==== 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 OXIDOREDUCTASE 24-SEP-02 1MV8 . COMPND 2 MOLECULE: GDP-MANNOSE 6-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.F.SNOOK,P.A.TIPTON,L.J.BEAMER . 1744 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61431.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1263 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 225 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 1.3 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 0.1 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 . 130 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 155 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 620 35.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 51 2.9 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 8 3 15 4 10 4 7 9 0 0 6 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 8 0 4 23 13 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 . 5 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 3 1 2 2 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 73 0, 0.0 24,-2.9 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 150.2 -44.7 22.7 -49.0 2 2 A R E +a 25 0A 136 22,-0.2 76,-2.5 24,-0.1 77,-0.9 -0.830 360.0 178.5 -81.4 122.1 -46.9 20.0 -50.4 3 3 A I E -ab 26 79A 0 22,-3.1 24,-3.1 -2,-0.6 2,-0.4 -0.977 22.2-157.3-133.0 136.4 -46.5 16.9 -48.2 4 4 A S E -ab 27 80A 0 75,-2.9 77,-2.8 -2,-0.4 2,-0.5 -0.914 9.8-159.8-110.0 140.3 -48.0 13.4 -48.1 5 5 A I E -ab 28 81A 0 22,-2.3 24,-3.4 -2,-0.4 2,-0.7 -0.983 6.2-151.4-122.3 120.6 -48.0 11.4 -44.9 6 6 A F E S+ab 29 82A 3 75,-3.3 77,-3.1 -2,-0.5 24,-0.2 -0.831 73.5 27.2 -94.0 113.9 -48.4 7.6 -45.0 7 7 A G - 0 0 7 22,-3.4 23,-0.2 -2,-0.7 2,-0.2 0.572 60.0-153.7 101.0 110.5 -50.1 6.4 -41.8 8 8 A L + 0 0 1 4,-0.2 -1,-0.1 5,-0.1 76,-0.1 -0.373 53.8 119.1-108.6 50.7 -52.5 8.5 -39.8 9 9 A G S > S- 0 0 19 74,-0.4 4,-2.4 -2,-0.2 5,-0.5 0.114 86.9 -50.9 -92.8-153.0 -51.9 6.9 -36.4 10 10 A Y T 4 S+ 0 0 18 1,-0.2 4,-0.4 2,-0.2 5,-0.0 0.865 142.3 29.2 -54.5 -37.6 -50.7 8.2 -33.1 11 11 A V T > S+ 0 0 35 72,-0.2 4,-2.5 2,-0.1 5,-0.2 0.930 121.8 48.4 -85.8 -52.8 -47.6 9.7 -34.8 12 12 A G H > S+ 0 0 0 71,-0.4 4,-2.6 1,-0.2 -4,-0.2 0.843 108.8 51.4 -61.8 -39.2 -48.9 10.4 -38.3 13 13 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.898 112.0 48.3 -65.6 -40.0 -52.1 12.2 -37.3 14 14 A V H > S+ 0 0 0 -5,-0.5 4,-3.1 -4,-0.4 5,-0.2 0.936 112.1 48.2 -64.9 -46.9 -50.1 14.5 -35.1 15 15 A C H X S+ 0 0 4 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.922 111.2 51.8 -57.8 -44.7 -47.5 15.2 -37.8 16 16 