==== 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 TRANSFERASE 05-DEC-05 2F9F . COMPND 2 MOLECULE: FIRST MANNOSYL TRANSFERASE (WBAZ-1); . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR W.ZHOU,F.FOROUHAR,K.CONOVER,R.XIAO,T.B.ACTON,G.T.MONTELIONE, . 166 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.2 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 0.6 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 . 14 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 0 0 1 0 1 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 2 A V 0 0 72 0, 0.0 2,-0.3 0, 0.0 165,-0.2 0.000 360.0 360.0 360.0 116.2 22.0 19.2 53.9 2 3 A E + 0 0 140 1,-0.1 162,-0.0 164,-0.1 0, 0.0 -0.543 360.0 159.8 -75.5 133.5 19.2 21.6 54.6 3 4 A T > + 0 0 31 -2,-0.3 3,-0.9 2,-0.1 -1,-0.1 0.242 44.5 100.2-137.3 10.9 17.4 23.0 51.6 4 5 A S T 3 S+ 0 0 102 1,-0.2 -2,-0.0 3,-0.0 -1,-0.0 0.782 79.0 58.7 -71.1 -27.6 14.1 24.2 53.0 5 6 A K T 3 S+ 0 0 86 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.527 89.3 90.4 -81.6 -4.5 15.2 27.8 53.1 6 7 A F < + 0 0 15 -3,-0.9 2,-0.3 78,-0.0 76,-0.1 -0.650 53.9 171.5 -92.9 149.6 15.9 28.0 49.3 7 8 A K - 0 0 98 74,-0.3 2,-0.4 -2,-0.3 -2,-0.0 -0.932 30.6-106.1-148.7 173.6 13.3 29.0 46.8 8 9 A F + 0 0 60 -2,-0.3 78,-0.1 1,-0.1 77,-0.1 -0.852 35.9 153.2-106.4 137.2 12.6 29.8 43.1 9 10 A K - 0 0 105 76,-1.9 2,-0.3 -2,-0.4 77,-0.2 0.610 63.2 -42.3-123.6 -55.5 12.0 33.3 41.8 10 11 A C - 0 0 54 75,-2.2 2,-1.1 77,-0.1 -1,-0.4 -0.985 47.7 -99.4-168.7 167.9 13.0 33.5 38.2 11 12 A Y - 0 0 47 -2,-0.3 77,-0.3 -3,-0.1 76,-0.2 -0.806 55.3-166.3 -99.6 88.5 15.6 32.5 35.6 12 13 A G - 0 0 17 74,-2.3 75,-0.0 -2,-1.1 74,-0.0 0.052 32.6 -99.3 -67.2-178.2 17.4 35.8 35.6 13 14 A D S S+ 0 0 88 74,-0.1 2,-0.4 75,-0.1 28,-0.2 -0.056 94.3 79.6 -96.8 32.8 20.0 37.0 33.0 14 15 A F - 0 0 5 72,-0.3 74,-3.0 26,-0.1 75,-0.6 -0.999 66.9-138.3-140.9 143.4 23.0 36.2 35.1 15 16 A W E -ab 42 89A 0 26,-3.6 28,-2.8 -2,-0.4 2,-0.3 -0.664 22.7-145.4 -93.9 155.5 25.0 33.1 35.9 16 17 A L E -ab 43 90A 0 73,-2.2 75,-2.8 -2,-0.3 2,-0.4 -0.929 17.0-177.5-124.8 146.1 26.2 32.4 39.4 17 18 A S E -a 44 0A 0 26,-1.7 28,-2.9 -2,-0.3 2,-0.6 -0.988 11.6-157.7-140.1 134.1 29.3 30.8 40.8 18 19 A V E +a 45 0A 27 -2,-0.4 2,-0.3 73,-0.3 28,-0.2 -0.933 43.8 114.7-116.8 104.0 29.9 30.4 44.6 19 20 A N - 0 0 9 26,-2.7 -2,-0.1 -2,-0.6 6,-0.0 -0.867 63.8-106.7-172.1 134.3 33.6 30.0 45.4 20 21 A R - 0 0 117 -2,-0.3 2,-2.0 1,-0.1 28,-0.2 -0.203 48.2-100.3 -58.7 156.7 