==== 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 1JG6 . 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) . 16034.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 67.5 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 . 51 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 3 1 0 2 1 0 0 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 4 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 0 114 0, 0.0 35,-0.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 106.8 30.3 -17.3 16.0 2 2 A K E -a 36 0A 49 56,-0.1 58,-2.8 33,-0.1 59,-1.2 -0.963 360.0-160.2-117.5 129.9 27.0 -17.4 17.8 3 3 A I E -ab 37 61A 0 33,-2.8 35,-2.3 -2,-0.5 2,-0.4 -0.880 4.6-159.6-113.8 142.4 24.6 -14.4 17.7 4 4 A A E -ab 38 62A 0 57,-2.6 59,-3.4 -2,-0.4 2,-0.4 -0.966 8.4-173.7-118.8 133.0 21.7 -13.5 20.0 5 5 A I E +ab 39 63A 0 33,-2.5 35,-2.2 -2,-0.4 2,-0.3 -0.989 9.5 169.0-127.2 137.1 18.9 -11.1 18.9 6 6 A I E - b 0 64A 0 57,-2.2 59,-3.1 -2,-0.4 2,-0.5 -0.936 35.6-120.9-140.9 162.4 16.2 -9.9 21.2 7 7 A N E - b 0 65A 7 33,-0.4 3,-0.2 -2,-0.3 59,-0.1 -0.934 24.3-142.4-104.2 128.9 13.5 -7.3 21.2 8 8 A M S S+ 0 0 0 57,-2.2 76,-0.2 -2,-0.5 75,-0.2 0.647 88.7 9.9 -69.7 -15.4 14.0 -4.9 24.1 9 9 A G S S+ 0 0 6 56,-0.2 71,-0.4 57,-0.2 2,-0.4 0.334 110.4 72.1-149.9 16.3 10.4 -4.4 25.0 10 10 A N S S- 0 0 61 69,-0.3 -3,-0.3 -3,-0.2 -1,-0.1 -0.999 73.1-115.4-139.3 139.5 8.0 -6.8 23.2 11 11 A N - 0 0 61 -2,-0.4 2,-0.5 30,-0.1 9,-0.1 -0.401 30.1-142.7 -67.5 144.9 7.4 -10.5 23.5 12 12 A V + 0 0 2 1,-0.1 31,-0.3 31,-0.1 35,-0.1 -0.964 48.4 121.3-116.6 122.3 8.3 -12.5 20.4 13 13 A I - 0 0 97 -2,-0.5 34,-0.4 1,-0.5 2,-0.2 0.461 69.5 -27.8-138.0 -65.8 6.2 -15.4 19.2 14 14 A N S > S- 0 0 56 32,-0.1 3,-0.5 33,-0.1 -1,-0.5 -0.559 74.4 -70.5-140.7-156.1 4.7 -15.1 15.7 15 15 A F T 3 S+ 0 0 28 1,-0.2 225,-0.8 -2,-0.2 226,-0.3 0.216 96.4 97.7 -96.6 16.9 3.6 -12.7 13.0 16 16 A K T 3 S+ 0 0 131 223,-0.2 2,-0.4 224,-0.1 -1,-0.2 0.718 86.1 44.6 -74.8 -22.5 0.4 -11.5 14.9 17 17 A T S <> S- 0 0 52 -3,-0.5 4,-2.6 1,-0.1 5,-0.1 -0.941 78.6-131.9-124.2 148.3 2.3 -8.4 16.2 18 18 A V H > S+ 0 0 87 -2,-0.4 4,-3.0 2,-0.2 5,-0.3 0.938 106.2 49.3 -63.4 -50.2 4.6 -6.0 14.3 19 19 A P H > S+ 0 0 41 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.893 114.7 46.5 -59.2 -36.0 7.4 -6.0 16.9 20 20 A S H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.931 113.0 50.5 -68.8 -44.2 7.4 -9.8 17.0 21 21 A S H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.921 108.8 49.8 -59.2 -49.1 7.3 -9.9 13.2 22 22 A E H X S+ 0 0 18 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.896 111.1 50.9 -59.5 -38.9 10.2 -7.5 12.7 23 23 A T