==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-NOV-10 3PLR . COMPND 2 MOLECULE: UDP-GLUCOSE 6-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR Y.-Y.CHEN,T.-P.KO,C.-H.LIN,W.-H.CHEN,A.H.-J.WANG . 377 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18847.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0.3 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 . 31 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 1 1 1 1 3 0 3 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 1 3 4 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 PARALLEL BRIDGES PER LADDER . 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 1 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 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 1 998 A E 0 0 179 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.2 55.4 -4.0 66.5 2 999 A F - 0 0 116 23,-0.0 2,-0.1 2,-0.0 23,-0.1 -0.799 360.0-177.8-145.1 103.5 52.6 -3.3 68.9 3 1 A M - 0 0 10 -2,-0.3 23,-2.7 21,-0.1 2,-0.5 -0.437 29.5-119.9-102.4 173.6 52.6 0.5 69.5 4 2 A K E -a 26 0A 12 71,-0.3 73,-2.7 21,-0.2 74,-1.4 -0.978 30.0-175.5-113.7 126.3 50.8 3.0 71.7 5 3 A I E -ab 27 78A 0 21,-2.9 23,-1.8 -2,-0.5 2,-0.4 -0.991 9.1-155.6-123.3 125.8 48.9 5.6 69.6 6 4 A T E -ab 28 79A 0 72,-2.5 74,-3.1 -2,-0.5 2,-0.5 -0.822 3.0-151.9-102.0 140.8 47.1 8.5 71.4 7 5 A I E -ab 29 80A 0 21,-2.2 23,-3.3 -2,-0.4 2,-0.7 -0.956 3.2-156.8-107.0 127.4 44.3 10.3 69.8 8 6 A S E S+ab 30 81A 2 72,-3.2 74,-2.9 -2,-0.5 23,-0.2 -0.912 73.3 25.1-106.1 108.6 43.8 13.9 70.8 9 7 A G - 0 0 10 21,-2.8 2,-0.6 -2,-0.7 22,-0.2 0.517 68.7-142.8 108.6 110.1 40.1 14.9 70.1 10 8 A T + 0 0 1 4,-0.2 2,-0.1 19,-0.1 -1,-0.1 -0.407 59.9 111.7-102.7 57.3 37.4 12.2 70.0 11 9 A G S > S- 0 0 30 -2,-0.6 4,-2.7 71,-0.4 5,-0.4 -0.148 90.7 -60.4-103.2-156.6 35.2 13.5 67.2 12 10 A Y H > S+ 0 0 62 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.916 136.2 41.3 -57.2 -45.1 34.7 12.0 63.7 13 11 A V H > S+ 0 0 37 2,-0.2 4,-2.2 69,-0.2 5,-0.3 0.948 117.4 44.6 -72.7 -49.4 38.4 12.3 62.7 14 12 A G H > S+ 0 0 0 68,-0.5 4,-2.7 1,-0.2 -2,-0.2 0.914 117.5 44.3 -60.9 -46.1 39.9 11.2 66.0 15 13 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.4 0.868 110.2 54.6 -69.7 -35.2 37.6 8.3 66.5 16 14 A S H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.4 -2,-0.2 0.970 116.7 38.0 -59.4 -51.0 37.8 7.1 62.8 17 15 A N H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.918 118.2 