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.925 113.6 43.9 -56.3 -49.2 -50.4 15.9 -40.3 17 17 A G H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.928 115.8 46.4 -62.7 -48.6 -52.0 18.3 -37.9 18 18 A C H X S+ 0 0 0 -4,-3.1 4,-0.7 2,-0.2 -2,-0.2 0.858 113.6 48.3 -65.2 -38.2 -48.7 20.1 -36.9 19 19 A L H ><>S+ 0 0 3 -4,-2.8 5,-1.8 -5,-0.2 3,-0.8 0.930 111.9 47.8 -70.2 -43.9 -47.5 20.4 -40.5 20 20 A S H ><5S+ 0 0 1 -4,-2.1 3,-1.7 -5,-0.3 -2,-0.2 0.864 106.3 59.5 -64.7 -33.9 -50.7 21.8 -41.8 21 21 A A H 3<5S+ 0 0 45 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.751 102.1 54.2 -65.0 -22.8 -50.8 24.3 -38.9 22 22 A R T <<5S- 0 0 105 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.325 130.0 -94.6 -93.9 6.7 -47.5 25.6 -40.1 23 23 A G T < 5S+ 0 0 36 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.358 78.5 137.3 102.7 -6.2 -48.9 26.3 -43.6 24 24 A H < - 0 0 26 -5,-1.8 2,-0.8 1,-0.1 -1,-0.3 -0.330 57.3-121.4 -70.3 154.4 -47.9 23.1 -45.5 25 25 A E E -a 2 0A 99 -24,-2.9 -22,-3.1 39,-0.0 2,-0.5 -0.890 39.4-166.3 -97.9 111.6 -50.4 21.5 -47.8 26 26 A V E -ac 3 64A 3 37,-3.0 39,-1.6 -2,-0.8 2,-0.6 -0.858 21.3-168.3-113.2 130.0 -50.8 18.0 -46.4 27 27 A I E -ac 4 65A 30 -24,-3.1 -22,-2.3 -2,-0.5 2,-0.3 -0.949 16.5-152.9-113.0 113.0 -52.3 14.9 -47.8 28 28 A G E -ac 5 66A 0 37,-3.4 39,-2.3 -2,-0.6 2,-0.4 -0.692 9.8-163.7 -85.3 136.9 -52.8 12.1 -45.3 29 29 A V E +ac 6 67A 6 -24,-3.4 -22,-3.4 -2,-0.3 2,-0.3 -0.977 18.6 152.4-123.5 133.5 -52.8 8.5 -46.6 30 30 A D - 0 0 24 37,-1.5 6,-0.0 -2,-0.4 -24,-0.0 -0.984 46.8-133.5-154.2 152.3 -54.0 5.4 -44.8 31 31 A V S S+ 0 0 126 -2,-0.3 2,-0.7 38,-0.0 37,-0.1 0.585 87.9 90.6 -79.7 -12.2 -55.4 2.0 -45.7 32 32 A S > - 0 0 32 1,-0.2 4,-2.1 2,-0.0 5,-0.2 -0.770 56.4-169.8 -89.4 110.8 -58.1 2.6 -43.0 33 33 A S H > S+ 0 0 65 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.798 88.4 63.1 -71.1 -28.2 -61.2 4.4 -44.4 34 34 A T H > S+ 0 0 83 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.940 108.5 40.0 -51.4 -52.2 -62.4 4.8 -40.7 35 35 A K H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.901 114.9 52.2 -68.7 -41.0 -59.3 7.0 -40.0 36 36 A I H X S+ 0 0 8 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.933 109.5 49.8 -59.8 -46.6 -59.5 8.8 -43.4 37 37 A D H X S+ 0 0 79 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.885 110.7 49.3 -61.8 -38.8 -63.2 9.7 -42.8 38 38 A L H ><>S+ 0 0 25 -4,-1.7 5,-3.1 2,-0.2 3,-0.7 0.938 110.3 50.4 -66.5 -43.6 -62.6 11.1 -39.3 39 39 A I H ><5S+ 0 0 1 -4,-2.3 3,-1.6 1,-0.3 -2,-0.2 0.899 108.3 51.7 -62.9 -42.1 -59.7 13.2 -40.6 40 40 A N H 3<5S+ 0 0 48 