==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 20-MAY-10 3AJ2 . COMPND 2 MOLECULE: CELLULOSE SYNTHASE OPERON PROTEIN D; . SOURCE 2 ORGANISM_SCIENTIFIC: ACETOBACTER XYLINUS; . AUTHOR S.Q.HU,K.TAJIMA,Y.ZHOU,I.TANAKA,M.YAO . 609 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 413 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 2 0.3 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 . 39 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 214 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 1 3 0 0 0 0 0 0 1 3 4 6 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 0 1 0 7 3 1 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 4 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 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 5 A E 0 0 226 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.4 70.1 6.4 95.5 2 6 A K - 0 0 177 1,-0.1 3,-0.0 3,-0.0 212,-0.0 0.181 360.0-165.7 -31.1 121.0 66.7 8.2 95.2 3 7 A K - 0 0 145 1,-0.1 2,-0.2 234,-0.0 -1,-0.1 -0.616 39.1 -85.9 -90.1 165.8 65.4 9.0 91.6 4 8 A P - 0 0 41 0, 0.0 2,-0.4 0, 0.0 210,-0.2 -0.495 38.0-121.6 -69.6 143.9 62.5 11.5 91.3 5 9 A D - 0 0 22 208,-2.4 4,-0.2 -2,-0.2 150,-0.1 -0.733 24.7-176.2 -80.8 132.1 58.9 10.2 91.6 6 10 A F > + 0 0 5 -2,-0.4 4,-3.1 2,-0.1 5,-0.2 0.591 58.2 94.2-101.4 -6.6 56.8 10.9 88.5 7 11 A T H > S+ 0 0 31 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.897 86.7 44.8 -54.0 -54.3 53.4 9.6 89.7 8 12 A L H > S+ 0 0 3 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.920 114.7 50.2 -61.7 -43.0 51.9 12.8 91.0 9 13 A F H > S+ 0 0 1 -4,-0.2 4,-3.1 1,-0.2 -1,-0.3 0.943 113.1 46.8 -55.6 -45.3 53.1 14.6 87.9 10 14 A L H X S+ 0 0 0 -4,-3.1 4,-3.1 2,-0.2 5,-0.3 0.916 109.3 53.6 -67.6 -34.6 51.5 11.9 85.8 11 15 A Q H X S+ 0 0 4 -4,-3.1 4,-2.0 -5,-0.2 -1,-0.2 0.970 116.0 39.5 -61.9 -47.9 48.3 12.0 87.8 12 16 A T H X S+ 0 0 3 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.849 115.6 52.4 -72.6 -34.0 48.1 15.7 87.2 13 17 A L H X S+ 0 0 0 -4,-3.1 4,-2.9 -5,-0.2 5,-0.3 0.951 107.9 50.1 -64.6 -52.4 49.3 15.5 83.5 14 18 A S H X S+ 0 0 0 -4,-3.1 4,-3.2 -5,-0.2 5,-0.3 0.957 112.5 49.2 -50.7 -49.6 46.8 12.9 82.6 15 19 A W H X S+ 0 0 66 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.933 110.6 49.3 -55.9 -50.2 44.1 15.1 84.1 16 20 A E H >X S+ 0 0 35 -4,-2.6 4,-1.8 1,-0.2 3,-0.8 0.971 114.4 43.6 -59.1 -53.5 45.2 18.1 82.3 17 21 A I H >X>S+ 0 0 8 -4,-2.9 4,-3.2 1,-0.2 3,-0.8 0.956 111.9 53.3 -51.7 -54.7 45.4 16.5 78.9 18 22 A D H 3<5S+ 0 0 44 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.698 109.8 