==== 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 12-JUL-02 1M66 . COMPND 2 MOLECULE: GLYCEROL-3-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MEXICANA; . AUTHOR J.CHOE,S.SURESH,G.WISEDCHAISRI,K.J.KENNEDY,M.H.GELB,W.G.J.HO . 346 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16374.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 0 0.0 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 . 17 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 39.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.2 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 1 3 0 0 2 0 4 3 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 1 0 2 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 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 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 9 A K 0 0 176 0, 0.0 174,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.6 70.2 44.4 20.8 2 10 A D + 0 0 156 2,-0.1 2,-0.5 173,-0.0 0, 0.0 0.259 360.0 110.3 -87.1 12.6 68.3 41.7 18.9 3 11 A E S S- 0 0 132 1,-0.1 172,-0.0 0, 0.0 0, 0.0 -0.788 71.4-121.1 -94.0 126.1 67.8 39.9 22.3 4 12 A L - 0 0 44 -2,-0.5 2,-0.5 1,-0.1 172,-0.2 -0.183 16.2-133.3 -66.5 153.9 64.3 39.9 23.7 5 13 A L - 0 0 34 170,-3.0 2,-0.4 173,-0.2 -1,-0.1 -0.916 16.0-162.4-110.3 133.1 63.3 41.3 27.0 6 14 A Y - 0 0 142 -2,-0.5 2,-0.3 24,-0.0 24,-0.2 -0.885 10.3-162.5-110.2 146.1 61.1 39.4 29.4 7 15 A L E -a 30 0A 25 22,-2.6 24,-2.1 -2,-0.4 25,-0.1 -0.800 28.0-131.2-125.7 168.2 59.2 41.0 32.3 8 16 A N E S+ 0 0 103 1,-0.3 24,-2.0 -2,-0.3 2,-0.3 0.851 89.3 7.6 -81.7 -37.4 57.5 40.1 35.5 9 17 A K E -a 32 0A 16 68,-0.2 70,-2.7 22,-0.2 2,-0.3 -0.998 53.6-174.2-152.7 144.8 54.3 42.0 34.9 10 18 A A E -a 33 0A 0 22,-1.9 24,-2.6 -2,-0.3 2,-0.4 -0.956 12.7-153.7-131.2 148.2 52.5 44.0 32.2 11 19 A V E -ab 34 81A 0 69,-2.0 71,-2.6 -2,-0.3 2,-0.5 -0.984 3.0-164.6-125.5 141.0 49.3 46.0 32.5 12 20 A V E -ab 35 82A 0 22,-2.5 24,-2.4 -2,-0.4 2,-0.8 -0.981 6.4-158.2-123.4 112.3 46.8 46.7 29.7 13 21 A F E +ab 36 83A 0 69,-3.2 71,-3.6 -2,-0.5 72,-0.8 -0.843 68.9 53.1 -91.0 109.1 44.2 49.4 30.4 14 22 A G - 0 0 5 22,-1.3 71,-0.1 -2,-0.8 23,-0.1 -0.059 62.5-151.2 129.4 124.3 41.4 48.7 28.0 15 23 A S + 0 0 15 4,-0.1 40,-0.2 -2,-0.1 39,-0.1 0.168 51.5 121.3-114.0 17.9 39.6 45.5 27.5 16 24 A G S > S- 0 0 28 68,-0.2 4,-2.5 1,-0.1 5,-0.2 0.055 82.5 -85.1 -68.2-174.0 38.5 45.6 23.9 17 25 A A H > S+ 0 0 34 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.928 129.7 45.3 -59.2 -47.7 39.4 43.0 21.2 18 26 A F H > S+ 0 0 32 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 