36.3 31.8 47.2 21 22 A I S S+ 0 0 0 26,-2.0 37,-0.1 3,-0.1 -1,-0.1 -0.489 77.4 128.2 -84.5 72.6 38.9 33.5 44.9 22 23 A Y S > >S- 0 0 50 -2,-2.0 3,-2.0 35,-0.1 5,-0.5 -0.897 71.0-111.3-125.7 154.9 41.6 30.8 45.2 23 24 A P G > 5S+ 0 0 67 0, 0.0 3,-1.8 0, 0.0 5,-0.1 0.843 113.5 62.5 -50.8 -40.6 43.6 28.8 42.6 24 25 A E G 3 5S+ 0 0 72 1,-0.3 71,-2.3 2,-0.1 72,-0.5 0.626 95.4 62.1 -64.0 -14.5 41.9 25.6 43.5 25 26 A K G < 5S- 0 0 21 -3,-2.0 68,-0.3 69,-0.2 -1,-0.3 0.559 99.6-134.4 -88.3 -9.4 38.5 27.1 42.4 26 27 A R T X>5 + 0 0 44 -3,-1.8 4,-1.2 -4,-0.3 3,-0.8 0.894 42.0 163.6 57.3 43.2 39.7 27.6 38.8 27 28 A I H 3>< + 0 0 0 -5,-0.5 4,-2.1 1,-0.2 3,-0.2 0.888 68.7 65.6 -58.5 -36.4 38.3 31.1 38.6 28 29 A E H 3> S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.870 96.9 54.5 -53.2 -41.0 40.5 31.7 35.5 29 30 A L H <> S+ 0 0 23 -3,-0.8 4,-1.7 1,-0.2 -1,-0.2 0.930 106.6 50.6 -59.1 -47.3 38.4 29.1 33.6 30 31 A Q H X S+ 0 0 0 -4,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.895 109.1 52.3 -58.6 -41.1 35.2 30.9 34.4 31 32 A L H X S+ 0 0 1 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.908 106.2 52.5 -61.7 -43.7 36.7 34.2 33.2 32 33 A E H X S+ 0 0 82 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.849 107.2 54.9 -61.2 -36.1 37.8 32.7 29.9 33 34 A V H >X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 3,-0.9 0.956 111.1 41.8 -63.4 -51.0 34.2 31.5 29.4 34 35 A F H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 6,-0.2 0.673 102.4 68.1 -75.0 -13.3 32.7 34.9 29.8 35 36 A K H 3< S+ 0 0 80 -4,-1.5 -1,-0.2 -5,-0.2 3,-0.2 0.806 111.6 36.2 -70.8 -27.1 35.4 36.6 27.8 36 37 A K H << S+ 0 0 129 -3,-0.9 2,-1.6 -4,-0.8 -2,-0.2 0.843 112.0 59.1 -90.4 -40.7 33.8 34.7 24.9 37 38 A L >< + 0 0 10 -4,-2.1 3,-2.0 1,-0.2 -1,-0.2 -0.524 61.0 161.3 -89.5 69.5 30.2 34.9 26.0 38 39 A Q T 3 S+ 0 0 158 -2,-1.6 -1,-0.2 1,-0.3 -4,-0.1 0.635 71.2 62.3 -64.7 -13.1 30.1 38.7 26.0 39 40 A D T 3 S+ 0 0 118 -3,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.393 97.7 69.7 -92.3 0.8 26.3 38.4 25.9 40 41 A E S < S- 0 0 29 -3,-2.0 2,-0.4 -6,-0.2 -26,-0.1 -0.704 70.8-140.6-114.3 167.9 26.1 36.6 29.2 41 42 A K - 0 0 94 -2,-0.2 -26,-3.6 -28,-0.2 2,-0.4 -0.981 7.0-159.2-132.7 142.7 26.8 37.8 32.8 42 43 A L E -ac 15 69A 0 26,-2.5 28,-3.0 -2,-0.4 2,-0.6 -0.985 2.3-164.8-125.9 129.8 28.5 36.2 35.7 43 44 A Y E -ac 16 70A 44 -28,-2.8 -26,-1.7 -2,-0.4 2,-0.6 -0.965 13.8-157.3-111.0 119.6 28.1 37.1 39.4 44 45 A I E -ac 17 71A 0 26,-3.2 28,-2.4 -2,-0.6 