==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-SEP-02 1MUU . 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) . 59938.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1261 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 224 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 1.1 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 . 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 . 135 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 150 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 627 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 49 2.8 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 5 11 4 11 5 5 10 1 0 5 0 7 0 0 0 0 0 0 0 0 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 8 0 4 24 12 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 . 4 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 4 0 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 X 0 0 73 0, 0.0 24,-2.2 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 149.4 -44.5 23.1 -49.3 2 2 A R E +a 25 0A 128 22,-0.2 76,-2.5 24,-0.1 77,-0.9 -0.832 360.0 176.3 -88.8 122.3 -46.6 20.3 -50.6 3 3 A I E -ab 26 79A 0 22,-2.6 24,-2.7 -2,-0.6 2,-0.4 -0.976 22.0-158.4-133.3 136.5 -46.3 17.2 -48.4 4 4 A S E -ab 27 80A 0 75,-2.5 77,-2.5 -2,-0.4 2,-0.5 -0.909 11.3-158.7-108.3 140.8 -47.9 13.7 -48.3 5 5 A I E -ab 28 81A 0 22,-2.3 24,-3.2 -2,-0.4 2,-0.6 -0.982 5.4-150.4-122.3 123.0 -47.9 11.7 -45.1 6 6 A F E S+ab 29 82A 3 75,-3.5 77,-3.3 -2,-0.5 24,-0.2 -0.831 71.2 25.4 -97.0 116.3 -48.3 7.9 -45.2 7 7 A G - 0 0 7 22,-3.4 2,-0.4 -2,-0.6 23,-0.2 0.595 60.7-151.9 100.2 109.5 -50.0 6.5 -42.1 8 8 A L + 0 0 1 4,-0.2 -1,-0.1 3,-0.1 76,-0.1 -0.494 53.8 119.4-110.6 59.6 -52.3 8.6 -40.0 9 9 A G S > S- 0 0 19 -2,-0.4 4,-2.0 74,-0.4 5,-0.4 0.017 88.8 -51.8 -98.2-150.9 -51.8 6.9 -36.6 10 10 A Y T 4 S+ 0 0 30 1,-0.2 4,-0.5 2,-0.2 36,-0.1 0.863 140.8 35.3 -60.6 -34.1 -50.4 8.4 -33.4 11 11 A V T > S+ 0 0 36 72,-0.2 4,-2.2 2,-0.1 3,-0.4 0.966 119.4 43.2 -82.9 -58.7 -47.4 9.7 -35.3 12 12 A G H > S+ 0 0 0 71,-0.5 4,-3.0 1,-0.2 -4,-0.2 0.830 108.8 56.6 -59.4 -38.6 -48.7 10.7 -38.7 13 13 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.885 110.4 46.5 -63.3 -35.4 -51.9 12.4 -37.6 14 14 A V H > S+ 0 0 0 -4,-0.5 4,-3.1 -3,-0.4 5,-0.3 0.934 112.6 48.7 -71.2 -45.2 -49.8 14.7 -35.4 15 15 A C H X S+ 0 0 2 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.915 110.5 52.3 -59.8 -42.4 -47.3 15.5 -38.2 16 16 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.935 113.9 43.0 -58.1 -49.3 -50.2 16.2 -40.6 17 17 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.952 