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.724 107.8 53.8 -68.3 -19.2 -61.8 14.7 -43.4 41 41 A Q T <<5S- 0 0 123 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.406 121.5-110.0 -89.2 0.1 -64.5 15.5 -40.8 42 42 A G T < 5S+ 0 0 3 -3,-1.6 2,-0.4 1,-0.3 14,-0.3 0.804 75.5 140.4 72.9 29.9 -61.9 17.4 -38.7 43 43 A K < - 0 0 73 -5,-3.1 -1,-0.3 12,-0.2 -2,-0.2 -0.860 53.4-127.2-109.1 139.0 -62.1 14.6 -36.1 44 44 A S - 0 0 11 -2,-0.4 8,-0.1 1,-0.1 757,-0.0 -0.690 6.2-152.7 -82.5 132.4 -59.2 13.1 -34.2 45 45 A P S S+ 0 0 1 0, 0.0 756,-1.8 0, 0.0 2,-0.3 0.574 80.4 41.2 -76.7 -6.1 -59.0 9.3 -34.4 46 46 A I S S- 0 0 15 754,-0.2 2,-0.8 2,-0.1 6,-0.1 -0.888 89.5-103.5-138.1 162.0 -57.3 9.3 -31.0 47 47 A V + 0 0 27 -2,-0.3 718,-0.6 4,-0.1 719,-0.3 -0.838 61.5 138.4 -89.0 111.2 -57.4 11.0 -27.6 48 48 A E > - 0 0 10 -2,-0.8 3,-2.0 716,-0.1 4,-0.5 -0.860 58.4-104.8-157.6 114.2 -54.5 13.4 -27.8 49 49 A P T 3 S+ 0 0 74 0, 0.0 116,-0.4 0, 0.0 113,-0.0 -0.145 98.5 2.1 -53.2 129.4 -54.8 17.0 -26.4 50 50 A G T 3> S+ 0 0 48 115,-0.1 4,-1.6 1,-0.1 5,-0.1 0.284 98.0 109.9 82.6 -9.3 -55.2 19.7 -29.0 51 51 A L H <> S+ 0 0 0 -3,-2.0 4,-2.4 1,-0.2 5,-0.3 0.934 72.1 53.8 -68.0 -47.0 -55.2 17.4 -32.0 52 52 A E H > S+ 0 0 61 -4,-0.5 4,-3.1 1,-0.2 -1,-0.2 0.924 108.0 52.2 -53.8 -45.1 -58.9 17.7 -32.9 53 53 A A H > S+ 0 0 40 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.911 110.0 48.3 -58.0 -43.2 -58.5 21.5 -33.1 54 54 A L H X S+ 0 0 25 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.870 113.2 47.0 -66.0 -37.6 -55.4 21.2 -35.4 55 55 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.899 111.8 51.1 -70.3 -39.6 -57.3 18.8 -37.7 56 56 A Q H X S+ 0 0 93 -4,-3.1 4,-2.2 -14,-0.3 -2,-0.2 0.951 110.8 48.9 -59.1 -49.7 -60.3 21.1 -37.7 57 57 A Q H X S+ 0 0 102 -4,-2.8 4,-2.0 1,-0.2 6,-0.3 0.884 108.9 53.9 -56.7 -42.4 -58.1 24.1 -38.6 58 58 A G H <>S+ 0 0 1 -4,-2.1 5,-1.6 1,-0.2 6,-1.2 0.869 110.1 45.3 -63.1 -40.0 -56.5 22.0 -41.4 59 59 A R H ><5S+ 0 0 98 -4,-1.9 3,-0.8 4,-0.2 -1,-0.2 0.895 111.9 52.4 -69.9 -40.2 -59.8 21.2 -43.0 60 60 A Q H 3<5S+ 0 0 90 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.866 112.7 43.5 -64.8 -38.6 -61.1 24.7 -42.7 61 61 A T T 3<5S- 0 0 70 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.430 110.8-120.4 -86.4 -1.3 -58.0 26.3 -44.4 62 62 A G T < 5S+ 0 0 61 -3,-0.8 -3,-0.2 -4,-0.3 -4,-0.1 0.668 83.0 115.6 70.4 18.2 -58.0 23.6 -47.1 63 63 A R < + 0 0 80 -5,-1.6 -37,-3.0 -6,-0.3 2,-0.4 0.303 66.2 53.9-101.1 6.9 -54.5 22.5 -46.1 64 64 A L E +c 26 0A 3 -6,-1.2 2,-0.3 -39,-0.2 -37,-0.2 -0.984 55.6 154.6-144.7 132.6 -55.3 19.0 -44.9 65 65 A S