29,-0.8 -0.884 3.2-160.7-104.3 121.5 30.8 35.5 41.6 45 46 A V E +ac 18 73A 10 -28,-2.9 -26,-2.7 -2,-0.6 2,-0.2 -0.889 51.9 73.8-100.0 120.5 30.2 35.1 45.3 46 47 A G B -D 73 0A 4 27,-1.8 27,-0.6 -2,-0.6 2,-0.2 -0.566 46.4-167.2 149.1 147.2 33.4 34.7 47.3 47 48 A W - 0 0 89 -2,-0.2 -26,-2.0 26,-0.2 2,-0.3 -0.444 18.0-114.9-133.9-150.6 36.3 36.7 48.6 48 49 A F - 0 0 17 -28,-0.2 2,-0.7 -2,-0.2 26,-0.1 -0.942 32.3 -88.3-150.5 169.3 39.7 36.2 50.1 49 50 A S > - 0 0 53 -2,-0.3 3,-2.1 1,-0.0 6,-0.3 -0.758 43.4-127.0 -89.4 112.8 41.6 36.8 53.3 50 51 A K T 3 S+ 0 0 169 -2,-0.7 3,-0.1 1,-0.3 4,-0.0 -0.268 94.5 22.8 -56.2 138.0 43.3 40.2 53.4 51 52 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 2,-0.1 2,-0.2 0.229 99.7 116.3 88.7 -15.1 47.0 40.1 54.2 52 53 A D S X S- 0 0 85 -3,-2.1 3,-1.9 1,-0.1 -1,-0.3 -0.486 79.5-113.0 -86.6 158.1 47.2 36.5 53.0 53 54 A H T >> S+ 0 0 165 1,-0.3 3,-1.6 2,-0.2 4,-0.6 0.811 111.9 70.5 -57.4 -32.9 49.2 35.3 50.0 54 55 A A H 3> S+ 0 0 11 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.683 79.6 79.9 -59.7 -18.4 46.0 34.4 48.1 55 56 A E H <> S+ 0 0 39 -3,-1.9 4,-2.8 -6,-0.3 -1,-0.3 0.871 87.0 55.1 -58.6 -37.9 45.4 38.1 47.8 56 57 A R H <> S+ 0 0 181 -3,-1.6 4,-2.0 -4,-0.3 -1,-0.2 0.940 110.9 44.2 -61.1 -47.3 47.9 38.4 44.9 57 58 A Y H X S+ 0 0 29 -4,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.908 113.2 52.5 -62.7 -43.8 46.0 35.7 43.0 58 59 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.938 110.9 44.8 -59.6 -50.1 42.6 37.3 43.8 59 60 A R H X S+ 0 0 149 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.872 111.7 53.9 -64.5 -35.1 43.6 40.7 42.6 60 61 A K H X S+ 0 0 99 -4,-2.0 4,-1.9 -5,-0.2 3,-0.5 0.933 107.9 50.7 -62.8 -46.1 45.1 39.3 39.5 61 62 A I H X S+ 0 0 1 -4,-2.4 4,-1.2 1,-0.2 3,-0.2 0.942 109.1 50.7 -56.4 -49.6 41.9 37.5 38.7 62 63 A X H < S+ 0 0 55 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.746 110.6 49.5 -64.1 -23.3 39.8 40.6 39.2 63 64 A K H < S+ 0 0 157 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.809 113.0 44.7 -85.6 -30.9 42.1 42.6 36.8 64 65 A I H < S+ 0 0 58 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.584 91.2 107.7 -87.7 -9.4 42.0 40.0 34.0 65 66 A A S < S- 0 0 19 -4,-1.2 -33,-0.1 -5,-0.2 -34,-0.0 -0.405 72.9-116.0 -71.1 142.8 38.2 39.5 34.3 66 67 A P > - 0 0 27 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.222 30.0-101.5 -72.0 168.3 36.0 40.9 31.5 67 68 A D T 3 S+ 0 0 163 1,-0.3 -2,-0.1 -32,-0.1 -32,-0.1 0.696 116.9 66.7 -64.7 -21.4 33.4 43.6 32.2 68 69 A N T 3 S+ 0 0 30 -34,-0.1 -26,-2.5 -27,-0.1 2,-0.5 0.299 86.4 86.7 -85.6 11.8 30.6 41.1 32.2 69 70 A V E < -c 42 0A 13 -3,-1.4 2,-0.5 -28,-0.2 -26,-0.2 -0.952 61.4-163.2-115.2 127.7 31.9 39.5 35.4 70 71 A K E -c 43 0A 117 -28,-3.0 -26,-3.2 -2,-0.5 2,-0.8 -0.941 10.0-150.7-114.4 129.5 31.0 40.9 38.8 71 72 A F E +c 44 0A 50 -2,-0.5 -26,-0.2 -28,-0.2 -28,-0.1 -0.855 16.8 176.4 -99.4 104.7 32.8 40.1 42.0 72 73 A L E - 0 0 72 -28,-2.4 -27,-0.2 -2,-0.8 2,-0.2 0.743 24.0-155.6 -80.2 -24.5 30.3 40.3 44.9 73 74 A G E -cD 45 46A 6 -29,-0.8 -27,-1.8 -27,-0.6 2,-0.4 -0.506 53.6 -8.7 81.9-155.2 32.7 39.3 47.6 74 75 A S S S- 0 0 73 -29,-0.2 2,-0.2 -2,-0.2 -29,-0.0 -0.665 74.4-171.5 -81.4 127.7 31.4 37.7 50.8 75 76 A V - 0 0 36 -2,-0.4 2,-0.1 1,-0.1 -2,-0.0 -0.740 23.1-105.7-118.0 166.0 27.6 37.8 51.1 76 77 A S > - 0 0 44 -2,-0.2 4,-2.5 1,-0.1 5,-0.1 -0.371 36.5-107.2 -82.1 167.0 25.0 37.0 53.8 77 78 A E H > S+ 0 0 99 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.884 121.4 57.4 -62.9 -36.9 22.8 33.9 53.6 78 79 A E H > S+ 0 0 144 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 109.7 45.0 -57.9 -44.7 19.9 36.1 52.7 79 80 A E H > S+ 0 0 97 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.918 112.4 50.8 -64.7 -46.0 21.8 37.4 49.7 80 81 A L H X S+ 0 0 29 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.945 109.9 49.3 -58.3 -50.8 23.0 33.9 48.7 81 82 A I H X S+ 0 0 14 -4,-3.0 4,-2.3 1,-0.2 -74,-0.3 0.920 113.4 47.5 -54.9 -45.5 19.5 32.5 48.9 82 83 A D H X S+ 0 0 42 -4,-2.0 4,-1.1 -5,-0.2 -1,-0.2 0.916 111.2 50.5 -63.6 -44.2 18.2 35.4 46.7 83 84 A L H >X S+ 0 0 11 -4,-2.9 4,-1.8 1,-0.2 3,-0.8 0.936 111.6 47.6 -60.7 -47.0 21.1 35.0 44.2 84 85 A Y H 3< S+ 0 0 0 -4,-2.9 3,-0.2 1,-0.2 -1,-0.2 0.917 110.4 54.3 -57.9 -43.8 20.4 31.3 43.9 85 86 A S H 3< S+ 0 0 0 -4,-2.3 -75,-2.2 -5,-0.3 -76,-1.9 0.677 117.8 33.4 -66.1 -19.6 16.7 32.1 43.4 86 87 A R H << S+ 0 0 83 -4,-1.1 -74,-2.3 -3,-0.8 -72,-0.3 0.536 90.9 107.3-115.2 -8.8 17.2 34.5 40.6 87 88 A C < - 0 0 0 -4,-1.8 -75,-0.3 -3,-0.2 -72,-0.2 -0.202 69.0-130.6 -69.2 162.4 20.2 33.1 38.6 88 89 A K S S- 0 0 28 -74,-3.0 2,-0.3 1,-0.4 -73,-0.2 0.817 81.3 -43.5 -79.0 -31.6 19.9 31.5 35.2 89 90 A G E -b 15 0A 0 -75,-0.6 -73,-2.2 22,-0.2 -1,-0.4 -0.957 62.3 -90.5 177.8 172.3 22.0 28.6 36.6 90 91 A L E -be 16 113A 1 22,-2.1 24,-3.1 -2,-0.3 2,-0.5 -0.845 24.9-156.8-107.5 139.7 25.1 27.7 38.6 91 92 A L E - e 0 114A 1 -75,-2.8 2,-0.4 -2,-0.4 -73,-0.3 -0.970 