113.3 48.2 -66.0 -44.4 42.7 44.7 20.5 19 27 A G H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.915 114.0 48.8 -62.3 -43.7 43.7 45.2 24.1 20 28 A T H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.920 110.6 49.4 -62.6 -45.0 42.9 41.6 24.8 21 29 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.893 110.6 50.8 -59.5 -42.4 44.9 40.3 21.8 22 30 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.853 105.7 55.6 -66.4 -33.6 47.8 42.4 23.0 23 31 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.838 104.9 54.0 -64.7 -31.9 47.5 40.9 26.4 24 32 A M H < S+ 0 0 28 -4,-1.5 4,-0.4 2,-0.2 -2,-0.2 0.928 109.1 48.4 -68.2 -41.1 47.8 37.5 24.7 25 33 A V H >< S+ 0 0 3 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.941 112.7 47.4 -61.3 -48.9 51.1 38.7 23.1 26 34 A L H >X S+ 0 0 0 -4,-2.6 3,-2.4 1,-0.3 4,-2.2 0.801 96.5 72.4 -63.5 -30.1 52.4 40.0 26.4 27 35 A S T 3< S+ 0 0 16 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.681 97.5 52.0 -60.7 -15.0 51.4 36.7 28.2 28 36 A K T <4 S+ 0 0 89 -3,-1.4 -1,-0.3 -4,-0.4 152,-0.3 0.436 117.7 35.3 -99.8 -1.1 54.3 35.1 26.4 29 37 A K T <4 S+ 0 0 3 -3,-2.4 -22,-2.6 1,-0.2 2,-0.4 0.494 116.2 50.8-127.6 -14.3 56.8 37.7 27.4 30 38 A C E < -a 7 0A 5 -4,-2.2 -22,-0.2 -24,-0.2 -1,-0.2 -0.990 69.5-138.1-129.4 139.1 55.7 38.6 31.0 31 39 A R E S+ 0 0 196 -24,-2.1 2,-0.4 -2,-0.4 -22,-0.2 0.906 93.5 29.6 -62.4 -39.4 54.9 36.3 33.9 32 40 A E E -a 9 0A 86 -24,-2.0 -22,-1.9 -25,-0.1 2,-0.4 -0.965 64.9-174.5-125.1 138.3 51.8 38.2 34.9 33 41 A V E -ac 10 65A 0 31,-2.1 33,-2.7 -2,-0.4 2,-0.4 -0.978 6.3-164.6-132.2 119.3 49.5 40.3 32.7 34 42 A C E -ac 11 66A 9 -24,-2.6 -22,-2.5 -2,-0.4 2,-0.5 -0.880 2.3-162.2-103.5 136.2 46.7 42.3 34.2 35 43 A V E -ac 12 67A 0 31,-2.3 33,-2.3 -2,-0.4 2,-0.4 -0.971 14.5-142.9-115.7 116.6 43.9 43.7 32.0 36 44 A W E +ac 13 68A 31 -24,-2.4 -22,-1.3 -2,-0.5 2,-0.4 -0.650 24.1 171.3 -82.5 130.9 41.9 46.5 33.6 37 45 A H - 0 0 15 31,-2.9 6,-0.1 -2,-0.4 -2,-0.0 -0.983 29.9-139.3-140.1 125.3 38.1 46.5 32.9 38 46 A M S S+ 0 0 146 -2,-0.4 2,-0.8 1,-0.1 31,-0.1 0.749 82.0 76.7 -59.6 -32.9 35.8 49.0 34.7 39 47 A N > - 0 0 61 1,-0.2 4,-2.3 29,-0.1 3,-0.1 -0.726 60.6-165.2 -89.1 107.1 32.8 46.7 35.4 40 48 A E H > S+ 0 0 70 -2,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.856 88.6 55.2 -56.4 -42.0 33.6 44.3 38.3 41 49 A E H > S+ 0 0 154 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.939 111.1 44.7 -58.0 -47.7 30.7 42.0 37.5 42 50 A E H > S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.857 108.0 59.2 -67.1 -33.1 32.0 41.5 33.9 43 51 A V