51.7 -58.9 -21.0 42.0 14.6 79.4 19 23 A D H <<5S+ 0 0 110 -4,-1.5 -1,-0.3 -3,-0.8 -2,-0.2 0.885 120.5 29.4 -75.5 -45.3 40.4 17.9 80.2 20 24 A Q H <<5S+ 0 0 100 -4,-1.8 -2,-0.2 -3,-0.8 -3,-0.2 0.730 124.8 32.8 -97.4 -26.9 41.6 19.7 77.2 21 25 A V T <5S- 0 0 66 -4,-3.2 2,-0.3 1,-0.3 4,-0.2 0.791 91.1-116.3-114.1 -27.5 42.0 17.2 74.4 22 26 A G < - 0 0 32 -5,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 -0.826 29.8 -90.6 123.2-170.8 39.5 14.4 74.4 23 27 A I S > S+ 0 0 63 -2,-0.3 4,-3.2 3,-0.1 5,-0.2 0.714 117.8 53.0-108.2 -38.5 40.1 10.7 74.8 24 28 A E H > S+ 0 0 150 1,-0.2 4,-2.0 2,-0.2 -2,-0.1 0.825 113.9 45.2 -70.9 -27.5 40.6 9.5 71.2 25 29 A V H > S+ 0 0 91 2,-0.2 4,-2.0 -4,-0.2 -1,-0.2 0.848 112.9 50.3 -81.5 -40.5 43.3 12.1 70.7 26 30 A R H > S+ 0 0 2 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.923 111.8 49.2 -54.6 -51.7 44.9 11.3 74.0 27 31 A N H X S+ 0 0 19 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.949 110.6 49.1 -59.2 -48.6 44.9 7.7 73.0 28 32 A E H X S+ 0 0 86 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.867 112.2 49.8 -56.6 -37.7 46.4 8.4 69.7 29 33 A L H X S+ 0 0 27 -4,-2.0 4,-1.8 1,-0.2 3,-0.4 0.959 110.2 48.5 -67.6 -52.9 49.1 10.5 71.4 30 34 A L H X S+ 0 0 1 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.747 107.0 57.6 -56.5 -31.7 49.9 7.8 73.9 31 35 A R H X S+ 0 0 72 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.881 106.4 48.7 -67.9 -43.8 50.1 5.2 71.1 32 36 A E H X S+ 0 0 53 -4,-1.6 4,-3.9 -3,-0.4 -2,-0.2 0.888 109.4 52.9 -58.7 -42.3 52.8 7.2 69.3 33 37 A V H X S+ 0 0 1 -4,-1.8 4,-3.2 2,-0.2 -2,-0.2 0.912 109.1 48.5 -64.2 -38.9 54.7 7.5 72.6 34 38 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.966 111.1 50.9 -63.5 -50.4 54.6 3.8 73.0 35 39 A R H X S+ 0 0 88 -4,-2.8 4,-0.8 1,-0.2 3,-0.3 0.974 110.8 50.2 -45.5 -59.3 55.8 3.5 69.4 36 40 A G H >X S+ 0 0 17 -4,-3.9 3,-1.7 1,-0.2 4,-1.0 0.908 107.1 52.2 -43.0 -52.5 58.6 6.0 70.4 37 41 A M H >X S+ 0 0 1 -4,-3.2 4,-2.0 1,-0.3 3,-1.2 0.914 104.1 58.2 -58.8 -40.4 59.6 4.0 73.5 38 42 A G H 3< S+ 0 0 2 -4,-2.3 -1,-0.3 -3,-0.3 -2,-0.2 0.626 101.3 54.8 -67.0 -15.7 59.9 0.9 71.3 39 43 A T H << S+ 0 0 71 -3,-1.7 -1,-0.3 -4,-0.8 -2,-0.2 0.702 110.0 49.1 -82.4 -21.0 62.5 2.7 69.1 40 44 A R H << S+ 0 0 86 -3,-1.2 2,-0.4 -4,-1.0 -2,-0.2 0.790 122.6 23.5 -83.5 -34.5 64.5 3.4 72.3 41 45 A I S < S+ 0 0 32 -4,-2.0 -1,-0.3 2,-0.0 70,-0.0 -0.978 74.8 171.3-139.3 130.6 64.5 -0.2 73.8 42 46 A M - 0 0 101 -2,-0.4 -3,-0.1 -3,-0.1 69,-0.0 -0.919 29.4-120.0-140.1 151.4 64.0 -3.4 71.7 43 47 A P - 0 0 14 0, 0.0 3,-0.1 0, 0.0 9,-0.1 -0.450 41.0-100.6 -80.5 169.1 64.2 -7.1 71.9 44 48 A P - 0 0 56 0, 0.0 2,-0.5 0, 0.0 11,-0.0 -0.339 56.8 -76.5 -72.9 167.4 66.6 -9.1 69.7 45 49 A P - 0 0 109 0, 0.0 2,-0.3 0, 0.0 70,-0.1 -0.541 61.0-139.8 -67.7 121.9 65.1 -10.8 66.6 46 50 A C - 0 0 21 -2,-0.5 70,-0.1 1,-0.1 72,-0.1 -0.642 23.3-160.8 -99.4 139.9 63.2 -13.8 68.0 47 51 A Q S S+ 0 0 172 -2,-0.3 2,-0.2 70,-0.0 -1,-0.1 0.824 78.4 18.9 -74.1 -39.6 62.8 -17.4 66.7 48 52 A T S > S- 0 0 70 1,-0.1 4,-2.0 0, 0.0 5,-0.1 -0.788 73.5-113.9-131.2 174.3 59.7 -18.3 68.7 49 53 A V H > S+ 0 0 46 -2,-0.2 4,-2.3 2,-0.2 5,-0.1 0.840 117.7 54.5 -74.6 -35.4 56.8 -16.8 70.6 50 54 A D H > S+ 0 0 104 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.914 109.3 46.7 -70.8 -39.3 58.1 -18.2 73.8 51 55 A K H > S+ 0 0 93 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.942 110.1 53.1 -62.0 -45.5 61.5 -16.6 73.2 52 56 A L H X S+ 0 0 9 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.905 105.7 56.8 -57.9 -36.1 59.8 -13.3 72.3 53 57 A Q H X S+ 0 0 45 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.934 107.4 44.1 -62.0 -50.6 57.9 -13.5 75.6 54 58 A I H X S+ 0 0 104 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.936 114.4 52.6 -58.0 -45.9 61.0 -13.8 77.8 55 59 A E H X S+ 0 0 67 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.917 110.4 45.6 -57.0 -45.3 62.6 -11.0 75.8 56 60 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.919 110.5 54.0 -68.4 -40.4 59.7 -8.7 76.2 57 61 A N H X S+ 0 0 36 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.861 104.7 54.4 -61.4 -34.9 59.4 -9.4 79.9 58 62 A A H X S+ 0 0 54 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.883 108.5 50.4 -63.1 -36.1 63.1 -8.5 80.3 59 63 A L H X S+ 0 0 20 -4,-1.4 4,-0.8 -5,-0.2 -2,-0.2 0.929 111.6 45.8 -70.7 -41.3 62.3 -5.2 78.7 60 64 A L H >X>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 4,-0.8 0.860 110.5 54.3 -67.1 -35.3 59.4 -4.6 81.0 61 65 A A H 3<5S+ 0 0 71 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.860 100.6 63.3 -63.3 -34.0 61.5 -5.6 84.1 62 66 A L H 3<5S+ 0 0 119 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.841 118.4 22.8 -63.2 -35.3 64.0 -3.1 83.0 63 67 A I H <<5S- 0 0 12 -4,-0.8 92,-2.6 -3,-0.5 -1,-0.3 0.249 107.4-115.4-117.7 7.6 61.6 -0.2 83.5 64 68 A G T <5 + 0 0 30 -4,-0.8 -3,-0.2 -3,-0.4 -4,-0.1 0.789 67.8 140.2 64.8 33.3 59.2 -1.9 86.0 65 69 A W < - 0 0 0 -5,-2.1 2,-0.3 1,-0.3 -4,-0.1 0.289 61.8-103.7 -96.3 12.7 56.2 -1.8 83.7 66 70 A G - 0 0 17 -6,-0.4 2,-0.3 20,-0.1 -1,-0.3 -0.691 41.0 -66.4 109.9-157.9 54.8 -5.2 84.6 67 71 A T E -A 84 0A 66 