11.6-174.0-115.4 125.7 28.6 27.2 37.2 92 93 A C E + e 0 115A 3 22,-2.5 24,-1.7 -2,-0.5 -66,-0.1 -0.984 21.6 152.7-124.2 128.8 31.1 25.1 39.2 93 94 A T + 0 0 0 -2,-0.4 -1,-0.1 -68,-0.3 -64,-0.1 0.363 32.3 126.5-132.1 0.1 34.7 24.7 38.4 94 95 A A - 0 0 1 1,-0.1 -69,-0.2 24,-0.1 22,-0.1 -0.150 41.2-162.9 -63.0 154.6 36.4 23.9 41.7 95 96 A K S S+ 0 0 119 -71,-2.3 -70,-0.1 1,-0.1 -1,-0.1 0.441 84.5 59.0-116.0 -3.2 38.6 20.9 42.3 96 97 A D S S+ 0 0 70 -72,-0.5 2,-0.7 22,-0.1 -1,-0.1 0.079 77.0 99.4-113.8 21.8 38.6 20.9 46.1 97 98 A E + 0 0 36 1,-0.1 23,-2.5 -3,-0.1 24,-0.5 -0.901 37.2 166.6-111.1 104.3 34.8 20.6 46.7 98 99 A D + 0 0 101 -2,-0.7 -1,-0.1 21,-0.3 25,-0.1 0.558 69.1 51.8 -95.4 -6.5 33.9 17.0 47.5 99 100 A F S S- 0 0 155 20,-0.0 -1,-0.1 21,-0.0 -2,-0.0 0.743 87.8-136.1-102.5 -26.1 30.4 17.4 48.8 100 101 A G > + 0 0 1 3,-0.1 4,-1.8 24,-0.0 5,-0.1 0.857 44.6 154.5 74.0 35.5 28.6 19.4 46.2 101 102 A L H > + 0 0 68 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.903 69.9 52.8 -62.1 -41.6 26.9 21.8 48.6 102 103 A T H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.913 107.7 49.1 -64.6 -42.3 26.6 24.5 46.0 103 104 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.913 111.0 52.1 -62.7 -39.5 24.9 22.4 43.4 104 105 A I H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.930 110.9 46.2 -60.9 -46.5 22.4 21.1 46.0 105 106 A E H X S+ 0 0 37 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.898 113.8 49.3 -64.7 -40.2 21.5 24.6 47.0 106 107 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-0.7 0.912 112.5 46.5 -66.1 -42.8 21.1 25.7 43.4 107 108 A X H ><5S+ 0 0 0 -4,-2.8 3,-2.5 1,-0.3 -2,-0.2 0.874 105.0 60.0 -68.6 -33.4 18.9 22.8 42.5 108 109 A A H 3<5S+ 0 0 9 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.737 104.0 53.9 -63.1 -19.8 16.8 23.4 45.6 109 110 A S T <<5S- 0 0 0 -3,-0.7 -1,-0.3 -4,-0.6 -100,-0.3 0.341 125.7-107.1 -94.7 5.7 16.2 26.7 44.0 110 111 A G T < 5S+ 0 0 0 -3,-2.5 -3,-0.2 1,-0.2 49,-0.1 0.620 74.6 140.2 79.5 16.5 15.1 25.0 40.8 111 112 A K < - 0 0 0 -5,-2.3 -1,-0.2 -6,-0.1 -22,-0.2 -0.725 52.1-123.1-102.8 141.7 18.2 25.9 38.9 112 113 A P - 0 0 2 0, 0.0 -22,-2.1 0, 0.0 2,-0.4 -0.399 26.6-142.5 -73.0 153.2 20.3 23.8 36.4 113 114 A V E -ef 90 131A 0 17,-1.7 19,-2.2 -24,-0.2 2,-0.6 -0.976 13.1-165.7-125.4 129.5 24.0 23.3 37.2 114 115 A I E +ef 91 132A 0 -24,-3.1 -22,-2.5 -2,-0.4 2,-0.3 -0.958 30.9 157.7-110.3 118.9 26.9 23.2 34.8 115 116 A A E -ef 92 133A 1 17,-2.3 19,-2.5 -2,-0.6 -22,-0.2 -0.980 