E -c 27 0A 45 -39,-1.6 -37,-3.4 -2,-0.4 2,-0.4 -0.975 26.6-137.3-149.6 158.6 -57.1 16.1 -46.5 66 66 A G E +c 28 0A 9 -2,-0.3 2,-0.3 -39,-0.2 -37,-0.2 -0.941 27.4 157.9-122.2 146.4 -57.2 12.3 -46.2 67 67 A T E -c 29 0A 37 -39,-2.3 -37,-1.5 -2,-0.4 -2,-0.0 -0.987 44.5-143.2-158.5 160.0 -57.2 9.6 -48.8 68 68 A T S S+ 0 0 82 -2,-0.3 2,-1.7 -39,-0.2 3,-0.2 0.437 77.6 104.3 -99.8 -7.4 -56.5 5.9 -49.7 69 69 A D > + 0 0 81 1,-0.2 4,-2.1 2,-0.1 5,-0.1 -0.576 44.6 173.3 -77.2 86.6 -55.4 7.0 -53.2 70 70 A F H > S+ 0 0 62 -2,-1.7 4,-2.3 1,-0.2 5,-0.2 0.871 73.5 56.3 -66.8 -36.2 -51.6 6.7 -52.6 71 71 A K H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.959 109.7 44.5 -59.6 -53.4 -50.8 7.4 -56.3 72 72 A K H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.905 111.3 55.1 -57.4 -43.6 -52.6 10.7 -56.3 73 73 A A H < S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.902 111.2 43.8 -56.3 -46.0 -51.0 11.6 -52.9 74 74 A V H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.902 113.4 50.1 -68.2 -42.1 -47.5 11.0 -54.2 75 75 A L H 3< S+ 0 0 73 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.868 112.9 48.6 -65.0 -33.3 -48.2 12.8 -57.5 76 76 A D T 3< S+ 0 0 94 -4,-2.5 2,-0.3 -5,-0.2 -1,-0.3 0.145 108.2 61.7 -95.2 17.7 -49.6 15.8 -55.5 77 77 A S < - 0 0 1 -3,-1.3 -74,-0.2 1,-0.1 3,-0.1 -0.970 62.9-146.0-142.2 158.4 -46.8 16.1 -53.0 78 78 A D S S+ 0 0 57 -76,-2.5 40,-1.0 -2,-0.3 2,-0.4 0.701 88.8 25.2 -90.9 -28.5 -43.0 16.9 -53.0 79 79 A V E -bd 3 118A 0 -77,-0.9 -75,-2.9 38,-0.2 2,-0.5 -1.000 63.3-151.1-143.5 138.9 -42.2 14.6 -50.1 80 80 A S E -bd 4 119A 0 38,-2.9 40,-3.2 -2,-0.4 2,-0.5 -0.964 9.7-156.9-109.9 120.4 -43.7 11.5 -48.5 81 81 A F E -bd 5 120A 5 -77,-2.8 -75,-3.3 -2,-0.5 2,-0.7 -0.850 12.5-143.8 -90.9 128.5 -43.2 10.8 -44.8 82 82 A I E +bd 6 121A 0 38,-3.1 40,-2.4 -2,-0.5 41,-1.8 -0.859 33.3 157.3 -96.5 118.5 -43.6 7.2 -43.9 83 83 A C + 0 0 14 -77,-3.1 -71,-0.4 -2,-0.7 -74,-0.4 -0.112 24.3 133.7-130.7 31.3 -45.3 6.8 -40.5 84 84 A V - 0 0 31 1,-0.1 -77,-0.1 -73,-0.1 15,-0.1 -0.330 62.1 -77.1 -82.6 167.3 -46.8 3.3 -40.6 85 85 A G - 0 0 36 1,-0.1 14,-0.3 38,-0.1 13,-0.3 -0.244 29.1-171.7 -66.4 150.3 -46.5 0.8 -37.8 86 86 A T + 0 0 7 12,-0.1 10,-0.1 11,-0.1 -1,-0.1 -0.524 28.4 170.2-132.7 62.8 -43.4 -1.3 -37.0 87 87 A P - 0 0 46 0, 0.0 8,-2.4 0, 0.0 2,-0.2 -0.103 39.3 -85.4 -69.6 170.2 -44.9 -3.6 -34.4 88 88 A S B -H 94 0B 31 6,-0.2 6,-0.2 1,-0.1 2,-0.1 -0.512 34.0-130.3 -72.8 146.1 -43.2 -6.7 -33.0 89 89 A K > - 0 0 91 4,-3.3 3,-2.0 -2,-0.2 6,-0.1 -0.419 43.2 -91.4 -76.6 170.5 -43.3 -10.0 -34.7 90 90 A K T 3 S+ 0 0 120 