H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.960 106.0 48.6 -57.4 -49.0 35.5 41.1 35.3 44 52 A R H X S+ 0 0 153 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.933 110.2 50.2 -58.4 -48.6 34.3 38.1 37.3 45 53 A L H X S+ 0 0 62 -4,-2.0 4,-3.1 1,-0.2 5,-0.3 0.963 111.4 48.4 -53.4 -55.6 32.6 36.5 34.3 46 54 A V H X>S+ 0 0 2 -4,-2.5 5,-1.5 1,-0.2 4,-1.1 0.896 112.5 47.3 -53.7 -46.9 35.7 36.9 32.1 47 55 A N H <5S+ 0 0 52 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.837 114.3 48.9 -65.0 -33.1 38.0 35.4 34.8 48 56 A E H <5S+ 0 0 141 -4,-2.2 -2,-0.2 -3,-0.3 -1,-0.2 0.960 116.7 39.6 -68.5 -53.8 35.5 32.5 35.3 49 57 A K H <5S- 0 0 111 -4,-3.1 -2,-0.2 2,-0.2 -1,-0.2 0.560 99.2-137.8 -73.5 -9.6 35.1 31.7 31.7 50 58 A R T <5S+ 0 0 118 -4,-1.1 11,-1.8 -5,-0.3 2,-0.3 0.898 75.7 91.8 49.4 43.4 38.8 32.3 31.1 51 59 A E S + 0 0 1 7,-0.5 4,-2.6 4,-0.3 3,-0.2 -0.543 39.8 170.7 -75.0 80.7 36.9 37.7 27.0 53 61 A V T 4 + 0 0 34 -2,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.623 69.6 63.2 -68.2 -12.5 33.3 36.7 26.0 54 62 A L T 4 S- 0 0 49 -3,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.950 127.1 -4.1 -79.5 -47.2 32.6 40.4 25.8 55 63 A F T 4 S+ 0 0 112 -40,-0.2 -2,-0.2 -3,-0.2 -38,-0.1 0.459 135.4 41.5-130.2 -4.6 35.0 41.5 23.0 56 64 A L S >< S- 0 0 12 -4,-2.6 3,-1.4 3,-0.1 -4,-0.3 -0.327 72.4-178.6-142.3 57.0 37.1 38.5 22.0 57 65 A K T 3 + 0 0 152 -4,-0.2 -4,-0.1 1,-0.2 3,-0.1 -0.260 65.6 29.9 -58.3 141.1 34.7 35.5 21.9 58 66 A G T 3 S+ 0 0 70 1,-0.2 2,-0.5 0, 0.0 -1,-0.2 0.315 92.9 108.6 94.4 -7.7 36.2 32.1 20.9 59 67 A V < - 0 0 6 -3,-1.4 2,-0.5 -7,-0.2 -7,-0.5 -0.912 60.9-141.9-111.0 124.4 39.7 32.8 22.3 60 68 A Q - 0 0 128 -2,-0.5 -9,-0.2 -9,-0.1 2,-0.1 -0.694 23.6-128.8 -83.1 124.3 41.0 31.1 25.4 61 69 A L - 0 0 6 -11,-1.8 -1,-0.0 -2,-0.5 -37,-0.0 -0.412 26.7-101.5 -72.3 145.4 43.0 33.5 27.6 62 70 A A > - 0 0 27 1,-0.1 3,-2.0 -2,-0.1 -1,-0.1 -0.361 33.6-116.2 -60.7 149.7 46.4 32.4 28.7 63 71 A S T 3 S+ 0 0 90 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.735 113.8 61.7 -64.3 -22.2 46.3 31.3 32.4 64 72 A N T 3 S+ 0 0 42 -37,-0.1 -31,-2.1 -32,-0.1 2,-0.6 0.286 82.7 95.0 -89.5 12.3 48.6 34.2 33.3 65 73 A I E < -c 33 0A 9 -3,-2.0 2,-0.5 -33,-0.2 -31,-0.2 -0.908 53.9-176.9-103.0 121.1 46.1 36.8 32.1 66 74 A T E -c 34 0A 63 -33,-2.7 -31,-2.3 -2,-0.6 2,-0.2 -0.972 16.4-144.7-122.1 130.1 43.9 38.2 34.9 67 75 A F E +c 35 0A 4 -2,-0.5 2,-0.3 -33,-0.2 -31,-0.2 -0.619 26.3 170.5 -85.5 145.7 41.1 40.8 34.5 68 76 A T E -c 36 0A 24 -33,-2.3 -31,-2.9 -2,-0.2 -29,-0.1 -0.989 36.9-153.1-152.9 156.0 40.5 43.3 37.2 69 77 A S S S+ 