==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE (CHOH(D)-NADP) 13-JAN-05 2BHL . COMPND 2 MOLECULE: GLUCOSE-6-PHOSPHATE 1-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.KOTAKA,S.GOVER,V.M.S.LAM,M.J.ADAMS . 958 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39542.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 685 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 85 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 10.9 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 . 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 . 89 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 254 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.4 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 4 4 1 0 2 1 7 4 2 3 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 4 2 5 1 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 0 0 2 2 2 2 2 2 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 2 0 0 0 0 0 0 0 0 0 0 1 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 27 A V 0 0 99 0, 0.0 108,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-140.8 30.1 135.1 2.3 2 28 A Q + 0 0 167 1,-0.1 35,-0.4 34,-0.1 3,-0.0 0.167 360.0 36.3-105.6 16.3 31.0 135.3 6.0 3 29 A S S S+ 0 0 82 33,-0.1 -1,-0.1 34,-0.1 2,-0.1 0.364 99.0 105.2-136.3 -22.6 32.6 138.7 5.3 4 30 A D S S- 0 0 65 1,-0.1 34,-0.3 33,-0.0 2,-0.3 -0.327 74.8-112.4 -68.7 148.8 30.1 139.8 2.6 5 31 A T - 0 0 13 102,-0.1 104,-2.2 99,-0.1 2,-0.3 -0.614 36.0-169.6 -84.3 134.7 27.5 142.5 3.2 6 32 A H E -ab 39 109A 4 32,-3.3 34,-2.5 -2,-0.3 2,-0.4 -0.950 14.4-156.1-127.1 148.1 23.9 141.2 3.2 7 33 A I E -ab 40 110A 1 102,-2.6 104,-2.4 -2,-0.3 2,-0.7 -0.987 5.3-158.3-122.8 130.1 20.5 143.0 3.2 8 34 A F E -ab 41 111A 0 32,-4.1 34,-1.3 -2,-0.4 2,-0.8 -0.838 10.8-163.5-111.2 92.8 17.4 141.2 4.5 9 35 A I E -ab 42 112A 0 102,-2.1 104,-2.8 -2,-0.7 2,-1.1 -0.668 2.9-160.3 -81.1 110.2 14.4 142.8 3.0 10 36 A I E > -ab 43 113A 0 32,-1.9 34,-2.1 -2,-0.8 3,-0.8 -0.724 8.9-158.5 -93.1 92.9 11.2 141.9 4.9 11 37 A M E 3 S+ab 44 114A 0 102,-2.5 104,-3.3 -2,-1.1 34,-0.2 -0.592 80.6 22.9 -74.6 122.1 8.3 142.7 2.5 12 38 A G T > S+ 0 0 5 32,-3.2 3,-1.7 -2,-0.4 6,-0.4 0.799 78.1 167.1 88.3 35.9 5.0 143.1 4.5 13 39 A A T < + 0 0 0 31,-1.4 32,-0.1 -3,-0.8 -2,-0.1 0.626 69.1 54.6 -57.6 -22.4 7.0 144.0 7.6 14 40 A S T 3 S+ 0 0 33 30,-0.2 -1,-0.3 4,-0.1 31,-0.1 0.588 88.3 107.3 -89.1 -12.4 3.9 145.3 9.5 15 41 A G S <> S- 0 0 25 -3,-1.7 4,-1.8 100,-0.2 5,-0.1 0.102 83.4-111.6 -55.9 176.7 2.1 142.1 8.9 16 42 A D H > S+ 0 0 90 2,-0.2 4,-1.5 3,-0.2 5,-0.2 0.851 116.8 49.8 -85.0 -33.0 1.4 139.6 11.7 17 43 A L H >>S+ 0 0 58 2,-0.2 4,-2.4 3,-0.2 