H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.2 0.919 112.7 44.4 -65.5 -43.9 12.3 -9.5 15.2 24 24 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.922 112.1 52.7 -66.8 -43.7 11.6 -12.8 13.5 25 25 A Y H X S+ 0 0 22 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.908 110.4 48.0 -57.9 -43.3 12.2 -11.4 10.0 26 26 A L H X S+ 0 0 4 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.920 110.3 51.9 -63.7 -42.8 15.6 -10.0 11.2 27 27 A F H X S+ 0 0 42 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.926 112.6 47.1 -57.0 -45.6 16.4 -13.5 12.7 28 28 A K H X S+ 0 0 60 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.931 112.1 46.4 -64.4 -49.0 15.5 -15.0 9.3 29 29 A V H < S+ 0 0 2 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.820 113.5 50.2 -66.7 -29.5 17.5 -12.6 7.1 30 30 A I H ><>S+ 0 0 0 -4,-2.2 5,-1.5 -5,-0.2 3,-0.7 0.899 112.0 48.0 -73.1 -39.6 20.5 -12.9 9.4 31 31 A S H ><5S+ 0 0 44 -4,-2.1 3,-1.9 -5,-0.2 -2,-0.2 0.900 108.3 53.9 -65.5 -40.7 20.2 -16.7 9.2 32 32 A E T 3<5S+ 0 0 53 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.605 97.4 68.0 -69.8 -9.6 19.9 -16.6 5.4 33 33 A M T < 5S- 0 0 12 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.447 124.3-103.1 -85.8 -4.7 23.2 -14.6 5.5 34 34 A G T < 5S+ 0 0 71 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.618 80.5 132.6 90.2 14.7 24.9 -17.8 6.7 35 35 A L < - 0 0 28 -5,-1.5 2,-0.9 -4,-0.1 -1,-0.3 -0.764 60.2-123.2-102.3 145.9 25.1 -16.6 10.3 36 36 A N E +a 2 0A 89 -35,-0.5 -33,-2.8 -2,-0.3 2,-0.3 -0.762 45.6 166.3 -88.8 107.1 24.2 -18.7 13.4 37 37 A V E -a 3 0A 5 -2,-0.9 2,-0.4 -35,-0.2 -33,-0.2 -0.943 23.4-165.8-129.4 146.2 21.6 -16.7 15.3 38 38 A D E -a 4 0A 22 -35,-2.3 -33,-2.5 -2,-0.3 2,-0.5 -0.964 18.4-136.7-124.6 143.1 19.1 -17.4 18.1 39 39 A I E -ac 5 48A 1 8,-0.6 10,-2.2 -2,-0.4 2,-0.5 -0.878 20.2-157.7 -97.4 129.6 16.1 -15.2 19.1 40 40 A I E + c 0 49A 1 -35,-2.2 -33,-0.4 -2,-0.5 2,-0.2 -0.945 28.3 143.5-110.4 125.2 15.9 -14.9 22.9 41 41 A S E - c 0 50A 5 8,-3.1 10,-1.5 -2,-0.5 -30,-0.1 -0.722 63.5 -68.4-141.7-167.1 12.5 -14.0 24.4 42 42 A L S S+ 0 0 57 8,-0.2 10,-0.3 -2,-0.2 2,-0.3 0.888 111.2 17.6 -59.6 -43.1 10.3 -14.8 27.3 43 43 A K S S- 0 0 164 -31,-0.3 2,-0.2 6,-0.2 -2,-0.2 -0.881 83.5 -99.9-131.2 162.4 9.5 -18.4 26.4 44 44 A N + 0 0 104 -2,-0.3 5,-0.3 -4,-0.1 2,-0.3 -0.568 59.8 142.6 -75.7 141.7 10.9 -21.1 24.2 45 45 A G - 0 0 36 3,-2.6 -32,-0.1 -2,-0.2 5,-0.0 -0.865 63.1 -56.1-159.5-166.0 8.9 -21.4 21.0 46 46 A V S S+ 0 0 133 -2,-0.3 -32,-0.1 1,-0.2 -33,-0.1 0.903 135.7 14.4 -53.3 -44.8 8.8 -22.0 17.2 47 47 A Y S S+ 0 0 76 -34,-0.4 -8,-0.6 -35,-0.1 2,-0.3 0.402 122.5 64.3-113.1 1.6 11.4 -19.2 16.6 48 48 A T E -c 39 0A 10 -10,-0.1 -3,-2.6 -35,-0.1 2,-0.3 -0.834 52.9-150.3-133.7 167.3 12.7 -18.6 20.1 49 49 A K E -c 40 0A 68 -10,-2.2 -8,-3.1 -2,-0.3 2,-0.2 -0.839 39.7-107.9-120.7 157.5 14.6 -19.7 23.2 50 50 A S E > -c 41 0A 17 -2,-0.3 3,-0.5 -10,-0.2 4,-0.5 -0.571 18.6-120.4 -90.0 155.5 13.8 -18.3 26.7 51 51 A F G > S+ 0 0 23 -10,-1.5 3,-0.8 1,-0.2 5,-0.1 0.881 113.2 56.0 -57.7 -37.5 16.0 -15.9 28.6 52 52 A D G 3 S+ 0 0 154 -10,-0.3 -1,-0.2 1,-0.2 -10,-0.1 0.785 100.4 54.7 -66.6 -33.1 16.2 -18.5 31.3 53 53 A E G < S+ 0 0 96 -3,-0.5 2,-0.3 2,-0.0 -1,-0.2 0.504 105.7 59.6 -83.6 -2.9 17.5 -21.4 29.2 54 54 A V S < S- 0 0 29 -3,-0.8 2,-0.6 -4,-0.5 3,-0.1 -0.816 71.1-132.1-125.9 165.3 20.5 -19.5 27.9 55 55 A D > - 0 0 82 -2,-0.3 3,-2.9 1,-0.1 4,-0.3 -0.964 17.8-148.3-114.9 111.1 23.6 -17.7 29.1 56 56 A V G > S+ 0 0 5 -2,-0.6 3,-1.6 1,-0.3 -1,-0.1 0.836 97.0 58.9 -48.2 -39.2 23.9 -14.3 27.4 57 57 A N G 3 S+ 0 0 51 1,-0.3 -1,-0.3 -3,-0.1 5,-0.0 0.417 85.9 77.3 -75.6 4.9 27.7 -14.5 27.5 58 58 A D G < S+ 0 0 112 -3,-2.9 2,-0.3 2,-0.0 -1,-0.3 0.592 85.8 80.5 -84.2 -12.3 27.6 -17.7 25.5 59 59 A Y < - 0 0 13 -3,-1.6 -56,-0.2 -4,-0.3 3,-0.1 -0.680 69.5-151.4 -96.0 149.5 27.0 -15.5 22.5 60 60 A D S S+ 0 0 71 -58,-2.8 2,-0.3 -2,-0.3 -57,-0.2 0.673 85.2 28.5 -90.9 -20.8 29.6 -13.5 20.6 61 61 A R E -b 3 0A 50 -59,-1.2 -57,-2.6 31,-0.1 2,-0.5 -0.997 65.4-156.9-142.9 134.8 27.3 -10.7 19.5 62 62 A L E -bd 4 94A 0 31,-0.7 33,-2.8 -2,-0.3 2,-0.4 -0.960 12.4-170.9-116.4 117.1 24.2 -9.3 21.1 63 63 A I E -bd 5 95A 0 -59,-3.4 -57,-2.2 -2,-0.5 2,-0.5 -0.911 2.8-164.6-109.5 132.7 21.7 -7.6 18.8 64 64 A V E -bd 6 96A 0 31,-3.1 33,-3.1 -2,-0.4 2,-0.4 -0.968 13.5-142.0-123.3 125.3 18.8 -5.6 20.2 65 65 A V E -bd 7 97A 1 -59,-3.1 -57,-2.2 -2,-0.5 -56,-0.2 -0.677 37.0-108.0 -81.4 132.8 15.7 -4.4 18.3 66 66 A N + 0 0 7 31,-1.8 2,-0.3 -2,-0.4 -57,-0.2 -0.182 48.9 155.7 -62.9 152.1 14.6 -1.0 19.6 67 67 A S - 0 0 4 36,-0.4 2,-0.1 -59,-0.1 -57,-0.0 -0.973 44.8 -90.7-165.7 164.7 11.5 -0.5 21.6 68 68 A S - 0 0 49 -2,-0.3 35,-0.1 1,-0.1 37,-0.0 -0.457 22.8-156.5 -78.0 157.6 9.8 1.8 24.1 69 69 A I + 0 0 17 -2,-0.1 2,-0.2 38,-0.1 -1,-0.1 0.114 46.7 134.0-120.5 17.5 10.5 1.0 27.8 70 70 A N - 0 0 126 1,-0.1 2,-0.8 41,-0.0 10,-0.1 -0.459 55.5-130.4 -70.1 138.4 7.4 2.7 29.1 71 71 A F > - 0 0 11 -2,-0.2 3,-2.3 3,-0.0 2,-0.1 -0.815 19.9-131.4 -95.8 108.6 5.4 0.8 31.6 72 72 A F G > S- 0 0 178 -2,-0.8 3,-1.6 1,-0.3 -1,-0.0 -0.350 90.8 -0.2 -59.6 129.3 1.7 0.7 30.7 73 73 A G G 3 S- 0 0 65 1,-0.3 -1,-0.3 -2,-0.1 -2,-0.0 0.557 120.3 -81.6 67.7 6.5 -0.4 1.6 33.7 74 74 A G G < S+ 0 0 18 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.532 98.2 130.9 76.1 5.7 2.8 1.9 35.7 75 75 A K < - 0 0 122 -3,-1.6 -1,-0.3 1,-0.1 -3,-0.0 -0.509 68.2 -83.1 -90.6 159.2 2.9 -1.8 36.1 76 76 A P - 0 0 50 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.300 35.1-157.5 -61.2 141.0 5.8 -4.2 35.5 77 77 A N > - 0 0 54 1,-0.1 4,-2.9 -8,-0.1 3,-0.3 -0.947 2.0-163.7-122.8 105.1 6.4 -5.3 31.9 78 78 A L H > S+ 0 0 89 -2,-0.5 4,-2.6 1,-0.2 5,-0.4 0.752 87.3 61.3 -61.8 -27.4 8.4 -8.5 31.9 79 79 A A H > S+ 0 0 11 -70,-0.2 4,-1.5 2,-0.2 -69,-0.3 0.953 114.1 36.1 -64.0 -46.6 9.3 -8.1 28.2 80 80 A I H > S+ 0 0 3 -71,-0.4 4,-2.2 -3,-0.3 -2,-0.2 0.961 121.9 44.4 -68.3 -53.9 11.1 -4.9 29.0 81 81 A L H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -3,-0.2 0.907 115.3 46.9 -60.5 -45.6 12.4 -5.9 32.4 82 82 A S H X S+ 0 0 25 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.868 111.7 51.5 -66.5 -36.8 13.6 -9.4 31.3 83 83 A A H X S+ 0 0 0 -4,-1.5 4,-2.3 -5,-0.4 -1,-0.2 0.914 111.8 45.6 -67.2 -42.3 15.3 -8.0 28.2 84 84 A Q H X S+ 0 0 0 -4,-2.2 4,-2.8 -76,-0.2 -2,-0.2 0.836 109.6 53.9 -72.2 -30.7 17.2 -5.4 30.1 85 85 A K H X S+ 0 0 79 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.880 110.6 49.1 -66.2 -37.7 18.3 -7.8 32.8 86 86 A F H X S+ 0 0 16 -4,-1.6 4,-0.7 2,-0.2 3,-0.3 0.926 113.4 45.6 -65.0 -47.2 19.6 -10.0 29.9 87 87 A M H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.883 107.4 57.7 -64.1 -41.5 21.4 -7.0 28.4 88 88 A A H 3< S+ 0 0 25 -4,-2.8 41,-0.3 1,-0.3 -1,-0.2 0.806 105.1 51.6 -61.6 -30.3 22.9 -5.8 31.7 89 89 A K H 3< S+ 0 0 148 -4,-1.2 -1,-0.3 -3,-0.3 2,-0.2 0.670 85.7 102.7 -81.6 -17.4 24.6 -9.2 32.2 90 90 A Y << - 0 0 4 -3,-0.9 40,-0.2 -4,-0.7 39,-0.1 -0.505 55.9-162.6 -69.9 131.4 26.2 -9.1 28.8 91 91 A K + 0 0 170 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.415 63.5 62.8 -96.6 0.4 29.9 -8.2 29.1 92 92 A S S S- 0 0 58 1,-0.2 2,-0.1 38,-0.1 -31,-0.1 -0.469 98.6 -57.3-114.3-172.2 30.6 -7.2 25.5 93 93 A K - 0 0 34 -2,-0.2 -31,-0.7 37,-0.1 2,-0.4 -0.379 47.8-141.7 -69.5 143.5 29.4 -4.5 23.0 94 94 A I E -de 62 132A 0 37,-2.3 39,-3.1 -33,-0.1 2,-0.7 -0.901 2.9-145.7-109.7 134.3 25.7 -4.4 22.3 95 95 A Y E -de 63 133A 6 -33,-2.8 -31,-3.1 -2,-0.4 2,-0.6 -0.881 14.2-161.3-102.4 111.0 24.3 -3.6 18.8 96 96 A Y E -de 64 134A 0 37,-2.6 39,-3.2 -2,-0.7 2,-0.9 -0.830 10.5-144.2 -97.2 117.6 21.1 -1.6 19.0 97 97 A L E -de 65 135A 0 -33,-3.1 -31,-1.8 -2,-0.6 2,-1.1 -0.721 13.4-163.4 -84.0 106.6 19.0 -1.6 15.8 98 98 A F E + e 0 136A 0 37,-2.4 39,-2.4 -2,-0.9 40,-0.4 -0.758 33.0 144.0 -94.9 90.0 17.5 1.9 15.6 99 99 A T + 0 0 16 -2,-1.1 2,-0.4 1,-0.2 -1,-0.2 0.573 62.5 52.4-101.5 -15.5 14.6 1.5 13.1 100 100 A D > - 0 0 19 -3,-0.2 3,-2.3 3,-0.2 -1,-0.2 -0.976 69.6-146.6-129.9 119.3 12.2 3.9 14.8 101 