0 0 37 -2,-0.3 2,-0.9 -33,-0.2 -29,-0.1 0.367 72.7 98.8-109.9 2.2 38.5 46.5 37.9 70 78 A D > - 0 0 62 1,-0.2 4,-3.1 -30,-0.1 5,-0.1 -0.779 56.0-164.9 -97.2 102.2 41.0 47.8 40.4 71 79 A V H > S+ 0 0 15 -2,-0.9 4,-2.2 1,-0.2 5,-0.2 0.871 88.7 50.2 -51.8 -44.5 43.2 50.4 38.7 72 80 A E H > S+ 0 0 72 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.917 113.3 43.7 -63.9 -46.4 45.8 50.3 41.6 73 81 A K H 4 S+ 0 0 141 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.889 110.8 60.8 -65.3 -36.6 46.1 46.5 41.7 74 82 A A H < S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.2 -40,-0.2 0.952 115.4 26.6 -55.8 -57.8 46.2 46.6 37.9 75 83 A Y H >< S+ 0 0 18 -4,-2.2 3,-2.6 -5,-0.1 -1,-0.2 0.689 87.4 119.1 -84.3 -18.0 49.4 48.7 37.5 76 84 A N T 3< S+ 0 0 110 -4,-1.7 3,-0.1 1,-0.3 25,-0.0 -0.276 92.9 0.4 -57.2 123.2 51.2 47.9 40.7 77 85 A G T 3 S+ 0 0 35 1,-0.3 -1,-0.3 -68,-0.0 -68,-0.2 0.268 94.7 146.6 84.0 -11.0 54.5 46.3 39.9 78 86 A A < - 0 0 0 -3,-2.6 -1,-0.3 1,-0.1 -68,-0.2 -0.254 35.1-164.8 -59.5 145.4 53.8 46.6 36.1 79 87 A E S S+ 0 0 71 -70,-2.7 2,-0.3 1,-0.3 -69,-0.2 0.344 78.3 29.4-112.5 1.0 57.0 47.1 34.0 80 88 A I S S- 0 0 0 -71,-0.3 -69,-2.0 30,-0.2 2,-0.4 -0.933 70.7-156.4-153.6 141.8 55.1 48.2 30.9 81 89 A I E -bd 11 112A 0 30,-2.2 32,-3.0 -2,-0.3 2,-0.4 -0.994 5.8-162.8-125.3 127.4 51.7 49.9 30.7 82 90 A L E -bd 12 113A 0 -71,-2.6 -69,-3.2 -2,-0.4 2,-0.5 -0.897 4.4-155.0-110.3 137.1 49.5 49.7 27.6 83 91 A F E +bd 13 114A 0 30,-2.3 32,-2.7 -2,-0.4 33,-0.7 -0.964 31.6 148.8-110.0 127.5 46.6 52.1 27.0 84 92 A V + 0 0 22 -71,-3.6 -70,-0.2 -2,-0.5 -68,-0.2 0.190 28.8 136.6-137.1 12.0 43.8 50.9 24.8 85 93 A I - 0 0 6 -72,-0.8 5,-0.1 1,-0.1 -71,-0.1 -0.331 68.8 -93.2 -59.2 135.0 41.0 52.9 26.5 86 94 A P >> - 0 0 60 0, 0.0 3,-2.3 0, 0.0 4,-1.1 -0.260 34.7-115.3 -54.6 141.4 38.7 54.5 23.9 87 95 A T H >> S+ 0 0 8 30,-0.5 3,-1.1 1,-0.3 4,-0.6 0.872 113.5 56.6 -45.3 -51.3 39.8 58.1 22.9 88 96 A Q H 34 S+ 0 0 125 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.661 112.7 41.0 -61.2 -17.9 36.6 59.6 24.3 89 97 A F H <> S+ 0 0 125 -3,-2.3 4,-2.0 2,-0.1 -1,-0.3 0.535 91.6 89.3-105.1 -7.9 37.3 58.1 27.8 90 98 A L H S+ 0 0 37 -4,-0.3 4,-2.8 1,-0.2 5,-0.3 0.854 105.7 58.7 -57.7 -35.0 38.5 61.3 32.1 93 101 A F H X>S+ 0 0 15 -4,-2.0 4,-2.8 1,-0.2 5,-0.5 0.935 109.1 42.4 -62.4 -44.8 40.3 58.2 33.1 94 102 A F H X5S+ 0 0 4 -4,-1.7 4,-1.6 -3,-0.3 5,-0.3 0.918 116.5 48.3 -68.3 -41.2 43.4 60.1 34.1 95 103 A E H <5S+ 0 0 135 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.897 123.2 32.0 -64.4 -42.1 41.6 62.9 35.8 96 104 A K H <5S+ 0 