46.7 -95.7-145.6 156.6 29.9 21.7 36.6 116 117 A V E - f 0 134A 0 -24,-1.7 2,-2.4 -2,-0.3 19,-0.2 -0.400 48.6-108.2 -65.8 144.2 33.2 20.0 36.0 117 118 A N S S+ 0 0 77 17,-2.9 2,-0.3 4,-0.1 -1,-0.1 -0.425 83.7 101.4 -76.3 66.8 32.9 16.2 36.3 118 119 A E S >> S- 0 0 61 -2,-2.4 3,-1.4 -24,-0.1 4,-1.3 -0.973 72.5 -22.3-149.0 160.1 34.8 16.1 39.7 119 120 A G H 3> S- 0 0 33 -2,-0.3 4,-1.1 1,-0.3 3,-0.4 0.045 120.5 -6.7 42.4-136.2 34.2 15.7 43.4 120 121 A G H 3> S+ 0 0 0 -23,-2.5 4,-0.6 1,-0.2 -1,-0.3 0.673 129.1 65.9 -64.7 -17.8 30.9 16.6 44.9 121 122 A F H X> S+ 0 0 1 -3,-1.4 4,-2.6 -24,-0.5 3,-1.2 0.949 102.3 46.3 -69.7 -46.2 29.7 18.0 41.6 122 123 A K H 3< S+ 0 0 105 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.801 112.1 54.0 -63.7 -28.3 29.7 14.5 40.0 123 124 A E H 3< S+ 0 0 110 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.553 121.0 26.7 -83.8 -9.5 28.0 13.2 43.2 124 125 A T H << S+ 0 0 0 -3,-1.2 2,-0.2 -4,-0.6 -2,-0.2 0.722 103.6 75.2-118.6 -45.3 25.1 15.6 43.0 125 126 A V < - 0 0 5 -4,-2.6 2,-0.7 -5,-0.2 -1,-0.1 -0.527 64.2-148.4 -76.8 137.3 24.5 16.8 39.4 126 127 A I >>> - 0 0 50 -2,-0.2 3,-2.5 -3,-0.1 4,-2.5 -0.919 27.4-118.3-108.4 110.0 22.8 14.4 37.0 127 128 A N B 345S+g 131 0A 70 -2,-0.7 5,-0.3 1,-0.3 -13,-0.1 -0.194 93.6 0.1 -50.1 127.5 24.1 14.9 33.5 128 129 A E T 345S+ 0 0 123 3,-2.6 -1,-0.3 1,-0.1 4,-0.2 0.567 129.4 65.8 67.5 12.7 21.3 16.0 31.1 129 130 A K T <45S+ 0 0 122 -3,-2.5 -2,-0.2 2,-0.5 29,-0.2 0.604 119.1 8.2-129.6 -37.3 18.7 15.9 33.9 130 131 A T T <5S- 0 0 0 -4,-2.5 -17,-1.7 1,-0.3 2,-0.3 0.135 132.5 -52.9-131.0 16.1 19.6 18.6 36.5 131 132 A G E - 0 0 63 -2,-2.6 4,-2.3 1,-0.1 5,-0.2 -0.981 59.8-142.4-144.6 125.3 37.2 23.0 29.4 138 139 A V H > S+ 0 0 31 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.907 103.3 45.9 -51.2 -50.5 36.1 26.4 28.1 139 140 A N H > S+ 0 0 93 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 111.9 50.6 -64.7 -41.3 34.4 25.1 25.0 140 141 A E H > S+ 0 0 65 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.886 111.5 48.7 -63.4 -40.3 32.5 22.3 26.9 141 142 A I H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.928 110.9 50.1 -65.6 -44.8 31.2 24.7 29.5 142 143 A I H X S+ 0 0 10 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.908 108.8 52.0 -61.3 -42.3 30.0 27.2 26.9 143 144 A D H X S+ 0 0 80 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.913 111.5 47.2 -60.8 -41.5 28.2 24.5 24.9 144 145 A A H X S+ 0 0 2 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.905 