116.7 45.6 -62.9 -50.5 -51.7 18.6 -38.1 18 18 A C H X S+ 0 0 0 -4,-3.1 4,-0.6 1,-0.2 -2,-0.2 0.894 113.5 49.5 -64.5 -39.2 -48.5 20.3 -37.2 19 19 A L H ><>S+ 0 0 3 -4,-3.1 5,-1.6 -5,-0.3 3,-1.1 0.935 111.8 47.9 -66.1 -42.4 -47.3 20.6 -40.7 20 20 A S H ><5S+ 0 0 1 -4,-2.1 3,-2.0 -5,-0.3 -2,-0.2 0.887 104.7 59.5 -67.9 -34.7 -50.5 22.1 -42.0 21 21 A A H 3<5S+ 0 0 41 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.705 101.5 57.5 -64.1 -17.7 -50.6 24.6 -39.1 22 22 A R T <<5S- 0 0 101 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.223 129.0 -93.0 -98.0 12.0 -47.2 25.9 -40.4 23 23 A G T < 5S+ 0 0 36 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.288 81.4 136.3 99.4 -10.7 -48.6 26.7 -43.9 24 24 A H < - 0 0 25 -5,-1.6 2,-0.8 1,-0.1 -1,-0.3 -0.385 57.0-125.7 -71.2 147.8 -47.8 23.4 -45.6 25 25 A E E -a 2 0A 107 -24,-2.2 -22,-2.6 -2,-0.1 2,-0.4 -0.863 37.6-164.7 -94.5 112.3 -50.4 21.8 -47.9 26 26 A V E -ac 3 64A 4 37,-2.5 39,-2.0 -2,-0.8 2,-0.6 -0.849 21.5-170.1-111.4 132.7 -50.7 18.3 -46.5 27 27 A I E -ac 4 65A 28 -24,-2.7 -22,-2.3 -2,-0.4 2,-0.4 -0.954 15.4-154.0-117.0 114.3 -52.2 15.2 -47.9 28 28 A G E -ac 5 66A 0 37,-3.4 39,-2.4 -2,-0.6 2,-0.4 -0.699 8.2-162.6 -87.1 135.0 -52.6 12.3 -45.5 29 29 A V E +ac 6 67A 5 -24,-3.2 -22,-3.4 -2,-0.4 2,-0.3 -0.966 18.7 154.2-120.5 130.1 -52.7 8.8 -46.9 30 30 A D - 0 0 21 37,-1.5 40,-0.0 -2,-0.4 -24,-0.0 -0.986 45.4-134.6-148.3 155.7 -54.0 5.7 -45.0 31 31 A V S S+ 0 0 128 -2,-0.3 2,-0.8 1,-0.1 3,-0.1 0.686 88.8 85.9 -80.8 -17.7 -55.4 2.3 -45.9 32 32 A S >> - 0 0 36 1,-0.2 4,-2.3 -3,-0.0 3,-0.6 -0.744 59.1-167.1 -90.5 107.1 -58.1 2.8 -43.3 33 33 A S H 3> S+ 0 0 65 -2,-0.8 4,-3.9 1,-0.2 5,-0.3 0.850 88.6 65.8 -57.4 -33.8 -61.1 4.7 -44.6 34 34 A T H 3> S+ 0 0 65 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.919 106.6 39.2 -53.9 -48.9 -62.2 5.1 -41.0 35 35 A K H <> S+ 0 0 59 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.930 117.4 50.8 -67.4 -43.5 -59.1 7.3 -40.2 36 36 A I H X S+ 0 0 12 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.910 108.9 50.1 -62.2 -43.4 -59.4 9.1 -43.5 37 37 A D H X S+ 0 0 46 -4,-3.9 4,-0.7 1,-0.2 -1,-0.2 0.892 111.9 48.9 -62.0 -40.8 -63.1 9.9 -43.1 38 38 A L H <>S+ 0 0 22 -4,-1.6 5,-2.1 -5,-0.3 3,-0.5 0.891 109.3 50.7 -68.4 -41.6 -62.5 11.3 -39.6 39 39 A I H ><5S+ 0 0 1 -4,-2.3 3,-2.2 1,-0.2 -2,-0.2 0.921 107.0 54.5 -64.8 -41.1 -59.5 13.5 -40.7 40 40 A N H 3<5S+ 0 0 53 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.745 106.2 53.5 -63.2 -21.1 -61.6 15.0 -43.6 41 41 A Q T 3<5S- 0 0 151 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.313 