0 177 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.818 140.9 7.9 -88.0 -32.4 39.4 60.5 37.8 97 105 A S H <5S+ 0 0 40 -4,-2.8 4,-0.4 -5,-0.3 -3,-0.2 0.382 105.5 81.7-134.2 2.7 41.6 57.5 38.4 98 106 A G X< + 0 0 0 -4,-1.6 4,-3.5 -5,-0.5 5,-0.3 0.530 57.0 99.9 -96.4 -2.7 45.2 58.3 37.2 99 107 A G H > S+ 0 0 56 -5,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.907 94.4 30.8 -48.8 -56.1 46.7 60.2 40.1 100 108 A N H > S+ 0 0 103 -3,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.891 118.1 57.3 -72.9 -36.3 48.7 57.4 41.7 101 109 A L H > S+ 0 0 0 -4,-0.4 4,-3.1 1,-0.2 -2,-0.2 0.925 108.3 47.3 -57.0 -47.8 49.2 55.6 38.3 102 110 A I H X S+ 0 0 21 -4,-3.5 4,-2.6 2,-0.2 5,-0.2 0.928 111.6 49.8 -61.0 -47.8 50.9 58.8 37.0 103 111 A A H X S+ 0 0 53 -4,-1.9 4,-2.8 -5,-0.3 -2,-0.2 0.924 112.7 48.2 -56.3 -45.0 53.0 59.1 40.1 104 112 A Y H X S+ 0 0 43 -4,-3.0 4,-3.0 2,-0.2 5,-0.3 0.962 111.6 48.8 -61.7 -50.6 54.1 55.4 39.8 105 113 A A H X>S+ 0 0 0 -4,-3.1 5,-1.3 1,-0.2 4,-0.7 0.899 115.6 44.1 -56.0 -43.6 54.9 55.8 36.1 106 114 A K H <5S+ 0 0 111 -4,-2.6 3,-0.4 2,-0.2 -1,-0.2 0.932 115.6 47.7 -66.4 -47.4 57.0 58.9 36.7 107 115 A E H <5S+ 0 0 149 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.931 122.3 32.8 -59.3 -50.8 58.7 57.5 39.7 108 116 A K H <5S- 0 0 131 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.383 100.8-128.3 -92.3 2.8 59.6 54.1 38.2 109 117 A Q T <5 - 0 0 120 -4,-0.7 -3,-0.2 -3,-0.4 -4,-0.1 0.909 39.4-174.4 49.5 49.8 60.1 55.4 34.6 110 118 A V < - 0 0 6 -5,-1.3 -1,-0.2 -6,-0.2 -30,-0.2 -0.591 26.0-115.1 -79.6 130.7 57.7 52.7 33.3 111 119 A P - 0 0 29 0, 0.0 -30,-2.2 0, 0.0 2,-0.5 -0.430 28.2-153.6 -65.6 139.3 57.4 52.5 29.5 112 120 A V E -de 81 140A 0 27,-2.3 29,-1.8 -32,-0.2 2,-0.6 -0.976 3.9-159.4-120.4 128.6 53.9 53.4 28.2 113 121 A L E -de 82 141A 0 -32,-3.0 -30,-2.3 -2,-0.5 2,-0.6 -0.923 8.6-149.3-114.7 113.4 52.6 52.0 24.9 114 122 A V E +de 83 142A 0 27,-3.1 29,-2.1 -2,-0.6 -30,-0.1 -0.728 30.5 156.7 -89.2 122.5 49.7 53.8 23.3 115 123 A C + 0 0 3 -32,-2.7 -31,-0.2 -2,-0.6 -1,-0.2 0.364 39.6 110.0-122.0 -5.7 47.4 51.6 21.3 116 124 A T - 0 0 9 -33,-0.7 2,-0.3 -30,-0.1 12,-0.2 -0.468 51.4-161.0 -72.4 146.3 44.3 53.7 21.4 117 125 A K + 0 0 44 -33,-0.2 -30,-0.5 -2,-0.1 2,-0.3 -0.993 36.2 60.5-135.0 141.5 43.3 55.3 18.1 118 126 A G S S- 0 0 4 -2,-0.3 2,-0.4 78,-0.3 82,-0.1 -0.928 71.7 -76.2 143.4-168.5 41.1 58.3 17.2 119 127 A I - 0 0 11 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.994 35.2-126.1-134.4 128.0 40.6 62.0 17.7 120 128 A E > - 0 0 14 5,-2.6 4,-1.9 -2,-0.4 5,-0.3 -0.562 19.0-141.9 -72.4 130.9 39.3 63.7 20.8 121 129 A R T 4 S+ 0 0 107 -2,-0.3 -1,-0.1 1,-0.2 -33,-0.0 0.876 92.5 49.5 -65.2 -38.7 36.4 65.9 19.9 122 130 A S T 4 S+ 0 0 100 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.857 127.8 18.5 -72.8 -34.1 37.0 68.8 22.3 123 131 A T T 4 S- 0 0 53 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.491 89.8-129.9-114.5 -11.4 40.7 69.4 21.5 124 132 A L < + 0 0 13 -4,-1.9 2,-0.3 1,-0.2 -3,-0.1 0.813 61.5 141.3 59.7 32.1 41.2 67.7 18.2 125 133 A K - 0 0 64 -5,-0.3 -5,-2.6 1,-0.0 -1,-0.2 -0.715 50.9-119.3-105.0 157.3 44.3 65.8 19.7 126 134 A F >> - 0 0 2 -2,-0.3 4,-2.1 -7,-0.2 3,-0.6 -0.480 34.9 -98.7 -90.2 161.5 45.4 62.2 19.1 127 135 A P H 3> S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.833 120.6 47.8 -53.0 -45.0 45.6 59.6 21.9 128 136 A A H 3> S+ 0 0 14 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.809 111.8 53.3 -67.9 -29.0 49.4 59.8 22.6 129 137 A E H <4 S+ 0 0 66 -3,-0.6 4,-0.3 2,-0.2 -1,-0.2 0.899 110.7 45.9 -68.4 -43.6 49.1 63.6 22.6 130 138 A I H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.2 4,-0.4 0.950 113.8 47.7 -62.9 -50.0 46.3 63.4 25.2 131 139 A I H >X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.3 3,-1.9 0.865 103.6 63.9 -59.1 -34.1 48.2 60.8 27.3 132 140 A G T 3< S+ 0 0 23 -4,-1.8 5,-0.3 1,-0.3 -1,-0.3 0.586 89.2 67.4 -68.4 -9.6 51.3 63.1 27.0 133 141 A E T <4 S+ 0 0 91 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.736 116.2 26.6 -77.1 -19.2 49.4 65.7 28.9 134 142 A F T <4 S+ 0 0 42 -3,-1.9 -2,-0.2 -4,-0.4 -3,-0.1 0.691 122.1 46.4-114.9 -29.3 49.6 63.4 31.9 135 143 A L S < S- 0 0 3 -4,-2.4 -1,-0.2 -30,-0.0 2,-0.1 -0.941 95.2 -92.7-120.2 142.2 52.7 61.2 31.4 136 144 A P > - 0 0 37 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.311 30.4-135.7 -54.7 123.9 56.2 62.4 30.3 137 145 A S G > S+ 0 0 79 -5,-0.3 3,-1.8 1,-0.3 28,-0.2 0.743 100.2 68.7 -55.4 -30.6 56.5 62.2 26.6 138 146 A P G 3 S+ 0 0 94 0, 0.0 -1,-0.3 0, 0.0 28,-0.1 0.790 100.6 50.4 -58.7 -27.5 60.0 60.6 26.8 139 147 A L G < S+ 0 0 13 -3,-2.3 -27,-2.3 -28,-0.1 2,-0.4 0.433 95.0 101.4 -86.4 -2.2 58.2 57.5 28.2 140 148 A L E < +e 112 0A 15 -3,-1.8 25,-0.3 -4,-0.2 2,-0.3 -0.714 38.9 163.2-100.0 135.9 55.7 57.4 25.4 141 149 A S E -e 113 0A 0 -29,-1.8 -27,-3.1 -2,-0.4 2,-0.4 -0.925 24.8-136.1-135.9 163.4 55.6 55.1 22.3 142 150 A V E -eF 114 163A 8 21,-2.7 21,-3.1 -2,-0.3 2,-0.5 -0.969 6.7-152.6-125.4 136.5 52.8 54.2 19.8 143 151 A L E + F 0 162A 1 -29,-2.1 2,-0.3 -2,-0.4 19,-0.2 -0.929 30.0 149.5-109.1 125.9 52.0 50.7 18.4 144 152 A A E + F 0 161A 0 17,-2.2 17,-3.0 -2,-0.5 107,-0.2 -0.988 9.0 108.5-154.4 145.9 50.4 50.6 15.0 145 153 A G S S- 0 0 0 -2,-0.3 2,-1.0 15,-0.2 106,-0.2 -0.931 76.0 -48.5 166.3 176.4 50.4 48.2 12.0 146 154 A P S S+ 0 0 30 0, 0.0 13,-0.5 0, 0.0 109,-0.1 -0.595 73.4 150.0 -72.5 102.4 48.2 45.7 10.1 147 155 A S - 0 0 12 -2,-1.0 11,-0.1 11,-0.1 13,-0.0 -0.461 31.0-166.8-145.9 66.9 47.0 43.8 13.2 148 156 A F > - 0 0 70 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.307 28.5-130.4 -49.1 131.5 43.5 42.1 13.0 149 157 A A H > S+ 0 0 21 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.890 101.2 53.3 -62.7 -44.6 42.9 41.2 16.7 150 158 A I H > S+ 0 0 91 1,-0.2 4,-1.9 2,-0.2 6,-0.2 0.951 111.5 47.5 -58.2 -45.1 41.8 37.6 16.2 151 159 A E H 4>S+ 0 0 78 1,-0.2 5,-2.4 2,-0.2 4,-0.3 0.935 115.0 45.2 -61.5 -46.2 45.0 36.9 14.3 152 160 A V H ><5S+ 0 0 6 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.944 111.9 51.8 -61.7 -46.6 47.2 38.6 16.9 153 161 A A H 3<5S+ 0 0 5 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.810 113.0 45.8 -61.4 -30.1 45.4 36.9 19.8 154 162 A T T 3<5S- 0 0 76 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.306 116.8-109.3 -98.2 7.8 45.9 33.5 18.3 155 163 A G T < 5 + 0 0 30 -3,-1.5 2,-0.3 -4,-0.3 -3,-0.2 0.677 59.7 158.0 77.5 17.1 49.5 33.9 17.4 156 164 A V < - 0 0 74 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.615 60.7 -78.4 -76.4 133.5 49.1 34.1 13.6 157 165 A F + 0 0 130 -2,-0.3 2,-0.3 27,-0.1 27,-0.2 -0.002 63.9 169.8 -43.4 122.9 52.1 36.0 12.1 158 166 A T E - 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0 0 1 5,-1.8 3,-1.6 -2,-0.3 5,-0.1 -0.506 10.0-122.0 -92.7 155.7 57.7 37.2 20.7 180 188 A G T 3 S+ 0 0 49 1,-0.3 -1,-0.1 -152,-0.3 -2,-0.0 0.770 113.3 51.2 -64.6 -25.9 60.1 34.3 21.1 181 189 A D T 3 S- 0 0 103 3,-0.0 -1,-0.3 1,-0.0 -3,-0.0 0.429 110.4-120.6 -92.0 3.7 58.5 32.4 18.3 182 190 A R S < S+ 0 0 146 -3,-1.6 3,-0.2 2,-0.2 -2,-0.1 0.710 78.6 123.8 66.2 24.6 58.6 35.4 15.9 183 191 A S S S+ 0 0 11 1,-0.3 -25,-2.4 -26,-0.1 2,-0.5 0.675 74.7 42.6 -83.4 -21.8 54.8 35.4 15.5 184 192 A F E S-g 158 0A 4 -27,-0.2 -5,-1.8 -5,-0.1 2,-0.5 -0.957 77.1-178.5-129.0 109.0 54.7 39.0 16.6 185 193 A V E -g 159 0A 11 -27,-2.7 -25,-2.3 -2,-0.5 2,-0.3 -0.947 8.6-159.2-118.0 127.3 57.4 41.1 15.1 186 194 A C E -g 160 0A 3 -2,-0.5 2,-0.4 -12,-0.3 -25,-0.2 -0.830 1.4-159.4-108.9 143.6 57.9 44.9 15.8 187 195 A W E -g 161 0A 145 -27,-2.2 -25,-2.7 -2,-0.3 2,-0.2 -0.975 20.2-126.0-122.1 134.6 59.8 47.4 13.7 188 196 A A E +g 162 0A 34 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.574 35.0 158.9 -87.2 145.0 61.1 50.7 15.2 189 197 A T E -g 163 