==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-JUN-01 1JG7 . COMPND 2 MOLECULE: DNA BETA-GLUCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR S.MORERA,L.LARIVIERE,J.KURZECK,U.ASCHKE-SONNENBORN, . 351 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16193.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.3 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 . 30 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 3 1 1 1 1 0 0 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 4 3 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 112 0, 0.0 35,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 117.8 26.2 23.6 34.5 2 2 A K - 0 0 49 33,-0.1 58,-2.7 56,-0.0 59,-1.2 -0.991 360.0-160.5-129.5 125.2 26.2 20.6 32.2 3 3 A I E -ab 37 61A 0 33,-2.7 35,-2.2 -2,-0.4 2,-0.4 -0.848 3.5-161.8-110.5 141.0 23.3 19.8 29.8 4 4 A A E -ab 38 62A 0 57,-2.4 59,-3.3 -2,-0.4 2,-0.4 -0.966 6.4-173.3-120.0 134.2 22.4 16.6 28.1 5 5 A I E +ab 39 63A 0 33,-2.3 35,-2.0 -2,-0.4 2,-0.3 -0.990 9.2 169.8-127.8 136.3 20.1 16.3 25.1 6 6 A I E - b 0 64A 0 57,-2.1 59,-2.9 -2,-0.4 2,-0.5 -0.935 34.7-121.5-139.7 161.3 18.9 13.0 23.6 7 7 A N E - b 0 65A 6 33,-0.4 3,-0.2 -2,-0.3 59,-0.1 -0.929 24.1-141.6-103.7 128.8 16.3 11.9 21.0 8 8 A M S S+ 0 0 0 57,-2.1 76,-0.2 -2,-0.5 75,-0.2 0.670 87.8 8.3 -68.3 -16.4 13.9 9.5 22.7 9 9 A G S S+ 0 0 4 56,-0.2 2,-0.3 57,-0.2 71,-0.3 0.342 110.5 70.0-150.8 17.0 13.5 7.2 19.7 10 10 A N S S- 0 0 58 69,-0.3 -3,-0.3 -3,-0.2 -1,-0.1 -0.998 73.7-113.1-140.4 142.2 15.8 7.8 16.8 11 11 A N - 0 0 60 -2,-0.3 2,-0.5 30,-0.1 9,-0.1 -0.402 29.5-142.8 -69.2 147.2 19.6 7.3 16.4 12 12 A V + 0 0 3 1,-0.1 31,-0.3 31,-0.1 35,-0.1 -0.967 48.9 119.9-118.8 121.4 21.5 10.6 16.0 13 13 A I - 0 0 97 -2,-0.5 34,-0.3 1,-0.5 2,-0.2 0.474 70.0 -21.3-139.8 -60.8 24.4 10.7 13.6 14 14 A N S S- 0 0 55 32,-0.1 -1,-0.5 33,-0.0 3,-0.4 -0.611 74.3 -75.6-141.9-160.3 24.2 13.2 10.7 15 15 A F S S+ 0 0 34 -2,-0.2 225,-0.9 1,-0.2 226,-0.3 0.265 95.6 97.3 -95.6 14.9 21.7 15.3 8.6 16 16 A K S S+ 0 0 147 223,-0.2 2,-0.3 224,-0.1 -1,-0.2 0.844 84.1 45.3 -71.2 -33.1 20.4 12.4 6.5 17 17 A T S > S- 0 0 55 -3,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.852 79.8-129.2-113.6 150.4 17.4 11.8 8.7 18 18 A V H > S+ 0 0 72 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.919 106.6 49.3 -62.7 -47.1 14.9 14.4 10.0 19 19 A P H > S+ 0 0 26 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.906 