111.3 51.1 -65.5 -43.4 26.4 23.4 28.1 145 146 A X H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.882 105.9 55.4 -62.4 -38.9 25.5 27.0 29.0 146 147 A K H X S+ 0 0 109 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.837 104.6 54.2 -64.0 -33.0 24.1 27.6 25.5 147 148 A K H X S+ 0 0 97 -4,-1.3 4,-1.2 -3,-0.2 3,-0.5 0.943 108.9 47.5 -65.0 -47.5 21.8 24.6 26.0 148 149 A V H >< S+ 0 0 4 -4,-1.7 3,-0.6 1,-0.2 -2,-0.2 0.907 106.2 59.1 -59.6 -42.7 20.4 26.1 29.2 149 150 A S H 3< S+ 0 0 50 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.839 104.7 50.5 -56.5 -34.7 20.0 29.5 27.6 150 151 A K H 3< S+ 0 0 192 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.796 130.6 14.9 -75.1 -28.8 17.6 27.9 25.0 151 152 A N X< + 0 0 64 -4,-1.2 3,-1.3 -3,-0.6 -1,-0.3 -0.603 68.1 173.9-149.0 81.2 15.5 26.2 27.7 152 153 A P T 3 S+ 0 0 44 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.853 82.5 41.9 -56.7 -44.4 16.0 27.6 31.2 153 154 A D T > S+ 0 0 87 1,-0.2 3,-1.0 2,-0.1 4,-0.3 0.183 79.2 113.6 -93.2 18.1 13.3 25.7 33.0 154 155 A K T < S+ 0 0 109 -3,-1.3 -1,-0.2 1,-0.2 4,-0.1 0.856 89.7 27.7 -55.7 -37.9 14.0 22.4 31.2 155 156 A F T 3> S+ 0 0 15 -3,-0.5 4,-2.8 -4,-0.2 -1,-0.2 0.206 85.3 119.6-111.6 13.9 15.2 20.7 34.4 156 157 A K H <> S+ 0 0 65 -3,-1.0 4,-2.2 1,-0.2 3,-0.2 0.916 80.2 38.2 -44.3 -65.1 13.2 22.7 37.0 157 158 A K H > S+ 0 0 161 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.878 116.4 53.2 -58.8 -39.0 11.1 19.8 38.5 158 159 A D H > S+ 0 0 48 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.871 107.9 51.2 -65.7 -36.5 14.1 17.4 38.3 159 160 A C H X S+ 0 0 0 -4,-2.8 4,-2.3 -3,-0.2 -2,-0.2 0.941 108.0 50.7 -66.8 -46.7 16.3 19.9 40.2 160 161 A F H X S+ 0 0 66 -4,-2.2 4,-0.9 -5,-0.2 -2,-0.2 0.930 113.9 46.8 -55.7 -44.1 13.8 20.4 43.0 161 162 A R H >X S+ 0 0 120 -4,-2.1 3,-1.0 1,-0.2 4,-0.7 0.936 109.1 51.9 -64.1 -48.6 13.6 16.6 43.3 162 163 A R H >< S+ 0 0 47 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.894 104.1 58.5 -56.9 -40.6 17.3 15.9 43.3 163 164 A A H >< S+ 0 0 1 -4,-2.3 3,-1.0 1,-0.3 -1,-0.3 0.799 98.9 59.5 -60.1 -29.3 17.9 18.5 46.0 164 165 A K H << S+ 0 0 168 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.707 89.9 72.2 -71.4 -21.6 15.6 16.5 48.4 165 166 A E T << 0 0 101 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.1 0.317 360.0 360.0 -78.2 7.4 17.8 13.4 48.1 166 167 A F < 0 0 87 -3,-1.0 -2,-0.2 -165,-0.2 -1,-0.2 0.623 360.0 360.0-131.5 360.0 20.5 15.0 50.2