17,-1.5 17,-3.3 -2,-0.3 2,-0.3 -0.938 36.3-158.7-137.8 162.4 54.8 -8.6 82.9 68 72 A V E -A 83 0A 3 -2,-0.3 2,-0.3 15,-0.3 15,-0.2 -0.984 8.2-153.5-144.8 145.2 53.2 -10.1 79.7 69 73 A T E -A 82 0A 72 13,-1.9 13,-1.8 -2,-0.3 2,-0.4 -0.869 14.1-150.8-110.5 154.6 52.2 -13.4 78.2 70 74 A L E -A 81 0A 14 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.991 12.0-175.2-125.6 127.5 52.1 -14.1 74.5 71 75 A E E -A 80 0A 94 9,-2.1 9,-2.5 -2,-0.4 2,-0.6 -0.982 15.1-150.8-126.6 129.8 49.7 -16.6 72.9 72 76 A L E -A 79 0A 90 -2,-0.5 2,-0.4 7,-0.2 7,-0.2 -0.866 16.2-154.9 -96.8 120.5 49.6 -17.6 69.3 73 77 A L - 0 0 28 5,-3.5 -2,-0.0 -2,-0.6 0, 0.0 -0.817 7.2-164.6 -98.4 133.3 46.1 -18.6 68.3 74 78 A S S S+ 0 0 96 -2,-0.4 -1,-0.2 3,-0.1 5,-0.0 0.954 75.1 70.0 -82.3 -50.9 45.7 -20.9 65.4 75 79 A E S S+ 0 0 173 2,-0.1 2,-0.3 3,-0.0 -1,-0.1 0.823 123.6 12.1 -42.5 -58.9 42.0 -20.8 64.3 76 80 A D S S- 0 0 72 2,-0.1 2,-0.7 68,-0.0 -3,-0.0 -0.837 101.4-109.2-102.0 159.5 42.5 -17.3 63.1 77 81 A Q S S+ 0 0 110 -2,-0.3 -3,-0.1 68,-0.1 68,-0.1 0.076 70.9 134.3 -84.6 37.3 46.2 -16.4 62.9 78 82 A S - 0 0 0 -2,-0.7 -5,-3.5 66,-0.1 2,-0.5 -0.248 49.8-135.0 -92.3 167.8 46.3 -13.9 65.9 79 83 A L E -AB 72 143A 9 64,-2.5 64,-2.1 -7,-0.2 2,-0.5 -0.963 13.8-149.8-127.4 113.8 48.4 -13.2 68.9 80 84 A R E -AB 71 142A 65 -9,-2.5 -9,-2.1 -2,-0.5 2,-0.5 -0.712 12.0-162.9 -87.0 121.8 46.8 -12.6 72.4 81 85 A I E -AB 70 141A 0 60,-3.7 60,-2.7 -2,-0.5 2,-0.6 -0.919 5.7-171.7-109.9 123.0 48.8 -10.3 74.6 82 86 A V E -AB 69 140A 17 -13,-1.8 -13,-1.9 -2,-0.5 2,-0.6 -0.952 4.9-170.1-117.6 113.3 48.1 -10.2 78.4 83 87 A H E -AB 68 139A 0 56,-3.2 56,-2.3 -2,-0.6 3,-0.4 -0.885 4.6-159.4-105.2 122.4 49.8 -7.5 80.3 84 88 A E E +A 67 0A 94 -17,-3.3 -17,-1.5 -2,-0.6 54,-0.2 -0.774 67.3 15.7 -97.2 149.4 49.7 -7.5 84.1 85 89 A N - 0 0 100 -2,-0.3 -1,-0.2 -19,-0.2 53,-0.2 0.823 64.9-168.2 60.3 45.5 50.4 -4.4 86.2 86 90 A L - 0 0 3 51,-2.5 -1,-0.2 -3,-0.4 -20,-0.1 -0.393 43.1 -98.7 -45.6 123.9 50.1 -1.5 83.8 87 91 A P - 0 0 8 0, 0.0 2,-0.4 0, 0.0 13,-0.4 -0.363 40.4-137.2 -53.3 132.6 51.6 1.3 85.9 88 92 A Q - 0 0 71 11,-0.1 2,-0.2 -3,-0.1 10,-0.1 -0.783 21.8-176.7 -92.9 136.0 48.7 3.2 87.4 89 93 A V > - 0 0 1 1,-0.5 3,-0.5 -2,-0.4 8,-0.1 -0.546 58.7 -62.6-129.2 70.0 48.8 7.0 87.5 90 94 A G T 3 S- 0 0 2 1,-0.2 -1,-0.5 -2,-0.2 9,-0.3 -0.326 83.1 -47.9 83.2-171.6 45.7 8.2 89.3 91 95 A S T 3 S+ 0 0 4 5,-0.1 -1,-0.2 416,-0.1 2,-0.1 0.184 91.7 118.3 -94.3 14.3 42.1 7.6 88.3 92 96 A A < > + 0 0 7 -3,-0.5 5,-1.7 4,-0.2 7,-1.3 -0.456 49.3 39.7 -77.2 150.9 42.2 8.7 84.6 93 97 A G T 5S- 0 0 