27.1 35.9 -0.9 339 345 A Q H > S+ 0 0 72 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.873 122.2 55.8 -66.5 -37.5 25.2 39.1 -1.3 340 346 A Q H > S+ 0 0 109 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.873 108.2 47.9 -62.7 -39.0 28.3 40.6 -3.1 341 347 A E H > S+ 0 0 40 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.899 111.3 50.4 -68.4 -39.3 28.2 37.7 -5.6 342 348 A L H X S+ 0 0 16 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.932 111.1 48.4 -62.1 -47.4 24.4 38.2 -6.1 343 349 A A H X S+ 0 0 4 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.898 113.9 47.1 -59.8 -42.9 24.9 41.9 -6.7 344 350 A G H X S+ 0 0 6 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.915 111.6 50.6 -65.7 -43.9 27.7 41.1 -9.2 345 351 A C H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.925 110.8 49.3 -59.2 -46.8 25.7 38.5 -10.9 346 352 A Y H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.949 113.0 45.8 -58.2 -53.8 22.7 40.9 -11.3 347 353 A A H X S+ 0 0 5 -4,-2.4 4,-1.5 -115,-0.3 -1,-0.2 0.893 114.2 48.9 -58.9 -42.0 24.9 43.7 -12.7 348 354 A Y H X S+ 0 0 17 -4,-2.6 4,-0.6 1,-0.2 3,-0.2 0.943 113.9 44.8 -64.1 -47.7 26.7 41.3 -15.1 349 355 A L H ><>S+ 0 0 3 -4,-2.8 5,-2.0 1,-0.2 3,-1.0 0.864 108.7 58.1 -65.2 -33.0 23.4 39.8 -16.4 350 356 A A H ><5S+ 0 0 8 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.863 99.6 58.3 -63.4 -33.7 21.9 43.3 -16.7 351 357 A S H 3<5S+ 0 0 65 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.708 103.7 53.9 -68.4 -17.5 24.8 44.1 -19.0 352 358 A K T <<5S- 0 0 74 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.312 126.3-101.8 -96.9 6.6 23.5 41.3 -21.1 353 359 A G T < 5 + 0 0 20 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.765 69.7 156.9 80.2 26.1 20.0 42.7 -21.3 354 360 A S < - 0 0 0 -5,-2.0 2,-0.3 -8,-0.2 -95,-0.2 -0.151 30.6-141.7 -78.9 174.0 18.6 40.3 -18.6 355 361 A V E -l 259 0E 0 -97,-2.2 -95,-2.8 22,-0.2 2,-0.4 -0.961 12.6-122.5-136.0 154.4 15.5 40.8 -16.4 356 362 A F E -lo 260 379E 2 22,-2.9 24,-3.1 -2,-0.3 2,-0.4 -0.798 25.5-164.1 -98.3 137.9 14.8 39.9 -12.7 357 363 A A E + o 0 380E 2 -97,-2.7 -95,-0.5 -2,-0.4 2,-0.3 -0.965 16.2 173.4-124.4 142.2 11.8 37.6 -11.9 358 364 A L E + o 0 381E 8 22,-1.6 24,-2.2 -2,-0.4 -88,-0.1 -0.872 2.6 173.6-147.1 107.8 10.1 37.0 -8.6 359 365 A T + 0 0 5 -90,-0.4 -86,-0.1 -2,-0.3 22,-0.1 0.107 19.7 149.1-109.0 22.1 7.0 34.8 -8.8 360 366 A S - 0 0 0 1,-0.1 24,-0.3 22,-0.1 -91,-0.2 -0.153 54.9-127.1 -51.9 145.9 6.1 34.3 -5.2 361 367 A F S S+ 0 0 87 -93,-1.5 2,-0.3 1,-0.3 -1,-0.1 0.906 95.7 0.7 -63.2 -38.0 2.3 33.9 -4.6 362 368 A Y - 0 0 135 -94,-0.5 -1,-0.3 40,-0.1 23,-0.2 -0.989 63.7-162.7-149.5 144.2 2.7 36.7 -2.1 363 369 A E B -r 385 0G 24 21,-1.5 23,-3.1 -2,-0.3 3,-0.1 -0.965 16.8-145.4-133.8 113.5 5.7 38.8 -0.9 364 370 A P - 0 0 86 0, 0.0 21,-0.1 0, 0.0 -1,-0.1 0.510 63.2 -82.8 -53.3 -8.3 5.4 40.7 2.5 365 371 A F + 0 0 78 1,-0.0 2,-0.3 24,-0.0 20,-0.0 0.616 67.4 156.4 99.2 106.9 7.5 43.5 1.1 366 372 A G - 0 0 32 -3,-0.1 4,-0.3 0, 0.0 -3,-0.0 -0.843 53.3-100.2-144.7 179.8 11.3 43.3 1.1 367 373 A L S > S+ 