50.2 -67.3 -39.8 41.6 6.9 63.1 18 16 A G H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.923 111.7 44.7 -67.1 -46.4 41.6 5.6 66.7 19 17 A V H X S+ 0 0 0 -4,-2.8 4,-0.6 2,-0.2 -1,-0.2 0.904 113.0 53.8 -64.7 -40.8 39.1 2.8 66.2 20 18 A L H >< S+ 0 0 1 -4,-2.0 3,-0.8 -5,-0.4 4,-0.2 0.945 115.1 38.5 -55.7 -47.3 40.9 1.8 63.0 21 19 A I H >X S+ 0 0 2 -4,-2.3 3,-1.9 1,-0.2 4,-1.6 0.825 103.0 70.5 -78.4 -26.3 44.3 1.6 64.7 22 20 A A H 3< S+ 0 0 2 -4,-2.4 40,-2.4 1,-0.3 -1,-0.2 0.621 83.2 74.8 -69.5 -10.0 42.9 -0.0 67.9 23 21 A Q T << S+ 0 0 60 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.848 118.4 11.0 -70.8 -27.0 42.2 -3.2 65.9 24 22 A N T <4 S+ 0 0 68 -3,-1.9 2,-0.2 -4,-0.2 -2,-0.2 0.455 127.6 37.2-128.1 -7.5 46.0 -3.9 66.0 25 23 A H S < S- 0 0 5 -4,-1.6 2,-0.6 -23,-0.1 37,-0.4 -0.805 88.3 -83.0-138.0 179.0 47.7 -1.5 68.5 26 24 A E E -a 4 0A 60 -23,-2.7 -21,-2.9 -2,-0.2 2,-0.4 -0.810 46.7-173.3 -91.1 116.5 47.1 0.1 71.9 27 25 A V E -ac 5 63A 0 35,-2.7 37,-1.4 -2,-0.6 2,-0.5 -0.946 12.3-172.6-115.9 134.4 45.0 3.3 71.5 28 26 A V E -ac 6 64A 0 -23,-1.8 -21,-2.2 -2,-0.4 2,-0.5 -0.992 15.0-151.3-123.8 121.9 44.2 5.8 74.2 29 27 A A E -ac 7 65A 0 35,-3.0 37,-2.4 -2,-0.5 2,-0.4 -0.862 8.6-161.2-101.5 124.0 41.7 8.5 73.2 30 28 A L E +ac 8 66A 15 -23,-3.3 -21,-2.8 -2,-0.5 2,-0.3 -0.849 16.3 163.6-105.4 127.6 42.0 11.9 75.0 31 29 A D - 0 0 21 35,-1.6 52,-0.0 -2,-0.4 38,-0.0 -0.907 39.3-135.7-132.4 169.9 39.2 14.4 75.1 32 30 A I S S+ 0 0 158 -2,-0.3 2,-0.9 1,-0.1 3,-0.1 0.604 88.0 83.2 -96.2 -15.5 38.5 17.5 77.2 33 31 A V >> - 0 0 62 1,-0.2 4,-1.8 2,-0.0 3,-1.0 -0.782 65.7-160.6 -92.3 106.0 34.9 16.6 77.7 34 32 A Q H 3> S+ 0 0 92 -2,-0.9 4,-2.8 1,-0.3 5,-0.2 0.865 88.5 57.1 -54.0 -37.9 34.7 14.1 80.6 35 33 A A H 3> S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.820 104.7 50.8 -67.9 -29.7 31.2 12.8 79.5 36 34 A K H <> S+ 0 0 72 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.901 112.0 48.7 -70.4 -41.9 32.5 11.9 76.0 37 35 A V H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.932 110.4 50.5 -61.6 -46.1 35.3 9.9 77.7 38 36 A D H X S+ 0 0 73 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.912 110.5 50.1 -60.1 -42.2 33.0 8.2 80.1 39 37 A M H ><>S+ 0 0 63 -4,-1.9 5,-2.7 1,-0.2 3,-0.9 0.920 109.5 50.8 -59.9 -47.2 30.7 7.2 77.2 40 38 A L H ><5S+ 0 0 3 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.890 105.2 55.8 -59.4 -39.7 33.7 5.8 75.2 41 39 A N H 3<5S+ 0 0 78 