==== 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 LYASE 14-OCT-03 1R66 . COMPND 2 MOLECULE: TDP-GLUCOSE-4,6-DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES VENEZUELAE; . AUTHOR S.T.M.ALLARD,W.W.CLELAND,H.M.HOLDEN . 322 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.6 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 . 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 . 25 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 1 0 1 3 0 0 1 1 2 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 4 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 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 1 A M 0 0 108 0, 0.0 30,-2.0 0, 0.0 31,-1.5 0.000 360.0 360.0 360.0 41.9 44.6 -3.3 36.6 2 2 A R E -a 32 0A 95 74,-0.3 76,-2.0 29,-0.2 77,-1.2 -0.951 360.0-171.9-110.6 124.0 47.0 -2.5 39.5 3 3 A L E -ab 33 79A 8 29,-3.2 31,-2.5 -2,-0.5 2,-0.4 -0.941 17.0-156.6-119.4 148.9 49.9 -0.3 38.4 4 4 A L E -ab 34 80A 0 75,-2.2 77,-2.2 -2,-0.4 2,-0.6 -0.968 9.1-167.5-120.4 127.0 53.0 0.8 40.1 5 5 A V E > -ab 35 81A 0 29,-3.2 31,-1.9 -2,-0.4 3,-0.8 -0.955 8.7-153.7-116.4 114.3 54.7 4.1 39.0 6 6 A T E 3 S+ab 36 82A 0 75,-1.9 77,-1.5 -2,-0.6 31,-0.2 -0.588 80.6 17.7 -83.4 149.3 58.2 4.7 40.3 7 7 A G T > S+ 0 0 8 29,-2.5 3,-2.0 76,-0.2 6,-0.4 0.716 78.6 147.6 66.1 21.6 59.3 8.3 40.5 8 8 A G T < + 0 0 0 -3,-0.8 9,-0.1 28,-0.6 29,-0.1 0.453 63.0 59.9 -72.2 2.8 55.7 9.5 40.3 9 9 A A T 3 S+ 0 0 0 27,-0.2 35,-2.6 4,-0.1 38,-0.3 0.338 93.5 86.1-106.4 5.7 56.3 12.5 42.5 10 10 A G S <> S- 0 0 14 -3,-2.0 4,-1.7 33,-0.2 5,-0.3 -0.134 98.6 -83.6 -87.9-169.0 58.9 13.9 40.0 11 11 A F H > S+ 0 0 28 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.985 121.6 25.2 -64.0 -60.9 58.2 16.0 36.9 12 12 A I H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.922 121.5 55.7 -72.8 -40.0 57.3 13.6 34.2 13 13 A G H > S+ 0 0 2 -6,-0.4 4,-2.4 1,-0.2 -5,-0.2 0.885 106.4 49.9 -59.4 -45.1 56.1 10.9 36.5 14 14 A S H X S+ 0 0 0 -4,-1.7 4,-3.1 -7,-0.3 5,-0.3 0.878 109.0 52.5 -63.6 -37.6 53.6 13.1 38.2 15 15 A H H X S+ 0 0 13 -4,-1.3 4,-2.5 -5,-0.3 5,-0.3 0.946 109.0 49.9 -64.1 -42.3 52.2 14.2 34.9 16 16 A F H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.952 113.5 46.8 -61.2 -43.5 51.7 10.6 33.9 17 17 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.920 111.9 48.3 -63.2 -47.9 49.9 9.9 37.2 18 18 A R H X S+ 0 0 24 -4,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.927 115.8 45.9 -61.0 -42.3 47.7 13.0 37.0 19 19 A Q H X>S+ 0 0 54 -4,-2.5 5,-2.3 -5,-0.3 4,-0.9 0.930 111.3 50.4 -66.9 -45.5 46.7 12.1 33.5 20 20 A L H ><5S+ 0 0 4 -4,-2.9 3,-1.1 -5,-0.3 5,-0.3 0.948 113.6 45.6 -57.1 -46.9 46.1 8.4 34.1 21 21 A L H 3<5S+ 0 0 12 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.766 107.2 58.9 -70.2 -24.0 43.9 9.2 37.0 22 22 A A H 3<5S- 0 0 77 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.666 117.8-114.6 -76.8 -15.1 42.2 11.8 35.0 23 23 A G T <<5S+ 0 0 51 -3,-1.1 -3,-0.2 -4,-0.9 -2,-0.1 0.649 73.2 136.0 91.5 19.0 41.3 9.1 32.4 24 24 A A < + 0 0 44 -5,-2.3 -4,-0.2 1,-0.2 3,-0.1 0.658 68.3 57.7 -71.7 -15.7 43.3 10.5 29.6 25 25 A Y > + 0 0 15 -6,-0.4 3,-2.4 -5,-0.3 -1,-0.2 -0.689 61.3 171.4-117.2 74.6 44.5 6.9 28.8 26 26 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.801 78.3 57.7 -53.1 -32.6 41.4 4.9 28.2 27 27 A D T 3 S+ 0 0 132 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.543 98.2 63.7 -77.8 -8.3 43.4 2.0 27.0 28 28 A V S < S- 0 0 17 -3,-2.4 2,-0.4 -8,-0.1 -3,-0.2 -0.863 81.2-154.4-113.6 94.7 45.3 1.8 30.3 29 29 A P - 0 0 73 0, 0.0 2,-0.7 0, 0.0 3,-0.2 -0.553 6.0-161.1 -78.2 129.3 42.8 0.9 32.9 30 30 A A + 0 0 9 -2,-0.4 3,-0.2 -10,-0.2 -28,-0.1 -0.864 28.8 154.6-114.5 104.5 43.7 2.1 36.3 31 31 A D S S+ 0 0 87 -30,-2.0 2,-0.3 -2,-0.7 -29,-0.2 0.775 81.3 9.0 -90.3 -34.1 42.0 0.5 39.2 32 32 A E E -a 2 0A 53 -31,-1.5 -29,-3.2 -3,-0.2 2,-0.5 -0.948 65.2-166.1-151.4 131.1 44.7 1.1 41.6 33 33 A V E -ac 3 57A 0 23,-3.3 25,-2.6 -2,-0.3 2,-0.5 -0.974 3.1-167.2-121.6 123.1 47.8 3.2 41.2 34 34 A I E -ac 4 58A 4 -31,-2.5 -29,-3.2 -2,-0.5 2,-0.5 -0.934 7.0-157.9-107.3 132.8 50.7 3.0 43.6 35 35 A V E -ac 5 59A 0 23,-3.2 25,-3.5 -2,-0.5 2,-0.5 -0.958 4.5-167.0-111.5 127.8 53.3 5.6 43.4 36 36 A L E +ac 6 60A 2 -31,-1.9 -29,-2.5 -2,-0.5 -28,-0.6 -0.950 21.6 154.1-112.0 117.3 56.8 4.8 44.8 37 37 A D E - c 0 61A 14 23,-2.5 25,-1.4 -2,-0.5 26,-0.1 -0.988 39.2-152.2-147.5 136.0 59.0 7.8 45.2 38 38 A S - 0 0 42 -2,-0.4 25,-0.1 23,-0.2 23,-0.1 0.478 39.5-128.7 -87.0 -0.8 62.0 8.4 47.6 39 39 A L + 0 0 39 23,-0.1 6,-0.1 3,-0.0 -2,-0.0 0.940 39.4 175.1 53.2 62.1 61.4 12.2 47.5 40 40 A T > - 0 0 55 1,-0.1 3,-1.4 4,-0.0 -1,-0.0 -0.058 61.3 -70.4 -75.3-170.8 64.9 13.3 46.7 41 41 A Y T 3 S+ 0 0 67 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.787 140.4 51.3 -52.8 -26.7 65.5 17.1 46.1 42 42 A A T 3 S+ 0 0 28 145,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.613 90.4 85.6 -89.0 -15.6 63.5 16.5 42.9 43 43 A G < - 0 0 14 -3,-1.4 2,-0.4 -33,-0.1 -33,-0.2 -0.713 56.1-175.0 -89.6 144.7 60.4 14.7 44.2 44 44 A N > - 0 0 33 -35,-2.6 3,-1.8 -2,-0.3 4,-0.4 -0.957 27.8-152.8-145.4 120.8 57.6 16.8 45.5 45 45 A R G > S+ 0 0 143 -2,-0.4 3,-1.4 1,-0.3 4,-0.2 0.815 