101 A I T 3 S+ 0 0 21 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.768 99.8 57.0 -51.4 -32.3 13.1 7.5 15.6 102 102 A R T 3 S+ 0 0 85 1,-0.2 -1,-0.3 -34,-0.0 -35,-0.0 0.596 99.5 63.5 -78.0 -10.6 10.8 7.5 18.7 103 103 A L < + 0 0 31 -3,-2.3 -36,-0.4 -35,-0.1 -1,-0.2 -0.301 62.8 158.4-114.3 52.4 12.6 4.4 20.2 104 104 A P - 0 0 33 0, 0.0 -37,-0.1 0, 0.0 44,-0.1 -0.323 58.3 -76.5 -69.8 157.6 16.2 5.3 21.0 105 105 A F + 0 0 5 -9,-0.1 2,-0.3 46,-0.1 46,-0.1 -0.252 60.9 175.2 -53.9 137.2 18.0 3.2 23.6 106 106 A S - 0 0 52 -3,-0.1 2,-0.4 44,-0.0 45,-0.0 -0.995 31.2-115.8-147.7 146.2 16.9 4.1 27.1 107 107 A Q - 0 0 26 -2,-0.3 4,-0.3 1,-0.1 20,-0.1 -0.699 13.7-160.0 -85.6 129.8 17.6 2.8 30.6 108 108 A S S >> S+ 0 0 0 -2,-0.4 4,-2.8 18,-0.3 3,-1.4 0.823 80.5 74.5 -77.6 -31.2 14.7 1.3 32.5 109 109 A W H 3> S+ 0 0 37 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.888 86.6 59.1 -49.8 -50.7 16.3 1.6 36.0 110 110 A P H 34 S+ 0 0 70 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.814 116.7 36.8 -51.1 -29.3 15.9 5.4 36.3 111 111 A N H X4 S+ 0 0 60 -3,-1.4 3,-1.3 -4,-0.3 4,-0.5 0.908 115.7 51.1 -87.3 -50.3 12.1 4.8 35.9 112 112 A V H 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43.4 -78.7 -39.8 -8.2 7.6 -16.0 316 316 A S X + 0 0 36 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 -0.875 51.7 179.7-116.1 103.7 -5.2 5.8 -17.6 317 317 A D H > S+ 0 0 79 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.848 90.2 59.5 -65.1 -31.1 -4.7 2.1 -17.0 318 318 A V H > S+ 0 0 112 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.902 105.8 45.7 -62.7 -42.8 -1.7 2.5 -19.3 319 319 A L H > S+ 0 0 29 2,-0.2 4,-2.7 -7,-0.2 5,-0.2 0.943 112.5 51.2 -65.1 -47.8 -0.1 5.1 -16.9 320 320 A R H X S+ 0 0 32 -4,-2.2 4,-1.9 -7,-0.3 -2,-0.2 0.912 112.3 45.4 -56.2 -47.5 -0.9 3.0 -13.9 321 321 A K H X S+ 0 0 123 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.860 111.2 53.4 -66.6 -36.3 0.7 -0.1 -15.3 322 322 A E H X S+ 0 0 85 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.947 110.2 46.7 -63.2 -48.1 3.7 1.8 -16.6 323 323 A M H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.851 111.1 52.0 -64.0 -33.7 4.4 3.2 -13.1 324 324 A L H X S+ 0 0 10 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.920 109.7 50.0 -67.7 -40.8 3.9 -0.2 -11.5 325 325 A S H X S+ 0 0 63 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.897 111.2 49.8 -62.6 -40.7 6.5 -1.6 -14.0 326 326 A I H X S+ 0 0 39 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.931 112.0 44.8 -65.4 -48.4 8.9 1.2 -13.1 327 327 A Q H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.849 111.6 53.7 -67.8 -32.2 8.7 0.8 -9.3 328 328 A H H X S+ 0 0 29 