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.695 106.2 51.4 -69.1 -14.6 34.8 3.8 78.2 42 40 A Q T <<5S- 0 0 139 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.273 123.4-110.3 -97.3 6.9 31.3 2.2 78.2 43 41 A K T < 5S+ 0 0 116 -3,-1.9 2,-0.5 1,-0.3 -3,-0.2 0.825 76.6 134.8 65.4 33.3 31.8 1.5 74.5 44 42 A I < - 0 0 70 -5,-2.7 -1,-0.3 -6,-0.1 -2,-0.2 -0.956 53.8-130.1-110.7 127.1 29.2 4.0 73.5 45 43 A S - 0 0 10 -2,-0.5 4,-0.1 1,-0.1 8,-0.1 -0.599 3.8-151.5 -78.7 134.2 30.1 6.4 70.7 46 44 A P S S+ 0 0 29 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.483 79.3 55.0 -82.8 1.3 29.6 10.1 71.3 47 45 A I S S- 0 0 24 2,-0.1 2,-0.8 -36,-0.1 -2,-0.1 -0.839 91.8-101.1-128.0 167.9 29.0 10.7 67.5 48 46 A V + 0 0 121 -2,-0.3 100,-0.3 4,-0.1 2,-0.2 -0.798 64.9 125.0 -94.7 106.9 26.8 9.3 64.8 49 47 A D > - 0 0 6 -2,-0.8 4,-2.5 1,-0.1 5,-0.2 -0.767 46.9-150.7-164.5 113.9 28.7 6.8 62.7 50 48 A K H > S+ 0 0 115 98,-0.4 4,-2.6 -2,-0.2 5,-0.2 0.915 96.0 45.5 -56.9 -53.2 27.4 3.3 62.2 51 49 A E H > S+ 0 0 22 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.884 111.2 53.2 -62.3 -39.1 30.7 1.6 61.8 52 50 A I H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.955 113.1 43.4 -63.5 -46.2 32.3 3.3 64.8 53 51 A Q H X S+ 0 0 61 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.917 115.4 49.2 -64.9 -40.1 29.5 2.3 67.1 54 52 A E H X S+ 0 0 81 -4,-2.6 4,-2.7 -5,-0.2 5,-0.3 0.937 115.3 43.3 -62.5 -47.1 29.5 -1.2 65.6 55 53 A Y H X S+ 0 0 25 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.936 113.3 51.1 -65.6 -47.5 33.2 -1.6 66.0 56 54 A L H < S+ 0 0 6 -4,-3.0 -1,-0.2 -5,-0.3 5,-0.2 0.867 120.2 35.4 -55.1 -40.7 33.3 -0.0 69.5 57 55 A A H < S+ 0 0 56 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.806 130.0 26.3 -85.5 -33.0 30.6 -2.3 70.7 58 56 A E H < S+ 0 0 147 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.594 102.2 70.6-112.5 -15.5 31.3 -5.5 68.9 59 57 A K S < S- 0 0 99 -4,-2.3 2,-1.2 -5,-0.3 -36,-0.0 -0.795 82.5-109.3-107.5 153.3 35.0 -5.9 67.9 60 58 A P + 0 0 126 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 -0.637 49.8 171.4 -80.0 97.6 37.9 -6.5 70.3 61 59 A L - 0 0 32 -2,-1.2 2,-1.6 -5,-0.2 -38,-0.2 -0.922 40.6-134.4-109.2 143.0 39.7 -3.2 70.2 62 60 A N + 0 0 75 -40,-2.4 -35,-2.7 -37,-0.4 2,-0.3 -0.719 64.4 134.3 -93.6 84.1 42.6 -2.2 72.5 63 61 A F E +c 27 0A 27 -2,-1.6 2,-0.3 -37,-0.2 -35,-0.2 -0.999 23.7 155.3-139.0 136.5 40.9 1.1 73.0 64 62 A R E -c 28 0A 84 -37,-1.4 -35,-3.0 -2,-0.3 2,-0.3 -0.956 25.1-136.5-153.7 163.3 40.2 3.3 76.1 65 63 A A E +c 29 0A 4 -2,-0.3 2,-0.3 -37,-0.2 -35,-0.2 -0.856 20.1 170.4-124.9 159.8 39.6 7.0 76.8 66 64 A T E -c 30 0A 18 -37,-2.4 -35,-1.6 -2,-0.3 -2,-0.0 -0.983 36.6-146.7-158.8 159.0 40.7 9.5 79.3 67 65 A T S S+ 0 0 50 -2,-0.3 2,-0.8 -37,-0.2 -37,-0.1 0.359 76.4 104.6-103.7 -1.0 40.7 13.2 80.1 68 66 A D > - 0 0 73 1,-0.2 4,-2.9 2,-0.1 5,-0.2 -0.693 55.8-164.6 -86.0 106.9 44.2 12.8 81.8 69 67 A K H > S+ 0 0 80 -2,-0.8 4,-2.7 1,-0.2 5,-0.3 0.842 88.2 51.5 -59.8 -36.2 46.9 14.2 79.5 70 68 A H H > S+ 0 0 108 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 111.3 45.6 -69.1 -43.1 49.7 12.5 81.3 71 69 A D H 4 S+ 0 0 38 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.930 116.6 48.9 -63.6 -44.2 48.0 9.1 81.2 72 70 A A H < S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.942 118.7 33.0 -63.0 -48.5 47.2 9.7 77.5 73 71 A Y H >< S+ 0 0 0 -4,-2.7 3,-2.0 -5,-0.2 -1,-0.2 0.747 85.7 108.7 -86.6 -23.5 50.6 10.8 76.2 74 72 A R T 3< S+ 0 0 124 -4,-2.2 3,-0.1 -5,-0.3 36,-0.1 -0.339 96.1 0.2 -60.7 135.4 53.1 8.9 78.3 75 73 A N T 3 S+ 0 0 127 1,-0.2 -71,-0.3 2,-0.1 -1,-0.3 0.503 91.7 152.5 66.0 9.5 54.9 6.2 76.3 76 74 A A < - 0 0 5 -3,-2.0 -1,-0.2 1,-0.2 -71,-0.2 -0.488 35.6-162.8 -70.6 136.1 53.0 7.1 73.1 77 75 A D S S+ 0 0 68 -73,-2.7 37,-1.9 1,-0.3 2,-0.3 0.863 80.4 11.3 -81.0 -40.4 54.8 6.3 69.9 78 76 A Y E -bd 5 114A 6 -74,-1.4 -72,-2.5 35,-0.2 2,-0.4 -0.980 61.9-157.8-134.3 151.0 52.4 8.6 67.9 79 77 A V E -bd 6 115A 0 35,-2.1 37,-2.9 -2,-0.3 2,-0.6 -0.991 13.2-151.9-126.6 122.5 49.8 11.2 68.9 80 78 A I E -bd 7 116A 0 -74,-3.1 -72,-3.2 -2,-0.4 2,-0.6 -0.840 11.1-147.4 -97.6 122.8 47.2 11.9 66.2 81 79 A I E +bd 8 117A 0 35,-2.6 37,-2.7 -2,-0.6 38,-1.6 -0.817 32.8 156.1 -95.0 121.7 45.9 15.5 66.6 82 80 A A + 0 0 13 -74,-2.9 -68,-0.5 -2,-0.6 -71,-0.4 -0.264 22.8 138.0-139.6 40.2 42.2 15.7 65.6 83 81 A T - 0 0 22 1,-0.1 16,-0.1 -70,-0.1 -74,-0.1 -0.471 60.8 -80.2 -86.0 161.6 41.0 18.8 67.5 84 82 A P + 0 0 105 0, 0.0 14,-0.4 0, 0.0 2,-0.3 -0.293 49.6 170.1 -64.1 143.0 38.7 21.4 66.1 85 83 A T - 0 0 28 13,-0.1 2,-0.3 12,-0.1 11,-0.2 -0.941 12.2-159.4-143.2 166.6 40.1 24.2 63.8 86 84 A D E -F 95 0B 80 9,-1.5 9,-3.1 -2,-0.3 2,-0.5 -0.981 10.7-153.5-154.9 133.6 38.3 26.8 61.7 87 85 A Y E -F 94 0B 15 -2,-0.3 7,-0.2 7,-0.3 175,-0.1 -0.946 11.1-158.5-107.3 129.3 39.1 29.0 58.8 88 86 A D E >>> -F 93 0B 