114.2 46.4 -61.8 -38.4 15.0 13.3 13.7 20 20 A S H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.943 113.5 49.7 -66.2 -47.3 18.8 13.2 13.7 21 21 A S H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.922 109.3 49.9 -57.3 -49.0 19.0 16.6 12.0 22 22 A E H X S+ 0 0 27 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.881 110.2 51.6 -60.9 -36.4 16.6 18.3 14.4 23 23 A T H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.2 0.913 111.4 46.6 -66.8 -41.2 18.5 16.9 17.4 24 24 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.892 110.7 52.2 -68.7 -38.3 21.8 18.3 16.1 25 25 A Y H X S+ 0 0 24 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.913 111.1 47.9 -62.6 -42.6 20.2 21.7 15.3 26 26 A L H X S+ 0 0 9 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.905 110.5 51.4 -64.5 -41.2 18.9 21.9 18.8 27 27 A F H X S+ 0 0 38 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.931 112.9 46.9 -59.7 -45.8 22.3 20.9 20.2 28 28 A K H X S+ 0 0 71 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.902 110.9 48.9 -64.9 -43.8 23.9 23.6 18.1 29 29 A V H X S+ 0 0 4 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.844 112.7 49.0 -68.5 -30.6 21.5 26.4 19.0 30 30 A I H >< S+ 0 0 1 -4,-2.0 3,-0.7 -5,-0.2 -1,-0.2 0.882 110.8 49.9 -73.9 -38.0 21.8 25.6 22.7 31 31 A S H >X S+ 0 0 46 -4,-2.0 3,-1.0 1,-0.2 4,-0.7 0.852 107.8 55.9 -67.0 -33.5 25.6 25.6 22.5 32 32 A E H 3< S+ 0 0 60 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.631 98.4 61.1 -75.3 -13.9 25.4 28.9 20.7 33 33 A M T << S- 0 0 9 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.1 0.058 129.0 -84.0-101.5 27.1 23.5 30.5 23.5 34 34 A G T <4 S+ 0 0 57 -3,-1.0 2,-0.3 1,-0.2 -2,-0.2 0.974 84.7 124.9 76.0 60.4 26.3 30.0 26.1 35 35 A L < - 0 0 35 -4,-0.7 2,-0.9 -5,-0.2 -1,-0.2 -0.988 59.4-126.3-153.4 140.2 25.9 26.5 27.4 36 36 A N + 0 0 94 -35,-0.5 -33,-2.7 -2,-0.3 2,-0.4 -0.751 47.9 164.9 -83.8 107.1 28.0 23.3 27.8 37 37 A V E -a 3 0A 6 -2,-0.9 2,-0.3 -35,-0.2 -33,-0.2 -0.967 22.7-166.1-131.7 145.4 25.8 20.6 26.1 38 38 A D E -a 4 0A 24 -35,-2.2 -33,-2.3 -2,-0.4 2,-0.5 -0.956 17.9-136.5-126.3 146.3 26.3 17.1 24.9 39 39 A I E -ac 5 48A 1 8,-0.5 10,-2.5 -2,-0.3 2,-0.5 -0.885 20.9-157.2 -98.0 132.1 24.2 14.9 22.6 40 40 A I E + c 0 49A 1 -35,-2.0 -33,-0.4 -2,-0.5 10,-0.2 -0.961 28.6 143.4-112.9 127.0 24.0 11.4 24.0 41 41 A S E - c 0 50A 6 8,-3.0 10,-1.9 -2,-0.5 -30,-0.1 -0.669 63.2 -65.4-142.0-163.5 23.1 8.7 21.5 42 42 A