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.930 111.4 45.6 -66.3 -43.7 9.0 -3.0 -9.6 329 329 A D H X S+ 0 0 102 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.923 111.7 51.6 -63.2 -45.8 12.2 -2.7 -11.7 330 330 A I H X S+ 0 0 53 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.871 109.0 51.3 -60.6 -36.2 13.6 -0.0 -9.3 331 331 A L H >X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 3,-0.8 0.952 108.3 51.1 -65.4 -46.9 12.9 -2.4 -6.4 332 332 A N H 3X S+ 0 0 55 -4,-2.3 4,-1.7 1,-0.3 -1,-0.2 0.755 99.7 66.2 -62.2 -23.3 14.7 -5.2 -8.2 333 333 A K H 3< S+ 0 0 128 -4,-1.5 -1,-0.3 1,-0.2 4,-0.2 0.910 106.0 41.3 -63.5 -42.2 17.7 -2.8 -8.7 334 334 A T H X< S+ 0 0 29 -4,-1.1 3,-1.6 -3,-0.8 -2,-0.2 0.857 109.8 58.0 -73.9 -34.6 18.3 -2.8 -5.0 335 335 A R H >< S+ 0 0 90 -4,-1.8 3,-1.6 1,-0.3 -1,-0.2 0.836 95.9 65.3 -63.6 -29.9 17.6 -6.5 -4.6 336 336 A A T 3< S+ 0 0 82 -4,-1.7 3,-0.3 1,-0.3 -1,-0.3 0.664 95.9 58.4 -66.1 -15.1 20.5 -7.0 -7.1 337 337 A K T <> + 0 0 111 -3,-1.6 4,-2.3 -4,-0.2 -1,-0.3 0.058 68.7 121.5-102.1 24.5 22.8 -5.6 -4.5 338 338 A K H <> S+ 0 0 55 -3,-1.6 4,-2.7 1,-0.2 5,-0.2 0.894 70.2 53.7 -52.7 -48.2 21.9 -8.2 -1.9 339 339 A A H > S+ 0 0 50 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.914 110.4 46.6 -55.6 -46.6 25.5 -9.5 -1.5 340 340 A E H > S+ 0 0 120 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.906 111.6 51.8 -63.0 -42.4 26.7 -6.0 -0.7 341 341 A W H X S+ 0 0 15 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.920 110.0 49.0 -59.9 -46.5 23.9 -5.4 1.7 342 342 A Q H X S+ 0 0 35 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.904 112.0 48.6 -60.8 -43.3 24.7 -8.6 3.6 343 343 A D H X S+ 0 0 99 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.866 108.9 53.3 -66.3 -35.6 28.4 -7.7 3.7 344 344 A A H X S+ 0 0 40 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.857 108.3 50.6 -67.9 -34.2 27.5 -4.2 5.1 345 345 A F H X S+ 0 0 6 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.946 109.8 48.9 -68.2 -47.2 25.4 -5.8 7.8 346 346 A K H <>S+ 0 0 58 -4,-2.1 5,-3.1 1,-0.2 3,-0.2 0.919 112.1 49.4 -57.3 -43.3 28.2 -8.1 8.9 347 347 A K H ><5S+ 0 0 127 -4,-2.2 3,-1.6 3,-0.2 -1,-0.2 0.884 106.0 58.3 -62.9 -37.6 30.6 -5.2 8.9 348 348 A A H 3<5S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.858 108.7 43.7 -61.2 -37.6 28.1 -3.2 11.0 349 349 A I T 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 -0.026 124.6-102.2 -99.3 31.4 28.1 -5.9 13.7 350 350 A D T < 5 0 0 65 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.822 360.0 360.0 54.8 41.9 31.9 -6.2 13.6 351 351 A L < 0 0 76 -5,-3.1 -1,-0.2 -6,-0.1 -2,-0.0 -0.578 360.0 360.0-110.6 360.0 32.1 -9.4 11.6