44 5,-2.7 4,-1.8 -2,-0.5 5,-1.3 -0.895 1.4-164.0-105.8 107.4 37.1 32.3 58.5 89 87 A P T 345S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.849 83.9 64.6 -61.3 -29.4 37.3 33.6 54.9 90 88 A K T 345S+ 0 0 188 1,-0.2 -2,-0.0 3,-0.1 0, 0.0 0.898 121.3 19.9 -62.6 -36.5 36.1 37.1 55.8 91 89 A T T <45S- 0 0 92 -3,-0.6 -1,-0.2 2,-0.1 3,-0.1 0.502 98.4-125.7-109.3 -4.1 39.2 37.7 57.8 92 90 A N T <5 + 0 0 86 -4,-1.8 2,-0.5 1,-0.2 -2,-0.1 0.870 60.3 149.4 59.3 36.3 41.5 35.1 56.4 93 91 A Y E < -F 88 0B 128 -5,-1.3 -5,-2.7 2,-0.0 2,-0.7 -0.908 34.7-162.6-103.9 125.1 42.0 33.9 59.9 94 92 A F E -F 87 0B 25 -2,-0.5 2,-0.8 -7,-0.2 -7,-0.3 -0.912 12.2-148.5-109.2 110.3 42.8 30.2 60.6 95 93 A N E +F 86 0B 49 -9,-3.1 -9,-1.5 -2,-0.7 3,-0.1 -0.707 32.9 156.9 -81.3 109.0 42.1 29.3 64.2 96 94 A T > + 0 0 11 -2,-0.8 4,-2.6 -11,-0.2 3,-0.4 0.073 29.2 123.0-116.7 20.2 44.6 26.5 65.1 97 95 A S H > S+ 0 0 67 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.859 72.1 51.0 -56.0 -37.1 44.6 27.2 68.8 98 96 A T H > S+ 0 0 44 -14,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.910 111.5 47.8 -71.5 -36.1 43.6 23.6 69.8 99 97 A V H > S+ 0 0 0 -3,-0.4 4,-2.6 -15,-0.3 -1,-0.2 0.921 112.3 48.8 -66.7 -43.4 46.3 22.1 67.6 100 98 A E H X S+ 0 0 61 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.850 110.1 52.7 -64.7 -33.7 48.9 24.4 69.0 101 99 A A H X S+ 0 0 29 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.903 110.4 47.6 -68.4 -41.8 47.8 23.6 72.6 102 100 A V H X S+ 0 0 12 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.932 110.6 50.6 -65.0 -44.7 48.1 19.9 71.9 103 101 A I H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.925 111.7 50.2 -58.4 -41.5 51.6 20.4 70.4 104 102 A R H X S+ 0 0 138 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.954 112.8 45.7 -57.6 -49.2 52.4 22.3 73.6 105 103 A D H X S+ 0 0 21 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.893 114.7 45.6 -64.4 -43.3 51.1 19.6 75.8 106 104 A V H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 7,-0.2 0.923 110.2 53.8 -67.5 -42.1 52.8 16.7 74.0 107 105 A T H < S+ 0 0 42 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.890 115.7 41.1 -58.5 -39.5 56.1 18.5 73.7 108 106 A E H < S+ 0 0 157 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.935 124.2 34.4 -74.8 -45.0 56.1 19.0 77.5 109 107 A I H < S+ 0 0 38 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.881 137.5 7.7 -81.0 -41.5 54.8 15.6 78.6 110 