L S S+ 0 0 44 8,-0.2 10,-0.3 -2,-0.2 2,-0.3 0.873 110.3 12.6 -62.9 -40.6 23.9 5.0 20.6 43 43 A K S S- 0 0 165 -31,-0.3 -2,-0.2 6,-0.2 2,-0.2 -0.885 85.0 -91.9-135.9 166.0 27.5 5.6 19.7 44 44 A N + 0 0 103 -2,-0.3 2,-0.3 -4,-0.1 5,-0.2 -0.530 60.3 148.0 -73.5 143.9 30.3 8.2 19.9 45 45 A G - 0 0 36 3,-2.5 3,-0.3 -2,-0.2 -32,-0.1 -0.920 62.0 -65.0-160.6-175.0 30.3 10.3 16.8 46 46 A V S S+ 0 0 129 -2,-0.3 -32,-0.1 1,-0.2 -33,-0.1 0.869 134.6 16.6 -49.5 -41.8 31.0 13.8 15.3 47 47 A Y S S+ 0 0 66 -34,-0.3 -8,-0.5 -35,-0.1 2,-0.3 0.363 120.7 67.1-115.7 4.5 28.2 15.3 17.3 48 48 A T E -c 39 0A 10 -3,-0.3 -3,-2.5 -10,-0.1 2,-0.3 -0.886 53.1-149.8-136.6 161.8 27.6 12.6 20.0 49 49 A K E -c 40 0A 73 -10,-2.5 -8,-3.0 -2,-0.3 2,-0.3 -0.807 40.3-105.8-114.5 157.8 28.7 10.7 23.0 50 50 A S E >> -c 41 0A 20 -2,-0.3 3,-1.7 -10,-0.2 4,-0.7 -0.629 14.0-127.9 -90.7 146.3 27.5 7.1 23.7 51 51 A F G >4 S+ 0 0 19 -10,-1.9 3,-0.6 1,-0.3 5,-0.1 0.867 111.5 51.9 -55.5 -38.1 24.9 6.1 26.3 52 52 A D G 34 S+ 0 0 152 -10,-0.3 -1,-0.3 1,-0.2 -10,-0.1 0.452 104.9 54.7 -82.0 -0.1 27.4 3.6 27.6 53 53 A E G <4 S+ 0 0 98 -3,-1.7 2,-0.3 2,-0.0 -1,-0.2 0.502 104.1 57.8-108.7 -7.0 30.3 6.0 28.0 54 54 A V S << S- 0 0 32 -4,-0.7 2,-0.6 -3,-0.6 3,-0.1 -0.839 72.1-129.1-124.6 162.1 28.6 8.6 30.2 55 55 A D > - 0 0 86 -2,-0.3 3,-2.5 1,-0.1 4,-0.3 -0.947 17.8-146.4-107.8 116.0 26.9 8.8 33.6 56 56 A V G > S+ 0 0 4 -2,-0.6 3,-1.4 1,-0.3 -1,-0.1 0.786 96.6 63.6 -54.4 -27.9 23.5 10.5 33.1 57 57 A N G 3 S+ 0 0 57 1,-0.3 -1,-0.3 33,-0.1 33,-0.0 0.414 81.0 78.4 -80.5 5.5 23.9 12.0 36.6 58 58 A D G < S+ 0 0 111 -3,-2.5 2,-0.3 2,-0.0 -1,-0.3 0.583 86.9 80.1 -83.1 -10.3 26.9 14.0 35.5 59 59 A Y < - 0 0 14 -3,-1.4 -56,-0.2 -4,-0.3 3,-0.1 -0.738 64.3-159.2-101.2 146.6 24.3 16.3 33.9 60 60 A D S S+ 0 0 75 -58,-2.7 2,-0.4 -2,-0.3 -57,-0.2 0.644 83.4 32.5 -94.1 -20.5 22.3 19.0 35.7 61 61 A R E -b 3 0A 51 -59,-1.2 -57,-2.4 31,-0.1 2,-0.5 -0.999 65.0-158.7-139.4 138.8 19.6 19.1 33.0 62 62 A L E -bd 4 94A 0 31,-0.7 33,-2.8 -2,-0.4 2,-0.4 -0.964 10.6-170.9-122.2 113.1 18.2 16.4 30.7 63 63 A I E -bd 5 95A 0 -59,-3.3 -57,-2.1 -2,-0.5 2,-0.5 -0.887 3.6-163.7-106.0 132.8 16.4 17.5 27.6 64 64 A V E -bd 6 96A 0 31,-3.2 33,-2.8 -2,-0.4 2,-0.4 -0.964 12.6-142.7-123.0 122.8 14.5 15.0 25.4 65 65 A V E -bd 7 97A 1 -59,-2.9 -57,-2.1 -2,-0.5 -56,-0.2 -0.676 36.9-107.1 -81.1 128.4 13.4 15.5 21.8 66 66 A N + 0 0 2 31,-1.9 2,-0.3 -2,-0.4 -57,-0.2 -0.119 50.0 158.1 -57.2 150.4 10.0 13.9 21.2 67 67 A S - 0 0 6 36,-0.3 2,-0.2 -59,-0.1 -57,-0.0 -0.973 43.6 -92.2-164.3 162.4 9.8 10.8 19.2 68 68 A S - 0 0 38 -2,-0.3 35,-0.1 1,-0.1 37,-0.0 -0.508 23.1-160.5 -78.5 152.5 7.5 7.8 18.6 69 69 A I + 0 0 5 -2,-0.2 2,-0.3 38,-0.1 -1,-0.1 -0.010 42.8 135.5-122.7 27.1 8.2 4.7 20.8 70 70 A N - 0 0 88 1,-0.1 2,-1.0 41,-0.0 -2,-0.1 -0.604 51.4-138.1 -79.9 133.9 6.4 2.2 18.5 71 71 A F - 0 0 29 -2,-0.3 2,-0.2 9,-0.0 -1,-0.1 -0.792 21.7-163.1 -96.0 98.5 8.3 -1.0 17.9 72 72 A F > - 0 0 167 -2,-1.0 3,-0.7 2,-0.1 5,-0.0 -0.493 57.9 -0.0 -79.1 150.4 7.8 -1.8 14.2 73 73 A G T 3 S- 0 0 69 1,-0.2 2,-0.2 -2,-0.2 -2,-0.0 -0.178 109.7 -61.8 64.4-166.0 8.5 -5.4 13.1 74 74 A G T 3 S+ 0 0 57 2,-0.1 -1,-0.2 41,-0.0 -2,-0.1 -0.420 98.4 99.2-115.0 58.2 9.6 -7.9 15.7 75 75 A K S < S- 0 0 162 -3,-0.7 2,-0.6 -2,-0.2 -3,-0.0 -0.989 75.9-103.0-143.3 150.5 12.9 -6.4 16.9 76 76 A P - 0 0 44 0, 0.0 2,-1.0 0, 0.0 3,-0.1 -0.602 31.5-144.0 -73.5 114.3 14.2 -4.4 19.9 77 77 A N >> - 0 0 61 -2,-0.6 4,-2.4 1,-0.2 3,-0.6 -0.709 11.1-164.9 -81.3 104.1 14.7 -0.8 18.7 78 78 A L H 3> S+ 0 0 93 -2,-1.0 4,-2.6 1,-0.2 5,-0.4 0.780 83.4 64.1 -62.5 -28.1 17.8 0.2 20.6 79 79 A A H 3> S+ 0 0 10 -70,-0.2 4,-0.9 2,-0.2 -69,-0.3 0.907 112.0 36.3 -63.0 -39.0 17.3 3.9 19.9 80 80 A I H <> S+ 0 0 2 -3,-0.6 4,-2.2 -71,-0.3 -2,-0.2 0.944 120.5 45.7 -76.5 -50.8 14.1 3.7 21.9 81 81 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.900 113.4 47.6 -61.7 -45.0 15.2 1.3 24.6 82 82 A S H X S+ 0 0 25 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.877 112.1 50.9 -66.6 -36.6 18.6 2.9 25.4 83 83 A A H X S+ 0 0 0 -4,-0.9 4,-2.5 -5,-0.4 -2,-0.2 0.916 112.0 45.5 -67.6 -42.8 17.0 6.3 25.6 84 84 A Q H X S+ 0 0 0 -4,-2.2 4,-2.4 -76,-0.2 -1,-0.2 0.847 111.7 52.3 -71.3 -30.0 14.3 5.3 28.0 85 85 A K H X S+ 0 0 61 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.901 110.9 48.5 -68.0 -39.9 16.9 3.3 30.1 86 86 A F H X S+ 0 0 10 -4,-2.0 4,-0.8 1,-0.2 3,-0.4 0.922 113.0 47.2 -64.1 -45.7 19.0 6.5 30.2 87 87 A M H >< S+ 0 0 0 -4,-2.5 3,-0.7 1,-0.2 43,-0.2 0.877 107.1 57.3 -63.7 -39.7 16.0 8.5 31.2 88 88 A A H 3< S+ 0 0 19 -4,-2.4 41,-0.3 37,-0.3 -1,-0.2 0.790 105.6 50.8 -63.5 -29.1 14.9 6.0 33.9 89 89 A K H 3< S+ 0 0 132 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.668 87.6 102.6 -82.4 -19.0 18.3 6.4 35.6 90 90 A Y << - 0 0 5 -4,-0.8 40,-0.2 -3,-0.7 39,-0.2 -0.449 55.3-162.3 -68.8 136.8 18.1 10.2 35.7 91 91 A K + 0 