==== 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 14-AUG-02 1MFZ . 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) . 63868.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1279 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 221 12.7 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 . 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 . 132 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 171 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 628 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 50 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 2 17 4 7 6 4 9 3 1 4 0 7 0 0 0 0 0 0 0 0 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 8 0 4 27 9 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 4 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 X 0 0 64 0, 0.0 24,-2.1 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 170.6 139.5 76.6 60.2 2 2 A R E -a 25 0A 92 22,-0.2 76,-2.0 24,-0.1 77,-1.6 -0.837 360.0-169.7 -97.1 119.0 141.9 78.8 62.2 3 3 A I E -ab 26 79A 0 22,-3.9 24,-3.1 -2,-0.6 2,-0.4 -0.917 14.8-162.7-118.0 126.3 141.4 78.3 65.9 4 4 A S E -ab 27 80A 0 75,-3.3 77,-2.6 -2,-0.5 2,-0.5 -0.815 12.3-157.9 -97.1 145.1 142.8 80.3 68.8 5 5 A I E -ab 28 81A 0 22,-2.4 24,-3.2 -2,-0.4 2,-0.7 -0.962 4.1-150.4-128.0 115.8 142.7 78.6 72.3 6 6 A F E S+ab 29 82A 0 75,-2.3 77,-2.5 -2,-0.5 24,-0.2 -0.759 71.4 20.2 -93.9 113.2 142.9 80.7 75.5 7 7 A G - 0 0 10 22,-3.7 22,-0.2 -2,-0.7 23,-0.2 0.345 64.8-146.1 100.4 124.5 144.4 78.9 78.4 8 8 A L + 0 0 1 4,-0.1 -1,-0.1 20,-0.1 22,-0.1 -0.258 51.8 123.1-118.6 45.4 146.7 75.9 77.8 9 9 A G S >>S- 0 0 24 74,-0.3 4,-3.5 4,-0.1 5,-0.5 -0.057 85.4 -54.8 -84.5-163.7 146.0 73.7 80.8 10 10 A Y H >5S+ 0 0 23 1,-0.2 4,-0.8 2,-0.2 5,-0.1 0.794 141.5 32.7 -44.7 -40.1 144.9 70.1 80.7 11 11 A V H >5S+ 0 0 37 72,-0.2 4,-2.1 2,-0.1 -1,-0.2 0.842 119.5 51.9 -90.9 -32.4 141.8 70.8 78.5 12 12 A G H >5S+ 0 0 0 71,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.885 113.8 41.7 -68.7 -41.8 143.3 73.7 76.6 13 13 A A H X5S+ 0 0 0 -4,-3.5 4,-2.4 2,-0.2 5,-0.3 0.913 112.9 53.2 -73.5 -42.1 146.4 71.8 75.5 14 14 A V H XX>S+ 0 0 2 -4,-2.9 3,-2.1 -5,-0.2 5,-1.3 0.948 114.1 53.7 -72.5 -45.8 142.1 70.0 66.7 20 20 A S H 3<5S+ 0 0 0 -4,-2.4 3,-0.5 -5,-0.5 -2,-0.2 0.772 106.6 53.3 -61.0 -25.4 145.5 70.6 65.2 21 21 A A T 3<5S+ 0 0 39 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.533 103.4 57.8 -87.8 -5.0 145.8 67.0 64.3 22 22 A R T <45S- 0 0 115 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.460 130.6 -81.2-102.8 -3.2 142.5 67.0 62.5 23 23 A G T <5S+ 0 0 44 -4,-0.5 2,-0.3 -3,-0.5 -3,-0.2 0.598 84.8 130.9 117.1 17.3 143.4 69.7 60.0 24 24 A H < - 0 0 28 -5,-1.3 2,-0.8 -22,-0.0 -1,-0.3 -0.716 60.0-121.1-103.0 151.6 142.9 73.0 61.8 25 25 A E E -a 2 0A 88 -24,-2.1 -22,-3.9 -2,-0.3 2,-0.5 -0.820 42.2-166.0 -85.0 113.7 145.3 76.0 62.1 26 26 A V E -ac 3 64A 0 37,-3.6 39,-2.3 -2,-0.8 2,-0.6 -0.915 20.4-171.1-119.0 127.8 145.7 76.2 65.9 27 27 A I E -ac 4 65A 19 -24,-3.1 -22,-2.4 -2,-0.5 2,-0.5 -0.907 16.1-148.9-114.0 105.8 147.1 79.0 68.0 28 28 A G E -ac 5 66A 0 37,-4.9 39,-2.1 -2,-0.6 2,-0.5 -0.605 15.7-166.3 -76.2 121.7 147.7 78.2 71.6 29 29 A V E +ac 6 67A 0 -24,-3.2 -22,-3.7 -2,-0.5 2,-0.3 -0.929 18.6 149.4-113.9 130.8 147.3 81.2 73.8 30 30 A D - 0 0 17 37,-0.9 40,-0.1 -2,-0.5 6,-0.0 -0.983 47.6-128.6-151.9 157.0 148.4 81.4 77.5 31 31 A V S S+ 0 0 84 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 0.866 89.5 78.8 -75.7 -35.9 149.6 84.1 79.9 32 32 A S > - 0 0 44 1,-0.1 4,-1.4 -3,-0.1 3,-0.4 -0.643 65.9-155.1 -83.7 120.5 152.7 82.0 80.9 33 33 A S H > S+ 0 0 72 -2,-0.5 4,-1.3 1,-0.2 -1,-0.1 0.531 90.8 65.9 -69.4 -6.6 155.6 82.0 78.6 34 34 A T H > S+ 0 0 75 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.923 101.7 45.4 -78.2 -47.7 156.8 78.7 80.0 35 35 A K H > S+ 0 0 57 -3,-0.4 4,-1.5 1,-0.2 -2,-0.2 0.899 116.0 47.4 -60.4 -41.0 153.8 76.7 78.7 36 36 A I H X S+ 0 0 4 -4,-1.4 4,-2.8 2,-0.2 5,-0.2 0.888 109.1 51.5 -71.5 -40.0 154.0 78.4 75.3 37 37 A D H X S+ 0 0 96 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.908 110.7 51.0 -61.8 -40.3 157.8 77.9 74.9 38 38 A L H <>S+ 0 0 29 -4,-2.1 5,-3.9 1,-0.2 -1,-0.2 0.870 110.7 49.9 -62.9 -36.4 157.1 74.2 75.7 39 39 A I H ><5S+ 0 0 0 -4,-1.5 3,-2.5 3,-0.2 -2,-0.2 0.932 107.6 49.8 -70.3 -48.2 154.4 74.2 73.0 40 40 A N H 3<5S+ 0 0 49 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.882 107.7 55.8 -59.9 -34.8 156.4 75.7 70.2 41 41 A Q T 3<5S- 0 0 132 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.471 123.4-115.3 -71.0 -1.6 159.1 73.2 71.1 42 42 A G T < 5S+ 0 0 4 -3,-2.5 2,-0.4 1,-0.2 -3,-0.2 0.818 71.0 139.6 69.5 32.0 156.2 70.8 70.5 43 43 A K < - 0 0 89 -5,-3.9 -1,-0.2 12,-0.2 -2,-0.1 -0.894 53.5-119.5-118.0 141.3 156.3 69.7 74.1 44 44 A S - 0 0 6 -2,-0.4 8,-0.1 1,-0.1 9,-0.0 -0.522 5.7-153.5 -77.6 134.4 153.5 68.9 76.6 45 45 A P S S+ 0 0 4 0, 0.0 756,-1.9 0, 0.0 757,-0.6 0.632 81.0 45.0 -78.3 -11.5 153.2 71.0 79.8 46 46 A I S S- 0 0 15 754,-0.2 2,-1.0 755,-0.1 6,-0.2 -0.836 88.0-106.5-132.4 163.8 151.5 68.0 81.4 47 47 A V + 0 0 28 -2,-0.3 718,-0.4 4,-0.1 719,-0.2 -0.831 58.5 145.4 -91.2 107.7 151.7 64.3 81.8 48 48 A E > - 0 0 10 -2,-1.0 