108 A N >< + 0 0 17 -4,-2.9 3,-1.7 -5,-0.3 -1,-0.2 -0.628 59.6 175.9-146.1 82.8 56.3 13.3 76.0 111 109 A P T 3 S+ 0 0 75 0, 0.0 26,-0.1 0, 0.0 -4,-0.1 0.593 81.3 61.4 -66.1 -8.7 58.9 15.0 73.7 112 110 A N T 3 S+ 0 0 138 -6,-0.1 -5,-0.1 2,-0.1 2,-0.1 0.604 79.3 102.8 -92.7 -13.3 59.7 11.7 72.1 113 111 A A S < S- 0 0 1 -3,-1.7 2,-0.6 -7,-0.2 -35,-0.2 -0.384 71.6-131.7 -65.6 146.4 56.1 11.1 70.7 114 112 A V E -d 78 0A 15 -37,-1.9 -35,-2.1 -38,-0.1 2,-0.4 -0.908 20.9-144.9-102.2 118.3 55.7 11.8 67.0 115 113 A M E -de 79 138A 4 22,-2.6 24,-2.2 -2,-0.6 2,-0.5 -0.704 10.8-164.4 -87.3 136.2 52.6 14.0 66.4 116 114 A I E -de 80 139A 0 -37,-2.9 -35,-2.6 -2,-0.4 2,-0.6 -0.978 12.6-147.1-116.4 115.9 50.6 13.4 63.3 117 115 A I E +de 81 140A 0 22,-3.0 24,-2.6 -2,-0.5 -35,-0.2 -0.758 30.1 162.0 -89.1 122.0 48.2 16.2 62.6 118 116 A K + 0 0 8 -37,-2.7 25,-0.5 -2,-0.6 -36,-0.2 0.567 49.8 99.9-104.3 -21.7 44.9 15.1 60.9 119 117 A S S S- 0 0 10 -38,-1.6 2,-0.3 1,-0.1 22,-0.1 -0.252 89.9 -96.6 -56.4 154.5 43.1 18.4 61.8 120 118 A T + 0 0 64 -35,-0.1 -1,-0.1 22,-0.1 -2,-0.1 -0.596 53.4 173.3 -78.6 133.3 42.8 20.9 58.9 121 119 A I - 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0 0 136 3,-0.4 3,-2.0 -134,-0.1 7,-0.2 -0.931 29.9-104.8-115.3 137.1 33.4 12.3 55.1 147 145 A E T 3 S+ 0 0 120 -2,-0.4 -98,-0.1 1,-0.3 -134,-0.0 -0.330 110.5 31.9 -57.9 141.8 31.1 12.7 58.1 148 146 A G T 3 S+ 0 0 35 -100,-0.3 -98,-0.4 1,-0.0 -1,-0.3 0.113 125.0 47.7 95.2 -24.7 28.7 9.9 58.3 149 147 A R S <> S+ 0 0 62 -3,-2.0 4,-2.7 -100,-0.1 -3,-0.4 -0.183 74.2 132.9-134.5 36.8 31.2 7.5 56.7 150 148 A A H > S+ 0 0 0 2,-0.2 4,-0.7 1,-0.2 5,-0.1 0.937 78.6 31.4 -61.5 -53.9 34.1 8.5 59.0 151 149 A L H >> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 3,-1.1 0.925 117.4 58.3 -70.3 -43.7 35.3 5.0 59.9 152 150 A Y H 3> S+ 0 0 84 1,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.889 101.9 54.2 -50.8 -42.3 34.3 3.6 56.6 153 151 A D H 3< S+ 0 0 21 -4,-2.7 -1,-0.3 -7,-0.2 -2,-0.2 0.736 111.1 45.4 -69.7 -20.2 36.4 6.0 54.6 154 152 A N H << S+ 0 0 14 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.686 110.1 53.4 -95.1 -16.8 39.5 5.0 56.6 155 153 A L H < S+ 0 0 3 -4,-1.9 27,-2.3 1,-0.2 26,-2.0 0.792 128.0 23.3 -77.1 -26.9 38.7 1.3 56.2 156 154 A H S < S+ 0 0 57 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 -0.487 89.9 178.9-135.2 65.8 38.5 2.0 52.4 157 155 A P - 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