0 155 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.836 63.3 62.6 -88.6 -37.6 17.2 11.6 39.1 92 92 A S S S- 0 0 61 1,-0.2 2,-0.1 38,-0.1 -31,-0.1 -0.070 98.1 -60.8 -84.1-175.7 16.1 15.1 38.3 93 93 A K - 0 0 40 37,-0.1 -31,-0.7 39,-0.1 2,-0.5 -0.359 47.4-138.1 -67.8 141.9 13.3 16.6 36.2 94 94 A I E -de 62 132A 0 37,-2.5 39,-2.7 -33,-0.1 2,-0.7 -0.890 5.3-145.0-106.8 131.6 13.2 15.8 32.5 95 95 A Y E -de 63 133A 9 -33,-2.8 -31,-3.2 -2,-0.5 2,-0.6 -0.859 15.0-160.7 -98.8 113.1 12.4 18.5 29.9 96 96 A Y E -de 64 134A 0 37,-2.4 39,-2.9 -2,-0.7 2,-0.8 -0.849 9.4-145.0 -99.9 115.4 10.4 17.1 27.0 97 97 A L E -de 65 135A 0 -33,-2.8 -31,-1.9 -2,-0.6 2,-0.9 -0.695 14.3-164.2 -82.0 110.7 10.4 19.1 23.8 98 98 A F E + e 0 136A 0 37,-3.0 39,-2.0 -2,-0.8 40,-0.3 -0.809 32.8 142.2-100.9 95.0 7.0 18.6 22.2 99 99 A T + 0 0 11 -2,-0.9 2,-0.4 1,-0.2 -1,-0.2 0.527 64.1 51.7-108.4 -12.5 7.2 19.8 18.6 100 100 A D > - 0 0 28 -3,-0.2 3,-2.3 3,-0.2 -1,-0.2 -0.981 69.7-146.9-131.8 118.5 4.9 17.1 17.0 101 101 A I T 3 S+ 0 0 23 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.678 98.4 60.4 -56.7 -20.9 1.4 16.5 18.3 102 102 A R T 3 S+ 0 0 101 1,-0.2 -1,-0.3 -3,-0.0 -35,-0.0 0.555 97.1 63.5 -85.2 -6.4 1.6 12.8 17.4 103 103 A L < + 0 0 27 -3,-2.3 -36,-0.3 -35,-0.1 -1,-0.2 -0.378 64.0 160.1-117.3 55.9 4.6 12.3 19.6 104 104 A P - 0 0 32 0, 0.0 -37,-0.1 0, 0.0 44,-0.1 -0.336 52.2 -87.8 -72.0 158.7 3.6 12.9 23.3 105 105 A F + 0 0 2 -9,-0.1 2,-0.3 -39,-0.1 49,-0.1 -0.380 59.7 159.1 -64.7 144.4 5.8 11.4 26.0 106 106 A S - 0 0 41 -3,-0.1 2,-0.3 -2,-0.0 45,-0.1 -0.977 41.9 -98.5-162.6 156.4 4.8 7.8 27.0 107 107 A Q - 0 0 33 -2,-0.3 4,-0.3 1,-0.1 20,-0.1 -0.598 17.4-155.9 -82.2 140.5 6.3 4.8 28.7 108 108 A S S >> S+ 0 0 0 18,-0.3 4,-2.6 -2,-0.3 3,-1.2 0.723 80.6 82.1 -86.4 -22.0 7.7 2.0 26.5 109 109 A W H 3> S+ 0 0 42 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.888 81.5 60.7 -49.9 -49.6 7.3 -0.6 29.3 110 110 A P H 34 S+ 0 0 65 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 0.838 115.6 36.1 -48.6 -35.2 3.5 -1.2 28.6 111 111 A N H X4 S+ 0 0 73 -3,-1.2 3,-1.6 -4,-0.3 -2,-0.2 0.931 114.9 53.1 -83.0 -52.9 4.5 -2.3 25.1 112 112 A V H >< S+ 0 0 0 -4,-2.6 3,-2.7 1,-0.3 -3,-0.2 0.881 97.3 66.3 -49.8 -48.0 7.8 -4.1 25.8 113 113 A K T 3< S+ 0 0 101 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.1 0.739 104.8 45.1 -49.3 -27.9 6.3 -6.3 28.5 114 114 A N T < S+ 0 0 102 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.282 