3,-2.5 716,-0.1 4,-0.5 -0.933 56.9-104.0-147.5 119.4 148.8 63.1 79.6 49 49 A P T 3 S- 0 0 73 0, 0.0 116,-0.3 0, 0.0 113,-0.1 -0.181 101.5 -2.5 -51.6 122.9 149.1 59.9 77.6 50 50 A G T 3> S+ 0 0 48 115,-0.1 4,-1.3 1,-0.0 5,-0.1 0.505 98.3 113.7 77.1 6.7 149.8 60.7 74.0 51 51 A L H <> S+ 0 0 0 -3,-2.5 4,-2.6 2,-0.2 5,-0.2 0.960 72.4 51.7 -75.8 -51.5 149.7 64.5 74.3 52 52 A E H >> S+ 0 0 57 -4,-0.5 4,-2.7 1,-0.2 3,-0.7 0.966 107.9 53.7 -45.3 -66.9 153.3 65.2 73.5 53 53 A A H 3> S+ 0 0 56 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.847 110.2 47.4 -33.5 -56.7 153.1 63.1 70.3 54 54 A L H 3X S+ 0 0 28 -4,-1.3 4,-1.3 1,-0.2 -1,-0.3 0.911 113.2 48.6 -55.0 -45.6 150.1 65.2 69.2 55 55 A L H S+ 0 0 0 -4,-1.3 6,-2.2 -5,-0.2 5,-1.0 0.818 110.0 40.9 -71.3 -31.8 151.3 70.1 65.4 59 59 A R H ><5S+ 0 0 96 -4,-1.2 3,-1.0 -3,-0.4 -2,-0.2 0.872 109.3 57.9 -82.9 -40.2 154.7 71.8 65.0 60 60 A Q H 3<5S+ 0 0 170 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.1 0.917 114.2 38.6 -58.2 -42.3 156.0 69.4 62.3 61 61 A T T 3<5S- 0 0 69 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.487 108.7-126.6 -84.4 -4.2 153.1 70.2 60.0 62 62 A G T < 5S+ 0 0 44 -3,-1.0 -3,-0.2 2,-0.1 -4,-0.1 0.670 77.8 121.0 67.0 16.4 153.2 73.9 61.1 63 63 A R < + 0 0 90 -5,-1.0 -37,-3.6 -6,-0.3 2,-0.4 0.568 63.8 55.4 -86.1 -10.0 149.5 73.6 62.1 64 64 A L E +c 26 0A 0 -6,-2.2 2,-0.3 -39,-0.2 -37,-0.2 -0.977 57.7 153.0-132.3 140.4 150.1 74.5 65.7 65 65 A S E -c 27 0A 36 -39,-2.3 -37,-4.9 -2,-0.4 2,-0.3 -0.969 23.1-145.0-155.6 164.1 151.6 77.4 67.5 66 66 A G E +c 28 0A 9 -2,-0.3 2,-0.3 -39,-0.3 -37,-0.2 -0.972 17.4 168.3-136.6 151.6 151.5 79.3 70.7 67 67 A T E -c 29 0A 23 -39,-2.1 -37,-0.9 -2,-0.3 -2,-0.0 -0.980 37.3-137.5-157.5 151.1 152.0 83.0 71.6 68 68 A T S S+ 0 0 74 -2,-0.3 2,-1.1 -39,-0.2 -39,-0.1 0.343 78.5 104.9 -91.3 7.5 151.4 85.2 74.7 69 69 A D > - 0 0 84 1,-0.2 4,-2.4 2,-0.1 5,-0.2 -0.692 47.7-178.0 -94.6 89.2 150.0 87.8 72.4 70 70 A F H > S+ 0 0 30 -2,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.933 78.7 50.7 -50.4 -60.3 146.2 87.8 72.8 71 71 A K H >> S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 3,-0.8 0.926 111.9 47.4 -45.4 -57.8 145.3 90.4 70.3 72 72 A K H 3> S+ 0 0 102 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.937 106.3 58.2 -50.1 -52.9 147.3 88.8 67.5 73 73 A A H 3< S+ 0 0 0 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.841 110.6 44.2 -47.3 -38.7 145.9 85.4 68.3 74 74 A V H X< S+ 0 0 0 -4,-1.7 3,-1.9 -3,-0.8 -1,-0.2 0.946 112.1 49.3 -72.6 -50.1 142.4 86.9 67.6 75 75 A L H 3< S+ 0 0 44 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.704 