0A 20 -27,-1.9 -25,-1.9 -2,-0.2 -19,-0.1 -0.968 40.4-137.8-153.5 162.2 60.3 54.2 13.8 190 198 A T S S+ 0 0 48 -2,-0.3 2,-2.3 -27,-0.2 3,-0.3 0.596 73.6 105.0 -95.1 -14.3 60.3 57.8 15.0 191 199 A D > + 0 0 2 1,-0.2 4,-2.1 2,-0.1 5,-0.1 -0.329 28.3 150.8 -80.6 70.9 57.0 58.7 13.3 192 200 A T H > S+ 0 0 38 -2,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.904 76.0 51.1 -61.6 -43.0 54.5 58.9 16.2 193 201 A V H > S+ 0 0 25 -3,-0.3 4,-2.8 1,-0.2 5,-0.2 0.947 108.1 51.3 -63.3 -47.7 52.4 61.5 14.4 194 202 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.906 110.5 50.6 -55.0 -41.5 52.2 59.5 11.2 195 203 A C H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.942 112.1 45.1 -62.8 -46.9 51.1 56.5 13.2 196 204 A E H X S+ 0 0 12 -4,-2.4 4,-1.4 2,-0.2 -78,-0.3 0.888 114.3 49.1 -66.9 -38.5 48.3 58.3 15.0 197 205 A V H X S+ 0 0 0 -4,-2.8 4,-3.1 -5,-0.2 3,-0.4 0.957 113.3 45.9 -62.8 -51.0 47.1 60.0 11.8 198 206 A A H X S+ 0 0 1 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.916 110.0 55.2 -56.9 -44.0 47.0 56.8 9.8 199 207 A S H < S+ 0 0 4 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.796 116.3 36.6 -64.4 -30.2 45.3 55.0 12.7 200 208 A A H >X S+ 0 0 0 -4,-1.4 3,-1.1 -3,-0.4 4,-0.8 0.902 117.6 48.0 -85.0 -49.8 42.5 57.5 12.8 201 209 A V H >X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.3 3,-0.6 0.831 98.4 69.5 -64.0 -30.9 42.1 58.3 9.1 202 210 A K H 3X S+ 0 0 17 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.3 0.835 96.0 55.6 -58.2 -31.2 42.0 54.6 8.1 203 211 A N H <> S+ 0 0 17 -3,-1.1 4,-1.0 -4,-0.3 88,-0.4 0.855 108.2 46.3 -70.3 -35.9 38.6 54.3 9.7 204 212 A V H XX S+ 0 0 0 -4,-0.8 4,-1.5 -3,-0.6 3,-0.7 0.936 113.2 49.5 -68.3 -47.5 37.2 57.1 7.7 205 213 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.859 103.0 61.6 -61.5 -33.9 38.7 55.7 4.5 206 214 A A H 3X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.860 100.1 54.4 -60.5 -35.4 37.3 52.3 5.3 207 215 A I H S+ 0 0 12 -4,-2.6 5,-2.4 1,-0.2 4,-0.3 0.900 110.2 47.6 -56.1 -45.1 32.7 52.0 -3.4 213 221 A N H ><5S+ 0 0 49 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.931 111.3 50.5 -61.6 -45.1 31.5 48.4 -2.9 214 222 A G H 3<5S+ 0 0 13 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.781 104.6 59.2 -64.0 -26.2 27.9 49.6 -2.4 215 223 A L T 3<5S- 0 0 20 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.524 123.6-103.1 -79.5 -6.6 28.1 51.6 -5.6 216 224 A G T < 5S+ 0 0 68 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.543 75.7 141.3 93.3 9.8 28.9 48.5 -7.6 217 225 A M < - 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