91.5 103.6-102.9 10.6 4.2 -8.1 25.8 115 115 A R S X S- 0 0 104 -3,-2.7 3,-1.7 -4,-0.2 4,-0.2 -0.543 80.9-118.2 -89.1 157.5 7.0 -8.5 23.2 116 116 A P T 3 S+ 0 0 96 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.834 116.9 52.3 -63.6 -27.5 8.7 -11.8 22.5 117 117 A W T > S+ 0 0 15 1,-0.2 3,-1.9 2,-0.1 4,-0.2 0.131 72.4 116.7 -93.7 20.0 12.0 -10.2 23.6 118 118 A A G X + 0 0 21 -3,-1.7 3,-1.9 1,-0.3 -1,-0.2 0.795 60.6 73.1 -57.9 -30.0 10.5 -8.9 26.9 119 119 A Y G 3 S+ 0 0 189 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.653 85.7 67.4 -61.7 -13.8 13.0 -11.1 28.9 120 120 A L G < S+ 0 0 89 -3,-1.9 2,-0.4 1,-0.1 -1,-0.3 0.655 102.8 45.9 -81.1 -15.9 15.8 -8.7 27.9 121 121 A Y < - 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0 0 37 -4,-1.8 4,-2.1 1,-0.1 -1,-0.2 -0.889 50.5-179.8-125.6 105.7 3.5 39.6 -12.1 317 317 A D H > S+ 0 0 75 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.806 90.2 59.9 -66.4 -29.1 7.2 39.4 -11.2 318 318 A V H > S+ 0 0 115 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.917 106.3 44.6 -64.8 -45.0 6.7 42.7 -9.4 319 319 A L H > S+ 0 0 27 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.930 112.3 52.7 -65.0 -45.5 4.1 41.3 -7.1 320 320 A R H X S+ 0 0 31 -4,-2.1 4,-2.2 -7,-0.3 -2,-0.2 0.927 112.4 44.2 -56.1 -47.7 6.1 38.2 -6.4 321 321 A K H X S+ 0 0 118 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.841 111.4 54.7 -68.1 -32.1 9.1 40.2 -5.5 322 322 A E H X S+ 0 0 84 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.939 110.4 45.2 -65.7 -46.8 7.0 42.6 -3.4 323 323 A M H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.885 111.8 52.0 -65.4 -37.3 5.6 39.7 -1.4 324 324 A L H X S+ 0 0 10 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.903 108.4 52.0 -64.7 -39.2 9.0 38.1 -0.9 325 325 A S H X S+ 0 0 79 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.891 110.8 48.4 -63.1 -39.7 10.3 41.4 0.4 326 326 A I H X S+ 0 0 56 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.925 112.1 46.4 -67.2 -47.6 7.5 41.6 2.9 327 327 A Q H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.874 112.3 51.3 -67.0 -34.0 7.9 38.1 4.2 328 328 A H H X S+ 0 0 30 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.880 109.2 51.2 -69.2 -35.1 11.7 38.5 4.5 329 329 A D H X S+ 0 0 77 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.900 109.3 50.2 -66.1 -41.0 11.2 41.7 6.5 330 330 A I H X S+ 0 0 42 -4,-2.2 4,-1.1 