122.0-111.6 -90.8 7.2 -64.2 15.9 -40.9 42 42 A G T < 5S+ 0 0 16 -3,-2.2 2,-0.4 1,-0.2 14,-0.3 0.951 74.8 136.8 60.7 48.1 -61.5 17.7 -39.0 43 43 A K < - 0 0 33 -5,-2.1 -1,-0.2 12,-0.2 -2,-0.2 -0.970 55.0-122.5-129.8 144.2 -61.7 15.0 -36.3 44 44 A S - 0 0 30 -2,-0.4 8,-0.1 1,-0.1 -5,-0.0 -0.697 6.6-153.8 -86.4 132.9 -58.9 13.2 -34.3 45 45 A P S S+ 0 0 3 0, 0.0 756,-2.2 0, 0.0 757,-0.4 0.633 82.8 35.8 -78.0 -13.7 -58.8 9.4 -34.5 46 46 A I S S- 0 0 19 754,-0.2 2,-0.8 755,-0.1 5,-0.1 -0.845 93.1-100.3-129.2 167.0 -57.1 9.3 -31.1 47 47 A V + 0 0 32 -2,-0.3 718,-0.5 4,-0.1 719,-0.3 -0.845 58.7 144.5 -90.9 113.4 -57.2 11.3 -27.9 48 48 A E > - 0 0 9 -2,-0.8 3,-2.4 716,-0.1 4,-0.4 -0.882 56.6-102.4-152.2 112.5 -54.2 13.6 -28.0 49 49 A P T 3 S+ 0 0 73 0, 0.0 116,-0.3 0, 0.0 113,-0.0 -0.008 100.2 1.3 -44.9 129.9 -54.5 17.1 -26.6 50 50 A G T 3> S+ 0 0 47 1,-0.1 4,-1.5 115,-0.1 5,-0.1 0.406 95.9 112.7 76.2 -0.2 -55.0 19.8 -29.2 51 51 A L H <> S+ 0 0 0 -3,-2.4 4,-2.8 2,-0.2 5,-0.2 0.907 72.9 53.4 -72.7 -42.2 -55.0 17.5 -32.2 52 52 A E H > S+ 0 0 50 -4,-0.4 4,-2.9 2,-0.2 5,-0.2 0.943 109.5 48.9 -55.7 -50.5 -58.7 18.0 -33.1 53 53 A A H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.888 112.4 48.5 -58.2 -41.6 -58.3 21.8 -33.2 54 54 A L H X S+ 0 0 25 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.899 113.2 48.2 -64.5 -40.1 -55.2 21.4 -35.4 55 55 A L H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.858 110.4 49.9 -69.9 -35.9 -57.1 19.0 -37.7 56 56 A Q H X S+ 0 0 45 -4,-2.9 4,-2.8 -14,-0.3 -1,-0.2 0.914 108.7 53.6 -68.6 -40.8 -60.1 21.3 -38.0 57 57 A Q H X S+ 0 0 100 -4,-2.1 4,-1.1 1,-0.2 6,-0.3 0.864 106.6 52.4 -58.5 -40.5 -57.8 24.3 -38.9 58 58 A G H X>S+ 0 0 1 -4,-1.5 6,-2.1 1,-0.2 5,-1.0 0.901 111.8 46.0 -63.8 -41.1 -56.2 22.2 -41.6 59 59 A R H ><5S+ 0 0 97 -4,-1.6 3,-0.8 1,-0.2 -2,-0.2 0.926 110.8 52.4 -66.8 -43.5 -59.6 21.5 -43.0 60 60 A Q H 3<5S+ 0 0 92 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.610 112.6 43.7 -72.5 -14.7 -60.8 25.1 -42.8 61 61 A T H 3<5S- 0 0 74 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.468 109.1-120.9-104.5 -7.1 -57.8 26.5 -44.7 62 62 A G T <<5S+ 0 0 65 -3,-0.8 -3,-0.2 -4,-0.6 -4,-0.1 0.520 85.2 111.0 79.8 7.0 -57.9 23.8 -47.3 63 63 A R < + 0 0 80 -5,-1.0 -37,-2.5 -6,-0.3 2,-0.5 0.768 63.6 62.9 -84.2 -28.0 -54.4 22.7 -46.4 64 64 A L E +c 26 0A 3 -6,-2.1 2,-0.3 -39,-0.2 -37,-0.2 -0.878 59.6 158.5-107.2 129.4 -55.2 19.3 -44.9 65 65 A S E -c 27 0A 41 -39,-2.0 -37,-3.4 -2,-0.5 2,-0.3 -0.957 22.3-149.1-141.9 159.0 -56.8 16.5 -46.9 66 66 A G E +c 28 0A 10 -2,-0.3 2,-0.3 -39,-0.2 -37,-0.2 -0.978 23.0 152.9-134.2 145.8 -57.0 12.7 -46.5 67 67 A T E -c 29 0A 36 -39,-2.4 -37,-1.5 -2,-0.3 -2,-0.0 -0.985 47.2-135.7-162.7 164.9 -57.3 9.9 -49.1 68 68 A T S S+ 0 0 83 -2,-0.3 2,-1.5 -39,-0.2 -39,-0.1 0.441 81.1 102.3-102.4 -6.8 -56.6 6.3 -49.9 69 69 A D > + 0 0 84 1,-0.2 4,-1.7 2,-0.1 5,-0.1 -0.610 43.9 171.8 -82.1 88.4 -55.3 7.4 -53.3 70 70 A F H > S+ 0 0 69 -2,-1.5 4,-2.7 2,-0.2 5,-0.2 0.833 72.8 58.6 -68.0 -34.0 -51.6 7.2 -52.9 71 71 A K H > S+ 0 0 36 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.961 110.0 43.6 -60.7 -49.8 -50.7 7.8 -56.6 72 72 A K H > S+ 0 0 29 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.890 111.8 55.4 -61.1 -39.6 -52.5 11.1 -56.5 73 73 A A H < S+ 0 0 0 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.926 112.0 41.8 -60.5 -48.1 -50.9 11.9 -53.1 74 74 A V H >< S+ 0 0 2 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.933 114.1 51.6 -64.4 -47.7 -47.4 11.3 -54.5 75 75 A L H 3< S+ 0 0 79 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.922 111.9 48.8 -55.8 -41.3 -48.1 13.2 -57.7 76 76 A D T 3< S+ 0 0 101 -4,-2.8 2,-0.3 -5,-0.2 -1,-0.3 -0.023 108.6 58.2 -93.0 29.3 -49.4 16.1 -55.8 77 77 A S < - 0 0 7 -3,-1.6 -74,-0.2 1,-0.1 3,-0.1 -0.992 64.9-140.7-152.6 156.7 -46.5 16.5 -53.3 78 78 A D S S+ 0 0 59 -76,-2.5 40,-1.2 -2,-0.3 2,-0.3 0.724 89.8 23.5 -88.0 -25.1 -42.8 17.1 -53.2 79 79 A V E -bd 3 118A 0 -77,-0.9 -75,-2.5 38,-0.2 2,-0.5 -1.000 62.8-149.2-146.8 142.0 -42.0 14.7 -50.4 80 80 A S E -bd 4 119A 0 38,-2.9 40,-3.0 -2,-0.3 2,-0.6 -0.960 10.9-154.0-112.8 121.8 -43.7 11.7 -48.8 81 81 A F E -bd 5 120A 2 -77,-2.5 -75,-3.5 -2,-0.5 2,-0.7 -0.850 11.3-144.5 -91.7 124.2 -43.2 10.9 -45.1 82 82 A I E +bd 6 121A 0 38,-3.2 40,-2.4 -2,-0.6 41,-1.8 -0.823 32.7 158.6 -90.7 112.8 -43.5 7.3 -44.2 83 83 A C + 0 0 13 -77,-3.3 -71,-0.5 -2,-0.7 -74,-0.4 -0.152 24.8 135.2-125.1 35.8 -45.2 7.0 -40.8 84 84 A V - 0 0 22 1,-0.1 -77,-0.1 -73,-0.1 15,-0.1 -0.384 59.5 -82.6 -84.1 165.8 -46.6 3.5 -40.8 85 85 A G - 0 0 41 -2,-0.1 13,-0.3 38,-0.1 14,-0.3 -0.242 29.5-172.4 -69.9 151.1 -46.4 1.0 -38.0 86 86 A T + 0 0 9 12,-0.1 10,-0.1 11,-0.1 -1,-0.1 -0.473 24.5 171.5-140.3 67.7 -43.4 -1.3 -37.3 87 87 A P - 0 0 50 0, 0.0 8,-2.4 0, 0.0 2,-0.2 -0.077 37.4 -81.3 -78.4 173.0 -44.6 -3.7 -34.6 88 88 A S B -H 94 0B 34 6,-0.2 6,-0.2 2,-0.1 2,-0.2 -0.477 32.4-136.5 -75.4 141.7 -43.0 -6.7 -33.2 89 89 A K > - 0 0 86 4,-3.2 3,-2.3 -2,-0.2 6,-0.1 -0.465 44.2 -92.2 -79.2 171.0 -43.0 -10.1 -34.9 90 90 A K T 3 S+ 0 0 118 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.816 128.9 53.2 -57.5 -31.4 -43.7 -12.9 -32.5 91 91 A N T 3 S- 0 0 46 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.379 121.9-103.0 -86.7 3.0 -40.0 -13.4 -32.0 92 92 A G S < S+ 0 0 8 -3,-2.3 623,-0.2 1,-0.3 -2,-0.1 0.132 80.7 127.9 99.1 -20.5 -39.3 -9.7 -31.1 93 93 A D S S- 0 0 27 1,-0.1 -4,-3.2 -5,-0.1 -1,-0.3 -0.187 70.4 -86.0 -66.5 162.0 -37.9 -8.7 -34.4 94 94 A L B -H 88 0B 7 -6,-0.2 2,-0.7 618,-0.2 -6,-0.2 -0.475 34.2-137.8 -71.9 131.9 -39.1 -5.8 -36.4 95 95 A D - 0 0 55 -8,-2.4 3,-0.3 -2,-0.2 4,-0.2 -0.875 21.2-179.5 -94.6 116.9 -42.1 -6.4 -38.7 96 96 A L > + 0 0 33 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.261 46.3 112.4 -99.7 8.7 -41.5 -4.6 -42.0 97 97 A G H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.881 80.8 39.7 -49.1 -51.8 -44.8 -5.6 -43.6 98 98 A Y H > S+ 0 0 137 -13,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.847 114.3 53.4 -72.3 -35.5 -46.4 -2.2 -43.8 99 99 A I H > S+ 0 0 0 -14,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.962 108.7 49.9 -62.0 -50.2 -43.2 -0.4 -44.6 100 100 A E H X S+ 0 0 64 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.890 110.2 50.6 -54.9 -45.4 -42.6 -2.7 -47.6 101 101 A T H X S+ 0 0 60 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.923 110.9 47.4 -60.2 -47.8 -46.1 -2.1 -48.9 102 102 A V H X S+ 0 0 11 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.892 109.7 55.2 -63.5 -36.8 -45.8 1.6 -48.7 103 103 A C H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.854 108.7 46.7 -63.8 -36.9 -42.5 1.4 -50.5 104 104 A R H X S+ 0 0 109 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.924 112.0 51.2 -72.1 -41.7 -44.0 -0.5 -53.4 105 105 A E H X S+ 0 0 33 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.949 113.4 43.8 -57.0 -52.4 -46.9 1.9 -53.6 106 106 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.907 112.0 53.7 -61.4 -43.2 -44.6 5.0 -53.7 107 107 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.932 112.5 43.4 -57.0 -48.7 -42.2 3.3 -56.1 108 108 A F H X S+ 0 0 40 -4,-2.7 4,-0.8 1,-0.2 3,-0.2 0.956 114.3 49.8 -61.9 -50.5 -45.1 2.6 -58.5 109 109 A A H >X S+ 0 0 7 -4,-2.9 4,-1.2 -5,-0.2 3,-0.5 0.866 112.1 50.6 -55.6 -35.8 -46.5 6.0 -58.0 110 110 A I H 3< S+ 0 0 6 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.846 90.1 75.1 -74.0 -36.4 -43.0 7.4 -58.7 111 111 A R H 3< S+ 0 0 161 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.842 106.3 39.3 -43.5 -37.6 -42.4 5.5 -61.9 112 112 A E H << S+ 0 0 79 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.949 89.9 106.6 -78.2 -53.5 -44.8 8.0 -63.5 113 113 A K < - 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