97.6 67.5 -58.8 -29.3 54.4 15.8 47.2 46 46 A A G > S+ 0 0 43 1,-0.2 3,-1.3 2,-0.2 -1,-0.3 0.785 85.2 70.0 -64.7 -20.7 52.8 18.9 45.8 47 47 A N G < S+ 0 0 2 -3,-1.8 -1,-0.2 -38,-0.3 -2,-0.2 0.755 106.1 40.7 -65.7 -20.5 53.1 17.5 42.2 48 48 A L G X> S+ 0 0 8 -3,-1.4 3,-1.9 -4,-0.4 4,-0.5 0.319 84.4 103.3-107.3 5.4 50.4 15.0 43.2 49 49 A A G X4 S+ 0 0 46 -3,-1.3 3,-1.0 1,-0.3 4,-0.3 0.873 72.5 63.2 -57.7 -36.0 48.2 17.4 45.2 50 50 A P G 34 S+ 0 0 79 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.666 116.5 30.8 -62.8 -14.4 45.7 17.7 42.4 51 51 A V G X4 S+ 0 0 21 -3,-1.9 3,-2.1 2,-0.1 -2,-0.2 0.258 81.9 106.4-126.4 7.4 45.0 14.0 42.8 52 52 A D T << S+ 0 0 113 -3,-1.0 -3,-0.1 -4,-0.5 7,-0.1 0.752 77.9 61.9 -63.3 -17.7 45.6 13.2 46.5 53 53 A A T 3 S+ 0 0 92 -4,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.543 78.1 113.4 -79.4 -11.8 41.8 12.9 47.1 54 54 A D X - 0 0 36 -3,-2.1 3,-1.2 1,-0.2 -3,-0.1 -0.563 59.4-154.3 -71.0 120.7 41.8 10.0 44.6 55 55 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.674 91.2 62.4 -63.2 -23.3 40.9 6.8 46.4 56 56 A R T 3 S+ 0 0 81 -24,-0.1 -23,-3.3 -26,-0.1 2,-0.5 0.600 88.2 89.7 -81.9 -10.7 42.7 4.8 43.7 57 57 A L E < -c 33 0A 29 -3,-1.2 2,-0.5 -6,-0.2 -23,-0.2 -0.764 51.2-177.2 -96.0 129.1 46.0 6.4 44.5 58 58 A R E -c 34 0A 112 -25,-2.6 -23,-3.2 -2,-0.5 2,-0.5 -0.995 13.4-154.4-123.8 122.6 48.4 5.0 47.1 59 59 A F E -c 35 0A 51 -2,-0.5 2,-0.5 -25,-0.2 -23,-0.2 -0.881 8.0-168.9 -99.0 124.6 51.5 7.0 47.7 60 60 A V E -c 36 0A 10 -25,-3.5 -23,-2.5 -2,-0.5 2,-0.9 -0.956 13.1-152.6-117.6 117.4 54.6 5.2 49.0 61 61 A H E +c 37 0A 108 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.792 56.6 103.1 -87.2 103.9 57.6 7.2 50.3 62 62 A G - 0 0 13 -25,-1.4 2,-0.3 -2,-0.9 -23,-0.1 -0.982 65.7 -88.6-172.0 176.4 60.4 4.7 49.6 63 63 A D > - 0 0 34 -2,-0.3 3,-1.6 -25,-0.1 7,-0.2 -0.777 13.9-139.1-112.4 144.2 63.2 3.7 47.4 64 64 A I T 3 S+ 0 0 8 -2,-0.3 -1,-0.1 1,-0.3 6,-0.0 0.670 107.4 63.6 -67.4 -16.6 63.5 1.5 44.3 65 65 A R T 3 S+ 0 0 109 1,-0.1 2,-1.3 44,-0.1 -1,-0.3 0.557 79.3 94.6 -82.4 -6.9 66.7 0.2 45.9 66 66 A D <> + 0 0 77 -3,-1.6 4,-2.4 1,-0.2 5,-0.2 -0.633 49.5 179.9 -88.8 91.1 64.8 -1.3 48.8 67 67 A A H > S+ 0 0 48 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.835 79.9 58.6 -61.0 -31.6 64.1 -4.9 47.8 68 68 A G H > S+ 0 0 48 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.963 109.6 42.9 -58.1 -57.5 62.2 -5.5 51.1 69 69 A L H >> S+ 0 0 22 1,-0.2 4,-3.3 2,-0.2 3,-0.5 0.912 114.7 49.4 -57.2 -48.7 59.7 -2.8 50.3 70 70 A L H 3X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.884 