0 0 41 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.359 86.6 106.1 -93.2 9.9 14.1 44.8 -0.8 368 374 A A H > S+ 0 0 38 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.928 87.4 41.4 -53.6 -48.1 14.7 41.8 -3.1 369 375 A P H > S+ 0 0 2 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.899 114.1 54.7 -66.2 -37.0 13.1 43.6 -6.1 370 376 A V H > S+ 0 0 0 -4,-0.3 4,-2.9 1,-0.2 -2,-0.2 0.906 104.5 52.8 -60.9 -43.2 14.9 46.8 -5.1 371 377 A E H X S+ 0 0 33 -4,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.915 112.2 45.9 -59.2 -42.6 18.3 45.1 -5.1 372 378 A A H <>S+ 0 0 0 -4,-1.7 5,-2.6 -5,-0.2 4,-0.3 0.927 112.8 48.8 -67.5 -46.3 17.7 43.9 -8.6 373 379 A M H ><5S+ 0 0 3 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.925 110.0 52.7 -58.4 -45.4 16.4 47.3 -9.9 374 380 A A H 3<5S+ 0 0 9 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.820 105.2 55.6 -60.3 -32.5 19.4 49.0 -8.3 375 381 A S T 3<5S- 0 0 3 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.464 127.5 -99.3 -79.5 -4.2 21.7 46.5 -10.2 376 382 A G T < 5S+ 0 0 5 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.571 77.6 137.3 98.5 8.9 20.1 47.6 -13.4 377 383 A L < - 0 0 1 -5,-2.6 -1,-0.3 -6,-0.2 -22,-0.2 -0.803 53.9-128.6 -96.3 127.1 17.6 44.7 -13.9 378 384 A P - 0 0 2 0, 0.0 -22,-2.9 0, 0.0 2,-0.5 -0.421 35.1-125.5 -62.4 145.2 14.1 45.5 -15.2 379 385 A A E -o 356 0E 2 17,-0.3 19,-2.6 -24,-0.2 2,-0.6 -0.881 28.7-177.5-108.6 128.5 11.8 43.7 -12.7 380 386 A V E +op 357 398E 2 -24,-3.1 -22,-1.6 -2,-0.5 2,-0.3 -0.942 33.5 159.2-119.4 105.6 9.0 41.2 -13.5 381 387 A V E -op 358 399E 0 17,-2.8 19,-2.1 -2,-0.6 -22,-0.2 -0.880 45.5 -76.2-136.6 162.4 7.3 40.4 -10.2 382 388 A T E - p 0 400E 0 -24,-2.2 19,-0.2 -2,-0.3 6,-0.1 -0.179 33.5-140.8 -53.4 137.5 4.3 39.0 -8.4 383 389 A R S S+ 0 0 127 17,-2.4 2,-0.7 4,-0.1 -1,-0.2 0.464 78.4 90.2 -81.9 0.0 1.4 41.5 -8.3 384 390 A N S S- 0 0 57 -24,-0.3 -21,-1.5 16,-0.3 2,-0.3 -0.858 89.3 -20.6-103.3 112.4 0.6 40.5 -4.8 385 391 A G B >> S-r 363 0G 29 -2,-0.7 3,-1.4 1,-0.2 4,-1.1 -0.656 114.2 -0.8 105.9-155.8 2.3 42.3 -1.9 386 392 A G H >> S+ 0 0 4 -23,-3.1 4,-2.3 -2,-0.3 3,-0.5 0.829 121.8 60.4 -47.6 -44.4 5.4 44.4 -1.4 387 393 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.839 100.7 56.1 -56.2 -33.8 6.6 44.2 -5.1 388 394 A A H <4>S+ 0 0 22 -3,-1.4 5,-2.6 2,-0.2 6,-0.4 0.881 109.2 46.0 -64.5 -40.5 3.4 45.8 -6.3 389 395 A E H X<5S+ 0 0 91 -4,-1.1 3,-0.9 -3,-0.5 -1,-0.2 0.903 110.8 52.8 -68.2 -44.3 4.0 48.9 -4.0 390 396 A I H 3<5S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.887 116.5 38.6 -59.8 -40.7 7.7 49.1 -5.1 391 397 A L T >X>S- 0 0 0 -4,-2.2 5,-2.3 -5,-0.2 3,-1.1 0.373 109.0-127.8 -92.0 4.5 6.7 49.1 -8.8 392 398 A D G X45S- 0 0 83 -3,-0.9 3,-0.9 1,-0.3 -3,-0.2 0.916 72.7 -45.2 49.1 56.1 3.7 51.3 -8.0 393 399 A G G 34 - 0 0 31 -2,-0.3 3,-1.6 -19,-0.2 7,-0.3 -0.747 28.1-153.8 -82.8 112.3 -0.3 37.0 -11.7 402 408 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 -41,-0.1 0.734 91.6 56.7 -61.0 -21.9 1.9 34.4 -9.8 403 409 A E T 3 S+ 0 0 144 1,-0.2 -42,-0.0 -42,-0.1 -2,-0.0 0.552 