113.1 50.6 -63.0 -19.6 143.3 88.8 64.5 76 76 A D T 3< S+ 0 0 72 -4,-2.2 2,-0.3 -5,-0.3 -1,-0.3 0.312 110.4 55.3-100.9 6.2 144.9 85.6 63.2 77 77 A S < - 0 0 0 -3,-1.9 -74,-0.2 -5,-0.2 3,-0.1 -0.913 58.3-151.3-138.3 164.7 142.0 83.3 63.8 78 78 A D S S+ 0 0 61 -76,-2.0 40,-1.0 -2,-0.3 2,-0.4 0.594 86.6 39.9-107.5 -18.7 138.3 83.0 63.1 79 79 A V E -bd 3 118A 2 -77,-1.6 -75,-3.3 38,-0.2 2,-0.5 -0.998 61.8-161.4-137.6 136.2 137.3 81.1 66.2 80 80 A S E -bd 4 119A 0 38,-3.2 40,-3.0 -2,-0.4 2,-0.6 -0.969 5.1-159.8-118.0 124.7 138.4 81.5 69.8 81 81 A F E -bd 5 120A 1 -77,-2.6 -75,-2.3 -2,-0.5 2,-0.7 -0.921 13.6-145.3-101.7 115.8 137.9 78.6 72.3 82 82 A I E +bd 6 121A 0 38,-2.7 40,-2.7 -2,-0.6 41,-1.4 -0.726 35.1 153.0 -85.6 116.8 137.9 79.9 76.0 83 83 A C + 0 0 11 -77,-2.5 -74,-0.3 -2,-0.7 -71,-0.3 0.096 22.3 134.4-128.8 20.9 139.5 77.3 78.2 84 84 A V - 0 0 21 -78,-0.2 2,-0.1 1,-0.1 -77,-0.1 -0.237 57.8 -88.9 -73.2 166.3 141.0 79.3 81.1 85 85 A G - 0 0 44 38,-0.1 14,-0.3 1,-0.0 13,-0.2 -0.354 24.7-167.0 -80.6 152.0 140.5 78.3 84.7 86 86 A T - 0 0 8 12,-0.1 10,-0.1 -2,-0.1 2,-0.1 -0.792 22.5-177.5-134.1 89.3 137.8 79.2 87.2 87 87 A P - 0 0 51 0, 0.0 8,-3.1 0, 0.0 2,-0.1 -0.326 33.0 -82.6 -84.5 169.2 139.0 78.2 90.7 88 88 A S B -H 94 0B 36 6,-0.2 6,-0.2 -2,-0.1 5,-0.1 -0.433 33.0-141.3 -74.8 142.6 137.2 78.5 94.0 89 89 A K > - 0 0 104 4,-2.5 3,-0.8 -2,-0.1 -1,-0.1 -0.291 43.1 -89.2 -82.9-177.4 137.0 81.7 96.0 90 90 A K T 3 S+ 0 0 118 1,-0.2 -2,-0.1 -2,-0.1 -1,-0.0 0.643 127.7 45.3 -72.8 -12.2 137.2 81.4 99.7 91 91 A N T 3 S- 0 0 94 2,-0.2 -1,-0.2 621,-0.0 3,-0.1 0.440 121.0 -98.2-111.3 1.1 133.4 81.0 100.0 92 92 A G S < S+ 0 0 7 -3,-0.8 623,-0.2 1,-0.4 624,-0.1 -0.011 83.8 122.8 108.9 -28.6 132.8 78.5 97.2 93 93 A D S S- 0 0 29 -5,-0.1 -4,-2.5 622,-0.1 -1,-0.4 -0.281 70.2-103.6 -61.6 149.8 131.7 80.9 94.5 94 94 A L B -H 88 0B 6 -6,-0.2 2,-0.7 618,-0.1 -6,-0.2 -0.555 25.8-121.0 -84.8 147.2 133.9 80.6 91.4 95 95 A D - 0 0 61 -8,-3.1 4,-0.2 -2,-0.2 3,-0.2 -0.773 24.1-175.1 -87.5 116.9 136.5 83.2 90.6 96 96 A L >> + 0 0 33 -2,-0.7 4,-2.2 1,-0.2 3,-0.6 0.575 50.4 112.0 -86.9 -12.4 135.8 84.7 87.2 97 97 A G H 3> S+ 0 0 27 1,-0.3 4,-2.0 2,-0.2 3,-0.4 0.769 79.3 40.8 -24.8 -71.5 139.0 86.8 87.2 98 98 A Y H 3> S+ 0 0 133 1,-0.2 4,-2.3 -13,-0.2 -1,-0.3 0.882 112.6 55.4 -53.5 -46.0 140.8 85.0 84.4 99 99 A I H <> S+ 0 0 0 -3,-0.6 4,-2.4 -14,-0.3 -1,-0.2 0.899 107.9 51.2 -54.4 -42.6 137.6 84.7 82.2 100 100 A E H X S+ 0 0 58 -4,-2.2 4,-2.9 -3,-0.4 -2,-0.2 0.959 107.4 49.8 -63.7 -51.4 137.2 88.4 82.5 101 101 A T H X S+ 0 0 63 -4,-2.0 4,-3.4 1,-0.2 