101.4 61.9 -63.1 -39.7 59.3 -3.8 46.7 71 71 A A H 3< S+ 0 0 50 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.845 115.6 35.1 -56.7 -33.5 58.8 -7.4 47.4 72 72 A R H X< S+ 0 0 139 -4,-1.2 3,-1.6 -3,-0.5 -2,-0.2 0.898 117.1 49.0 -87.6 -47.1 55.7 -6.4 49.3 73 73 A E H 3< S+ 0 0 23 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.801 106.8 58.5 -63.7 -25.4 54.4 -3.4 47.3 74 74 A L T >< S+ 0 0 0 -4,-2.6 3,-2.1 -5,-0.3 2,-0.3 0.492 73.4 124.1 -82.3 -1.0 54.7 -5.4 44.0 75 75 A R T < S+ 0 0 168 -3,-1.6 3,-0.1 1,-0.3 43,-0.1 -0.416 89.4 0.1 -63.7 120.6 52.3 -8.2 45.2 76 76 A G T 3 S+ 0 0 52 41,-0.4 2,-0.3 1,-0.3 -1,-0.3 0.476 94.8 146.4 81.4 -3.5 49.5 -8.4 42.7 77 77 A V < - 0 0 4 -3,-2.1 43,-0.5 1,-0.1 -1,-0.3 -0.509 30.2-169.8 -70.8 129.3 51.0 -5.6 40.5 78 78 A D + 0 0 76 -76,-2.0 43,-1.3 -2,-0.3 42,-0.4 0.793 65.2 9.3 -88.1 -30.7 50.3 -6.1 36.8 79 79 A A E -bd 3 121A 13 -77,-1.2 -75,-2.2 41,-0.2 2,-0.4 -0.995 57.3-153.5-151.5 150.6 52.5 -3.4 35.3 80 80 A I E -bd 4 122A 0 41,-1.7 43,-2.4 -2,-0.3 2,-0.5 -0.969 2.5-161.0-124.3 139.6 55.2 -1.0 36.3 81 81 A V E -bd 5 123A 0 -77,-2.2 -75,-1.9 -2,-0.4 2,-0.9 -0.992 21.1-151.2-117.6 115.9 56.1 2.4 34.6 82 82 A H E +bd 6 124A 1 41,-2.9 43,-1.7 -2,-0.5 -75,-0.1 -0.765 41.0 141.5-102.4 98.7 59.5 3.3 35.7 83 83 A F + 0 0 24 -77,-1.5 -76,-0.2 -2,-0.9 -1,-0.2 0.551 34.1 121.0-102.0 -18.4 60.4 7.0 35.9 84 84 A A + 0 0 17 -48,-0.1 2,-0.3 -74,-0.0 -78,-0.1 -0.319 39.2 116.4 -56.2 128.5 62.6 7.0 39.1 85 85 A A S S- 0 0 32 -2,-0.1 2,-0.5 -78,-0.0 14,-0.1 -0.960 72.0 -95.7-177.5 160.9 66.1 8.3 38.4 86 86 A E + 0 0 17 -2,-0.3 17,-0.0 13,-0.2 -2,-0.0 -0.801 49.3 179.2 -83.7 123.6 68.7 10.9 39.1 87 87 A S + 0 0 45 -2,-0.5 2,-0.6 1,-0.1 -1,-0.1 0.533 35.8 97.8-118.2 1.5 68.1 13.1 36.0 88 88 A H > - 0 0 14 1,-0.2 4,-2.0 102,-0.0 3,-0.4 -0.810 51.0-156.5-103.3 123.0 70.3 16.1 35.8 89 89 A V H > S+ 0 0 7 -2,-0.6 4,-1.8 1,-0.2 62,-0.2 0.893 95.0 53.2 -53.4 -46.7 73.4 16.1 33.7 90 90 A D H > S+ 0 0 41 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.875 108.5 50.0 -58.6 -39.4 75.2 18.9 35.7 91 91 A R H > S+ 0 0 104 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.897 108.1 55.0 -64.8 -38.7 74.6 16.9 39.0 92 92 A S H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.820 107.7 47.8 -65.5 -33.1 76.1 13.9 37.3 93 93 A I H < S+ 0 0 60 -4,-1.8 3,-0.3 -5,-0.2 -1,-0.2 0.896 116.5 43.8 -74.1 -35.9 79.2 15.7 36.4 94 94 A A H < S+ 0 0 93 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.795 136.5 8.0 -74.4 -34.6 79.6 17.1 39.9 95 95 A G < + 0 0 39 -4,-2.6 3,-0.4 -5,-0.2 4,-0.3 -0.559 67.7 173.2-152.4 