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.866 130.0 52.5 -53.5 -36.6 -44.3 -12.9 -32.4 91 91 A N T 3 S- 0 0 51 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.411 122.5-103.1 -83.6 0.5 -40.6 -13.5 -31.7 92 92 A G S < S+ 0 0 8 -3,-2.0 623,-0.2 1,-0.3 -2,-0.1 0.195 81.0 127.4 98.9 -16.2 -39.9 -9.9 -30.7 93 93 A D S S- 0 0 24 1,-0.1 -4,-3.3 -5,-0.1 -1,-0.3 -0.215 71.6 -82.0 -68.6 164.8 -38.2 -9.0 -34.0 94 94 A L B -H 88 0B 11 -6,-0.2 2,-0.8 618,-0.2 -6,-0.2 -0.529 37.0-137.9 -72.8 126.5 -39.2 -5.9 -36.1 95 95 A D + 0 0 50 -8,-2.4 3,-0.3 -2,-0.3 4,-0.3 -0.792 22.6 179.0 -89.7 109.7 -42.2 -6.5 -38.3 96 96 A L > + 0 0 37 -2,-0.8 4,-2.9 1,-0.2 5,-0.2 0.393 48.7 107.6 -89.1 -0.5 -41.4 -4.9 -41.7 97 97 A G H > S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.847 82.4 41.1 -47.4 -48.1 -44.7 -5.8 -43.4 98 98 A Y H > S+ 0 0 125 -3,-0.3 4,-2.3 -13,-0.3 -1,-0.2 0.884 114.1 52.1 -72.9 -40.0 -46.2 -2.4 -43.4 99 99 A I H > S+ 0 0 0 -14,-0.3 4,-2.1 -4,-0.3 -2,-0.2 0.927 110.5 50.2 -59.9 -44.8 -43.0 -0.6 -44.4 100 100 A E H X S+ 0 0 62 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.948 109.7 49.0 -60.9 -49.5 -42.6 -3.0 -47.3 101 101 A T H X S+ 0 0 59 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.923 111.9 49.2 -56.6 -47.5 -46.1 -2.5 -48.6 102 102 A V H X S+ 0 0 11 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.869 108.6 53.3 -62.2 -38.3 -45.8 1.3 -48.5 103 103 A C H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.919 109.3 48.2 -64.7 -42.8 -42.4 1.2 -50.3 104 104 A R H X S+ 0 0 107 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.920 112.4 49.9 -61.5 -44.8 -44.0 -0.8 -53.1 105 105 A E H X S+ 0 0 42 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.930 112.4 46.2 -58.5 -48.6 -46.9 1.6 -53.3 106 106 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.918 112.2 51.7 -63.6 -41.3 -44.6 4.6 -53.4 107 107 A G H X S+ 0 0 0 -4,-2.7 4,-0.9 2,-0.2 -2,-0.2 0.928 110.7 47.0 -59.4 -48.1 -42.4 2.9 -56.1 108 108 A F H >< S+ 0 0 57 -4,-2.7 3,-0.7 1,-0.2 4,-0.4 0.928 112.1 53.6 -57.7 -44.0 -45.4 2.2 -58.3 109 109 A A H 3< S+ 0 0 11 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.848 110.3 42.8 -61.7 -41.1 -46.5 5.8 -57.7 110 110 A I H >< S+ 0 0 6 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.553 85.3 97.8 -86.0 -5.4 -43.3 7.5 -58.8 111 111 A R T << S+ 0 0 155 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.1 0.868 102.3 19.5 -49.7 -43.1 -42.7 5.3 -61.8 112 112 A E T 3 S+ 0 0 73 -3,-0.5 2,-0.4 -4,-0.4 -1,-0.3 0.329 95.0 116.2-111.0 4.8 -44.2 7.8 -64.2 113 113 A K < - 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