4 3,-0.2 6,-0.2 5,-0.2 7,-0.0 -0.308 91.8 -38.3 108.5 178.3 41.4 6.4 81.6 94 98 A E T 5S+ 0 0 80 4,-0.3 2,-0.2 2,-0.1 -1,-0.1 -0.905 134.5 15.3-129.1 107.2 39.0 3.6 80.5 95 99 A P T > 5S- 0 0 63 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.660 119.4 -92.2 -74.5 177.0 38.5 1.9 82.9 96 100 A S T 3 5S+ 0 0 14 1,-0.2 -3,-0.2 -2,-0.2 -4,-0.2 -0.279 111.6 31.8 -60.8 129.6 39.9 4.2 85.7 97 101 A G T 3 > S+ 0 0 0 -13,-0.4 3,-2.1 -3,-0.2 4,-0.9 0.685 78.9 100.3 -77.5 -15.4 48.7 4.5 80.2 101 105 A A H X> S+ 0 0 0 -3,-2.0 3,-1.3 1,-0.3 4,-1.0 0.820 74.1 56.3 -43.2 -51.6 47.2 1.5 78.4 102 106 A P H 3> S+ 0 0 1 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.831 95.9 66.6 -56.3 -28.2 47.4 2.9 74.8 103 107 A V H <> S+ 0 0 0 -3,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.923 97.2 57.7 -51.2 -42.2 51.2 3.3 75.3 104 108 A L H < S+ 0 0 0 -4,-2.7 3,-2.0 -5,-0.2 6,-0.3 0.898 112.6 53.7 -89.0 -46.6 56.5 -7.2 67.7 113 117 A T H 3< S+ 0 0 49 -4,-1.7 -2,-0.2 -5,-0.5 7,-0.2 0.915 100.7 63.1 -51.4 -46.1 56.5 -5.5 64.2 114 118 A S T 3< S+ 0 0 66 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.753 88.1 110.7 -41.9 -27.7 60.3 -5.2 64.6 115 119 A Q S < S- 0 0 12 -3,-2.0 2,-0.7 -5,-0.2 5,-0.1 -0.160 82.0-113.7 -68.5 144.1 60.2 -9.0 64.6 116 120 A A S S- 0 0 77 1,-0.2 -1,-0.1 -70,-0.1 3,-0.1 -0.694 102.7 -9.6 -75.1 114.7 61.5 -11.2 61.9 117 121 A G S S+ 0 0 58 -2,-0.7 2,-1.1 1,-0.2 -1,-0.2 0.334 96.7 118.1 69.0 -3.5 58.3 -12.8 60.6 118 122 A A S S- 0 0 19 -6,-0.3 -1,-0.2 -5,-0.1 -3,-0.1 -0.877 89.9-107.7 -77.5 106.2 56.0 -11.5 63.4 119 123 A F > - 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0 0 88 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.075 37.7-106.0 -52.4 155.3 73.5 24.5 110.8 446 142 C R T 3 S+ 0 0 95 1,-0.3 -2,-0.0 -4,-0.0 0, 0.0 0.816 118.9 43.7 -50.0 -41.0 69.8 24.6 111.2 447 143 C Q T 3 S+ 0 0 28 2,-0.1 -51,-2.6 -49,-0.0 2,-0.6 0.249 88.5 104.0 -95.3 11.4 69.6 21.0 112.4 448 144 C T < - 0 0 16 -3,-2.3 2,-0.4 -53,-0.2 -54,-0.2 -0.862 53.4-165.0 -95.0 125.1 72.6 21.1 114.8 449 145 C I E -I 393 0D 2 -56,-2.1 -56,-3.3 -2,-0.6 2,-0.5 -0.935 3.1-158.5-113.1 132.2 71.6 21.3 118.4 450 146 C I E +I 392 0D 15 -13,-0.5 -13,-2.5 -2,-0.4 2,-0.3 -0.943 17.1 175.4-113.5 125.1 74.1 22.2 121.1 451 147 C M E -IJ 391 436D 0 -60,-3.2 -60,-3.1 -2,-0.5 2,-0.4 -0.932 19.4-144.0-132.3 156.8 73.5 21.2 124.7 452 148 C Y E -IJ 390 435D 42 -17,-3.8 -17,-2.1 -2,-0.3 2,-0.5 -0.961 4.5-166.0-120.3 138.8 75.3 21.4 128.1 453 149 C M E +IJ 389 434D 0 -64,-2.6 -64,-2.9 -2,-0.4 -19,-0.2 -0.977 31.6 152.6-118.7 113.9 75.2 18.9 