83.2 78.8 13.8 41.7 96 96 A A >> + 0 0 41 -3,-0.3 3,-1.5 1,-0.2 4,-1.1 0.729 61.0 77.2 -65.9 -31.1 78.5 10.8 39.5 97 97 A S H 3> S+ 0 0 87 1,-0.3 4,-2.6 2,-0.2 3,-0.5 0.893 87.1 57.6 -53.9 -44.7 78.1 8.0 42.0 98 98 A V H 3> S+ 0 0 63 -3,-0.4 4,-2.7 1,-0.2 5,-0.4 0.762 101.4 61.3 -57.2 -25.2 74.4 8.5 42.9 99 99 A F H <>>S+ 0 0 1 -3,-1.5 4,-1.8 -4,-0.3 5,-0.7 0.919 107.4 41.8 -69.0 -44.8 73.7 8.1 39.2 100 100 A T H X>S+ 0 0 79 -4,-1.1 5,-2.4 -3,-0.5 4,-1.5 0.939 115.8 53.0 -64.4 -43.9 75.0 4.5 39.1 101 101 A E H <>S+ 0 0 82 -4,-2.6 5,-1.1 3,-0.2 -2,-0.2 0.925 121.3 25.2 -56.8 -55.4 73.4 3.8 42.3 102 102 A T H <5S+ 0 0 18 -4,-2.7 5,-0.4 3,-0.2 -1,-0.2 0.895 128.6 42.1 -76.3 -43.7 69.8 4.9 41.5 103 103 A N H <5S+ 0 0 1 -4,-1.8 4,-0.5 -5,-0.4 -3,-0.2 0.932 128.3 20.3 -74.9 -47.5 69.8 4.4 37.8 104 104 A V T X S+ 0 0 2 -4,-0.5 4,-2.7 -5,-0.4 5,-0.2 0.933 110.7 51.2 -61.7 -42.4 66.7 -0.5 38.0 108 108 A Q H X S+ 0 0 63 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.944 112.0 46.8 -60.5 -45.7 68.3 -4.0 38.6 109 109 A T H X S+ 0 0 16 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.935 112.2 49.5 -59.7 -49.2 66.6 -4.2 42.0 110 110 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.920 113.5 45.8 -58.4 -46.5 63.3 -3.1 40.6 111 111 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.906 111.0 51.7 -70.0 -36.8 63.4 -5.6 37.7 112 112 A Q H X S+ 0 0 48 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.944 111.5 47.8 -62.3 -44.3 64.5 -8.5 39.9 113 113 A C H X S+ 0 0 8 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.876 108.2 55.5 -63.6 -33.8 61.7 -7.8 42.2 114 114 A A H <>S+ 0 0 0 -4,-1.9 5,-2.6 2,-0.2 4,-0.2 0.912 108.6 47.7 -64.3 -41.6 59.3 -7.6 39.2 115 115 A V H ><5S+ 0 0 45 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.939 112.3 49.6 -63.8 -44.9 60.4 -11.1 38.2 116 116 A D H 3<5S+ 0 0 115 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.796 113.3 46.2 -66.2 -25.2 60.0 -12.4 41.7 117 117 A A T 3<5S- 0 0 35 -4,-1.6 -41,-0.4 -5,-0.2 -1,-0.3 0.291 110.4-119.2 -97.2 3.7 56.5 -10.9 42.0 118 118 A G T < 5 - 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0 0 164 -2,-0.4 -51,-0.0 -6,-0.1 2,-0.0 -0.985 43.4-108.9-142.8 134.4 52.0 11.8 16.8 296 296 A P - 0 0 42 0, 0.0 -52,-0.1 0, 0.0 3,-0.0 -0.400 27.5-172.7 -63.1 145.3 52.7 14.8 19.1 297 297 A Q + 0 0 152 -78,-0.1 2,-0.7 1,-0.1 -53,-0.0 0.468 56.8 84.8-117.4 -8.0 49.7 17.0 19.5 298 298 A V - 0 0 33 -79,-0.1 -79,-0.3 4,-0.0 2,-0.1 -0.830 68.7-142.7-102.2 115.0 51.1 20.1 21.4 299 299 A S > - 0 0 55 -2,-0.7 4,-3.5 1,-0.1 5,-0.3 -0.436 17.5-123.9 -70.4 