5,-0.2 0.951 112.2 48.5 -51.5 -54.5 140.7 89.4 81.3 102 102 A V H X S+ 0 0 5 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.922 110.4 52.2 -51.6 -47.8 140.4 87.1 78.3 103 103 A C H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.941 113.0 43.9 -55.2 -49.3 137.0 88.6 77.5 104 104 A R H X S+ 0 0 103 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.981 111.9 52.7 -59.1 -57.5 138.5 92.1 77.6 105 105 A E H X S+ 0 0 84 -4,-3.4 4,-1.3 1,-0.2 -1,-0.2 0.885 113.3 45.6 -44.4 -45.7 141.5 91.1 75.7 106 106 A I H >X S+ 0 0 0 -4,-3.0 4,-1.3 -5,-0.2 3,-0.6 0.967 110.5 50.7 -65.9 -54.6 139.3 89.6 73.0 107 107 A G H >X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.3 3,-1.3 0.926 110.0 51.0 -46.9 -53.3 136.8 92.5 72.8 108 108 A F H 3X S+ 0 0 115 -4,-2.7 4,-0.6 1,-0.3 -1,-0.3 0.838 108.3 53.7 -53.3 -36.3 139.7 95.0 72.4 109 109 A A H - 0 0 8 -2,-0.3 3,-1.6 1,-0.1 4,-0.2 -0.110 60.3 -82.2 -51.8 151.9 127.8 78.7 86.6 127 127 A P T 3 S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 77,-0.1 -0.359 118.0 32.8 -59.2 137.6 124.6 79.2 84.7 128 128 A G T 3> S+ 0 0 5 -3,-0.1 4,-2.9 75,-0.1 5,-0.3 0.256 85.3 113.8 99.4 -8.5 124.0 82.7 83.5 129 129 A T H <>>S+ 0 0 10 -3,-1.6 4,-2.5 2,-0.2 5,-1.3 0.947 73.5 46.6 -62.1 -53.2 127.7 83.4 83.1 130 130 A V H 4>S+ 0 0 0 -4,-0.2 5,-2.6 1,-0.2 -1,-0.2 0.917 120.0 41.3 -57.3 -43.8 127.9 83.9 79.4 131 131 A N H 45S+ 0 0 67 1,-0.2 -1,-0.2 3,-0.2 -2,-0.2 0.894 123.5 35.3 -71.0 -43.4 124.8 86.2 79.4 132 132 A N H <5S+ 0 0 121 -4,-2.9 -2,-0.2 3,-0.1 -3,-0.2 0.652 134.7 9.3 -88.4 -16.3 125.6 88.2 82.5 133 133 A V T X5S+ 0 0 33 -4,-2.5 4,-2.0 -5,-0.3 5,-0.2 0.682 121.9 42.9-129.6 -64.2 129.4 88.5 82.3 134 134 A V H > S+ 0 0 54 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.837 115.8 53.3 -53.4 -34.5 128.5 92.4 78.3 137 137 A L H X S+ 0 0 24 -4,-2.0 4,-1.2 2,-0.2 5,-0.2 0.974 111.1 42.7 -65.4 -54.5 132.2 92.4 78.9 138 138 A I H >X S+ 0 0 0 -4,-2.7 4,-3.0 -5,-0.2 3,-1.0 0.957 117.4 48.3 -55.1 -52.7 133.2 91.6 75.3 139 139 A E H 3X>S+ 0 0 65 -4,-3.0 4,-2.7 1,-0.3 5,-0.7 0.951 109.9 50.0 -50.2 -60.1 130.6 94.1 74.0 140 140 A D H 3<5S+ 0 0 132 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.656 119.5 40.4 -56.4 -16.9 131.6 96.9 76.4 141 141 A C H <<5S+ 0 0 17 -4,-1.2 -1,-0.2 -3,-1.0 -2,-0.2 0.715 119.4 41.0-104.2 -29.9 135.2 96.3 75.3 142 142 A S H <5S- 0 0 7 -4,-3.0 -2,-0.2 -3,-0.3 -3,-0.2 0.638 96.2-133.4 -92.1 -15.1 134.7 95.7 71.5 143 143 A G T <5S+ 0 0 73 -4,-2.7 -3,-0.2 -5,-0.3 -4,-0.1 0.657 74.3 106.5 69.6 13.6 132.1 98.5 71.2 144 144 A K S > - 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