130.9 454 150 C R 0 0 98 -21,-1.2 -1,-0.1 -2,-0.5 -20,-0.1 0.675 360.0 360.0-132.2 -14.1 76.7 20.8 133.8 455 151 C V 0 0 117 -22,-0.2 -23,-0.3 -26,-0.1 -24,-0.1 0.664 360.0 360.0-145.2 360.0 76.0 20.2 137.6 456 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 457 5 D E 0 0 226 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.1 71.2 7.6 104.6 458 6 D K - 0 0 190 1,-0.2 3,-0.1 3,-0.0 -84,-0.0 -0.053 360.0 -85.8 -72.6-165.5 67.6 6.5 105.0 459 7 D K - 0 0 133 1,-0.1 -1,-0.2 -62,-0.0 -84,-0.1 -0.674 59.4 -87.6 -90.9 162.7 65.2 9.0 106.5 460 8 D P - 0 0 39 0, 0.0 2,-0.5 0, 0.0 -86,-0.2 -0.247 41.1-114.4 -63.8 163.4 65.1 8.9 110.3 461 9 D D - 0 0 43 -88,-3.1 4,-0.3 1,-0.1 3,-0.1 -0.862 27.6-180.0-104.8 127.4 62.7 6.5 112.1 462 10 D F > + 0 0 5 -2,-0.5 4,-3.3 2,-0.1 5,-0.3 0.522 59.5 96.2-102.9 -0.3 59.8 8.0 114.2 463 11 D T H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.934 87.2 45.9 -55.3 -52.2 58.4 4.7 115.4 464 12 D L H > S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.927 113.5 50.3 -52.9 -49.3 60.2 4.8 118.7 465 13 D F H > S+ 0 0 0 -4,-0.3 4,-4.4 1,-0.2 -2,-0.2 0.929 112.1 46.3 -60.0 -47.6 59.4 8.4 119.2 466 14 D L H X S+ 0 0 0 -4,-3.3 4,-2.9 2,-0.2 5,-0.2 0.820 108.3 56.7 -68.7 -30.0 55.6 7.9 118.6 467 15 D Q H X S+ 0 0 50 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.986 117.2 34.6 -58.1 -54.4 55.6 4.9 120.8 468 16 D T H X S+ 0 0 5 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.918 116.8 55.2 -71.2 -38.5 56.9 7.0 123.6 469 17 D L H X S+ 0 0 0 -4,-4.4 4,-2.3 -5,-0.2 -1,-0.2 0.913 108.0 48.5 -60.5 -42.9 54.9 10.1 122.5 470 18 D S H X S+ 0 0 1 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.877 109.8 54.2 -64.1 -34.7 51.6 8.2 122.5 471 19 D W H X S+ 0 0 131 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.976 110.5 45.0 -61.3 -54.9 52.5 6.9 126.0 472 20 D E H X S+ 0 0 29 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.920 113.6 48.5 -54.1 -50.7 53.1 10.4 127.4 473 21 D I H >X S+ 0 0 11 -4,-2.3 4,-1.6 1,-0.2 3,-0.9 0.976 112.0 49.1 -58.6 -52.6 50.0 11.9 125.8 474 22 D D H 3< S+ 0 0 51 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.825 109.0 55.1 -54.3 -33.2 47.8 9.0 127.1 475 23 D D H 3< S+ 0 0 118 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.881 118.2 31.0 -66.4 -36.1 49.3 9.5 130.5 476 24 D Q H << S+ 0 0 121 -4,-1.6 2,-0.3 -3,-0.9 -2,-0.2 0.566 120.9 43.7 -99.4 -14.6 48.4 13.1 130.8 477 25 D V S < S- 0 0 50 -4,-1.6 -1,-0.1 -5,-0.2 0, 0.0 -0.982 84.6-104.6-145.6 135.9 45.3 13.5 128.8 478 26 D G > - 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