146.9 52.7 22.7 19.4 300 300 A F H > S+ 0 0 26 1,-0.2 4,-3.4 2,-0.2 5,-0.4 0.910 108.7 54.5 -54.3 -51.6 55.7 24.4 20.9 301 301 A A H > S+ 0 0 73 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.935 116.4 36.0 -55.8 -46.0 54.3 27.8 20.6 302 302 A D H > S+ 0 0 103 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.958 119.5 48.8 -72.3 -46.0 51.1 26.9 22.5 303 303 A G H X S+ 0 0 0 -4,-3.5 4,-2.1 1,-0.2 -2,-0.2 0.918 112.2 48.8 -58.1 -45.9 52.8 24.5 25.0 304 304 A L H X S+ 0 0 6 -4,-3.4 4,-2.7 -5,-0.3 5,-0.3 0.905 109.4 53.2 -62.6 -39.9 55.5 27.0 25.7 305 305 A A H X S+ 0 0 61 -4,-1.6 4,-2.1 -5,-0.4 -2,-0.2 0.938 110.2 45.9 -63.4 -43.0 53.0 29.8 26.3 306 306 A R H X S+ 0 0 121 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.842 112.1 53.7 -65.9 -34.5 51.0 27.8 28.8 307 307 A T H X S+ 0 0 1 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.940 107.9 47.4 -64.8 -47.5 54.2 26.7 30.5 308 308 A V H X S+ 0 0 7 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.933 112.3 50.9 -60.1 -43.4 55.5 30.2 31.0 309 309 A R H X S+ 0 0 139 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.931 105.8 56.0 -61.2 -42.5 52.1 31.3 32.3 310 310 A W H X S+ 0 0 36 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.924 109.0 46.5 -55.7 -45.2 52.1 28.4 34.8 311 311 A Y H >< S+ 0 0 1 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.908 109.9 54.5 -64.6 -38.7 55.5 29.6 36.2 312 312 A R H 3< S+ 0 0 118 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.899 114.6 40.2 -61.3 -39.7 54.1 33.1 36.4 313 313 A E H 3< S+ 0 0 110 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.515 112.6 55.2 -88.5 -1.4 51.2 31.9 38.4 314 314 A N XX + 0 0 55 -4,-0.9 3,-2.1 -3,-0.7 4,-1.8 -0.089 51.1 133.7-124.9 35.6 53.0 29.4 40.7 315 315 A R H 3> S+ 0 0 84 -3,-0.5 4,-2.7 1,-0.3 -1,-0.1 0.853 73.8 66.5 -52.9 -32.2 55.9 31.2 42.4 316 316 A G H 34 S+ 0 0 67 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.841 104.9 43.0 -60.7 -29.4 54.6 29.5 45.6 317 317 A W H <4 S+ 0 0 28 -3,-2.1 4,-0.4 2,-0.1 -2,-0.2 0.902 122.2 34.0 -79.4 -48.2 55.7 26.1 44.0 318 318 A W H >X S+ 0 0 0 -4,-1.8 4,-0.8 1,-0.2 3,-0.8 0.777 99.5 74.5 -83.8 -26.8 59.0 27.0 42.6 319 319 A E G >< S+ 0 0 100 -4,-2.7 3,-1.4 -5,-0.3 -1,-0.2 0.938 96.5 50.0 -53.4 -48.5 60.4 29.5 45.0 320 320 A P G 34 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.766 104.7 60.5 -62.0 -24.6 61.2 27.0 47.6 321 321 A L G <4 0 0 46 -3,-0.8 -2,-0.2 -4,-0.4 -3,-0.1 0.679 360.0 360.0 -79.2 -16.3 63.0 24.9 45.1 322 322 A K << 0 0 108 -3,-1.4 -1,-0.2 -4,-0.8 -3,-0.1 0.843 360.0 360.0 -91.9 360.0 65.5 27.5 44.2