97.1 69.8 -87.6 -7.3 -0.8 31.8 -10.2 404 410 A D X> - 0 0 48 -3,-1.6 4,-2.5 1,-0.1 3,-1.2 -0.842 58.0-171.0-116.3 96.0 -1.0 32.0 -14.0 405 411 A P H 3> S+ 0 0 23 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.827 91.4 55.7 -54.1 -30.4 2.1 30.7 -15.8 406 412 A E H 3> S+ 0 0 144 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.836 108.6 47.0 -71.9 -29.2 0.8 32.2 -19.1 407 413 A D H <> S+ 0 0 26 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.875 109.5 53.4 -76.8 -38.2 0.6 35.6 -17.4 408 414 A I H X S+ 0 0 1 -4,-2.5 4,-2.1 -7,-0.3 -2,-0.2 0.933 110.9 48.0 -59.2 -44.0 4.1 35.2 -16.0 409 415 A A H X S+ 0 0 2 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.889 109.2 51.9 -64.3 -41.3 5.3 34.5 -19.6 410 416 A R H X S+ 0 0 150 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.911 110.3 49.7 -61.7 -42.5 3.4 37.5 -21.0 411 417 A G H X S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.899 112.2 46.4 -62.9 -42.8 5.1 39.7 -18.4 412 418 A L H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.909 112.9 50.5 -67.0 -41.4 8.6 38.3 -19.2 413 419 A L H X S+ 0 0 24 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.873 107.8 54.9 -64.7 -34.0 7.8 38.7 -22.9 414 420 A K H >< S+ 0 0 96 -4,-2.3 3,-1.2 1,-0.2 4,-0.3 0.950 105.5 50.2 -63.8 -48.2 6.8 42.3 -22.2 415 421 A A H 3< S+ 0 0 0 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.834 117.9 41.4 -59.3 -31.2 10.0 43.2 -20.5 416 422 A F H 3< S+ 0 0 20 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.430 82.5 106.1 -94.5 -3.4 11.9 41.7 -23.5 417 423 A E S << S- 0 0 106 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 0.786 91.5 -15.1 -50.9 -35.4 9.6 43.1 -26.3 418 424 A S > - 0 0 49 -4,-0.3 4,-2.9 -3,-0.3 5,-0.3 -0.988 60.9-106.5-165.1 162.8 12.1 45.8 -27.4 419 425 A E H > S+ 0 0 142 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.880 120.5 51.8 -60.9 -38.6 15.3 47.6 -26.6 420 426 A E H > S+ 0 0 150 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.933 112.8 42.9 -65.6 -45.2 13.2 50.7 -25.9 421 427 A T H > S+ 0 0 25 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.953 117.0 45.9 -66.7 -50.6 10.8 48.9 -23.5 422 428 A W H X S+ 0 0 31 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.914 115.8 46.6 -57.6 -45.1 13.5 47.0 -21.7 423 429 A S H X S+ 0 0 34 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.861 108.6 56.0 -67.4 -35.2 15.7 50.2 -21.4 424 430 A A H X S+ 0 0 33 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.937 108.4 47.6 -61.3 -47.5 12.7 52.2 -20.3 425 431 A Y H X S+ 0 0 22 -4,-2.4 4,-3.4 2,-0.2 5,-0.2 0.908 110.3 52.1 -62.6 -44.1 12.1 49.8 -17.4 426 432 A Q H X S+ 0 0 56 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.959 113.5 43.9 -51.1 -54.6 15.8 49.8 -16.4 427 433 A E H X S+ 0 0 123 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.944 116.7 46.0 -61.7 -48.1 15.9 53.6 -16.2 428 434 A K H X S+ 0 0 72 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.902 113.9 50.5 -57.9 -43.5 12.5 53.7 -14.4 429 435 A G H X S+ 0 0 2 -4,-3.4 4,-1.9 -5,-0.2 -2,-0.2 0.933 112.1 44.7 -60.4 -50.2 13.7 51.0 -12.0 430 436 A K H X S+ 0 0 63 -4,-3.1 4,-2.4 -5,-0.2 5,-0.2 0.927 114.3 51.2 -60.9 -43.4 17.0 52.7 -11.2 431 437 A Q H X S+ 0 0 85 -4,-2.9 4,-2.7 -5,-0.2 -2,-0.2 0.912 106.9 53.1 -60.4 -44.9 15.1 56.0 -10.8 432 438 A R H X S+ 0 0 24 -4,-2.8 4,-1.6 2,-0.2 5,-0.5 0.890 111.1 46.3 -58.0 -44.5 12.5 54.5 -8.4 433 439 A V H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 5,-0.5 0.970 113.4 48.1 -62.3 -53.7 15.3 53.1 -6.1 434 440 A E H < S+ 0 0 129 -4,-2.4 4,-0.2 1,-0.2 -2,-0.2 0.882 112.4 51.1 -55.7 -39.7 17.2 56.3 -6.1 435 441 A E H < S- 0 0 113 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.816 133.7 -5.3 -71.9 -30.4 14.1 58.3 -5.3 436 442 A R H < S+ 0 0 102 -4,-1.6 -3,-0.2 -3,-0.4 -2,-0.2 0.638 117.7 61.1-142.2 -13.8 12.8 56.3 -2.4 437 443 A Y S < S+ 0 0 15 -4,-2.3 -213,-3.2 -5,-0.5 2,-0.2 0.212 76.9 95.4-111.0 19.9 14.6 53.1 -1.4 438 444 A T B >> S-j 224 0D 15 -5,-0.5 4,-1.4 -215,-0.3 3,-0.8 -0.615 83.1-109.7-104.5 167.2 18.1 54.2 -0.4 439 445 A W H 3> S+ 0 0 23 -215,-0.5 4,-2.8 1,-0.3 5,-0.2 0.746 116.5 68.6 -65.0 -21.7 19.7 55.0 2.9 440 446 A Q H 3> S+ 0 0 63 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.918 99.0 49.2 -63.6 -39.6 19.8 58.6 1.7 441 447 A E H <> S+ 0 0 71 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.901 110.1 51.2 -65.7 -37.3 16.0 58.6 1.9 442 448 A T H X S+ 0 0 3 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.946 111.7 46.7 -63.7 -45.4 16.2 57.2 5.4 443 449 A A H X S+ 0 0 0 -4,-2.8 4,-3.3 1,-0.2 -2,-0.2 0.907 108.6 55.8 -62.7 -41.6 18.7 59.9 6.5 444 450 A R H X S+ 0 0 100 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.908 108.9 47.4 -57.8 -40.4 16.5 62.5 4.8 445 451 A G H X S+ 0 0 21 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.915 111.6 50.2 -66.3 -42.6 13.6 61.3 7.0 446 452 A Y H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.915 107.4 54.6 -60.3 -43.8 15.9 61.4 10.1 447 453 A L H X S+ 0 0 27 -4,-3.3 4,-3.0 1,-0.2 5,-0.2 0.914 106.9 50.7 -59.2 -42.4 17.0 64.9 9.3 448 454 A E H X S+ 0 0 121 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.930 113.1 44.3 -61.4 -46.6 13.4 66.2 9.2 449 455 A V H X S+ 0 0 8 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.937 114.8 49.9 -62.6 -46.7 12.5 64.6 12.5 450 456 A I H X S+ 0 0 2 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.936 111.5 47.3 -56.8 -49.6 15.7 65.9 14.1 451 457 A Q H X S+ 0 0 49 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.885 113.0 52.9 -60.8 -37.5 15.1 69.4 12.8 452 458 A E H X S+ 0 0 76 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.917 109.1 43.9 -66.3 -48.6 11.6 69.2 14.1 453 459 A I H < S+ 0 0 9 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.711 111.0 57.1 -73.8 -15.7 12.3 68.2 17.7 454 460 A A H < S+ 0 0 43 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.920 110.6 43.4 -75.3 -43.3 15.1 70.8 17.8 455 461 A D H < 0 0 126 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.1 0.824 360.0 360.0 -69.2 -35.0 12.5 73.5 16.9 456 462 A R < 0 0 112 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.595 360.0 360.0 -94.8 360.0 9.9 72.2 19.3