1,-0.2 3,-0.2 0.899 108.3 52.6 -64.5 -39.9 8.8 40.0 8.8 331 331 A L H >X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 3,-0.7 0.923 106.2 54.4 -61.6 -42.1 11.3 37.2 9.4 332 332 A N H 3X S+ 0 0 65 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.817 100.6 60.0 -61.5 -31.9 13.9 39.8 10.2 333 333 A K H 3< S+ 0 0 119 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.839 108.2 44.4 -66.4 -32.1 11.6 41.3 12.9 334 334 A T H X< S+ 0 0 18 -4,-1.1 3,-1.5 -3,-0.7 -2,-0.2 0.839 108.9 56.3 -80.0 -33.5 11.6 37.9 14.7 335 335 A R H >< S+ 0 0 92 -4,-1.9 3,-1.5 1,-0.3 -2,-0.2 0.824 97.2 65.0 -65.7 -28.6 15.4 37.5 14.3 336 336 A A T 3< S+ 0 0 90 -4,-1.6 -1,-0.3 1,-0.3 3,-0.2 0.608 96.1 58.5 -69.2 -10.2 15.8 40.8 16.0 337 337 A K T <> + 0 0 101 -3,-1.5 4,-2.2 1,-0.2 -1,-0.3 0.087 68.5 120.3-105.6 21.9 14.4 39.2 19.2 338 338 A K H <> S+ 0 0 55 -3,-1.5 4,-2.8 1,-0.2 5,-0.2 0.892 72.1 51.8 -51.8 -49.7 17.0 36.5 19.4 339 339 A A H > S+ 0 0 56 -3,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.889 110.8 48.3 -57.6 -41.3 18.3 37.5 22.8 340 340 A E H > S+ 0 0 132 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.890 111.5 50.7 -66.1 -39.8 14.7 37.4 24.2 341 341 A W H X S+ 0 0 14 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.927 111.1 47.9 -62.9 -47.1 14.1 34.0 22.6 342 342 A Q H X S+ 0 0 35 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.920 112.3 48.8 -61.0 -45.9 17.4 32.6 24.1 343 343 A D H X S+ 0 0 97 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.869 109.4 53.5 -63.5 -35.8 16.5 33.9 27.6 344 344 A A H X S+ 0 0 41 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.869 107.7 50.8 -66.8 -36.4 13.0 32.5 27.3 345 345 A F H X S+ 0 0 7 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.931 108.6 50.9 -67.1 -43.8 14.5 29.0 26.5 346 346 A K H <>S+ 0 0 61 -4,-2.2 5,-3.1 1,-0.2 -1,-0.2 0.878 109.9 50.9 -60.1 -37.3 16.8 29.2 29.5 347 347 A K H ><5S+ 0 0 145 -4,-1.9 3,-1.4 3,-0.2 -1,-0.2 0.862 105.2 57.7 -67.7 -35.0 13.8 30.1 31.7 348 348 A A H 3<5S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.839 107.6 45.4 -64.8 -35.4 11.9 27.1 30.2 349 349 A I T 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 0.001 124.2-104.9 -98.4 29.5 14.6 24.7 31.4 350 350 A D T < 5 0 0 62 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.823 360.0 360.0 52.8 44.1 14.7 26.4 34.8 351 351 A L < 0 0 77 -5,-3.1 -1,-0.2 -8,-0.1 -2,-0.0 -0.607 360.0 360.0-108.0 360.0 18.0 28.3 34.3