5,-2.0 0.879 113.6 48.0 -71.2 -37.4 3.7 136.9 10.3 18 44 A A H 4>S+ 0 0 0 -6,-0.4 5,-3.0 97,-0.3 -2,-0.2 0.996 119.2 36.9 -63.2 -62.1 6.5 139.5 9.9 19 45 A K H <5S+ 0 0 49 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.654 126.8 39.2 -66.7 -16.9 6.1 140.9 13.4 20 46 A K H <5S+ 0 0 93 -4,-1.5 -1,-0.2 3,-0.1 -3,-0.2 0.690 134.7 4.7-107.7 -23.3 5.3 137.5 15.0 21 47 A K T X5S+ 0 0 59 -4,-2.4 4,-2.3 -5,-0.2 -3,-0.2 0.675 124.7 45.6-123.9 -60.6 7.7 135.2 13.2 22 48 A I H > S+ 0 0 1 0, 0.0 4,-1.4 0, 0.0 -2,-0.2 0.868 116.7 49.0 -56.1 -34.1 11.7 137.6 16.1 25 51 A T H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 3,-0.4 0.959 107.8 51.8 -69.7 -51.6 13.4 134.8 14.1 26 52 A I H X S+ 0 0 0 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.827 109.3 52.6 -56.7 -31.0 15.9 137.1 12.3 27 53 A W H X S+ 0 0 0 -4,-2.0 4,-3.9 2,-0.2 -1,-0.2 0.861 105.6 51.5 -74.9 -37.0 16.9 138.5 15.7 28 54 A W H X S+ 0 0 20 -4,-1.4 4,-3.4 -3,-0.4 5,-0.2 0.945 109.1 50.5 -63.1 -48.5 17.6 135.2 17.4 29 55 A L H <>S+ 0 0 0 -4,-2.1 5,-3.4 1,-0.2 6,-1.2 0.873 114.9 47.9 -53.9 -36.4 19.9 134.3 14.4 30 56 A F H ><5S+ 0 0 39 -4,-1.1 3,-1.7 -5,-0.3 -2,-0.3 0.979 113.5 42.8 -67.7 -60.1 21.4 137.7 15.2 31 57 A R H 3<5S+ 0 0 38 -4,-3.9 -2,-0.2 1,-0.3 -3,-0.2 0.844 112.4 52.8 -56.0 -42.1 21.8 137.3 18.9 32 58 A D T 3<5S- 0 0 74 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.2 0.448 116.6-119.0 -76.7 1.0 23.1 133.7 18.7 33 59 A G T < 5S+ 0 0 58 -3,-1.7 -3,-0.2 -5,-0.2 -2,-0.1 0.849 76.8 124.9 64.5 43.7 25.6 135.2 16.2 34 60 A L < + 0 0 75 -5,-3.4 -4,-0.2 -6,-0.2 -5,-0.1 0.727 48.7 85.1-100.8 -28.8 24.6 133.1 13.1 35 61 A L S S- 0 0 23 -6,-1.2 2,-0.1 -9,-0.1 4,-0.1 -0.402 93.0 -96.9 -71.9 151.5 24.0 136.0 10.7 36 62 A P > - 0 0 21 0, 0.0 3,-0.5 0, 0.0 -30,-0.1 -0.412 36.1-109.4 -71.0 146.3 27.0 137.4 8.9 37 63 A E T 3 S+ 0 0 146 -35,-0.4 2,-1.7 1,-0.3 -32,-0.1 0.879 110.6 50.2 -39.4 -62.2 28.6 140.5 10.4 38 64 A N T 3 S+ 0 0 58 -34,-0.3 -32,-3.3 -35,-0.1 2,-0.4 -0.407 78.8 137.8 -87.1 64.2 27.5 143.0 7.7 39 65 A T E < -a 6 0A 7 -2,-1.7 2,-0.4 -3,-0.5 -32,-0.2 -0.877 32.4-164.8-110.6 140.0 23.8 142.2 7.5 40 66 A F E -a 7 0A 26 -34,-2.5 -32,-4.1 -2,-0.4 2,-0.6 -0.972 10.6-146.4-124.1 140.7 21.1 144.9 7.3 41 67 A I E -ac 8 79A 3 37,-3.0 39,-1.8 -2,-0.4 2,-0.6 -0.917 17.6-176.1-111.0 113.0 17.4 144.4 7.9 42 68 A V E -ac 9 80A 0 -34,-1.3 -32,-1.9 -2,-0.6 2,-0.3 -0.929 10.0-155.8-112.1 116.2 15.1 146.5 5.8 43 69 A G E -ac 10 81A 0 37,-2.7 39,-1.2 -2,-0.6 2,-0.4 -0.666 9.0-169.0 -88.7 141.7 11.4 146.4 6.3 44 70 A Y E +ac 11 82A 0 -34,-2.1 -32,-3.2 -2,-0.3 -31,-1.4 -0.998 27.1 118.0-133.5 128.2 9.1 147.4 3.4 45 71 A A E - c 0 83A 0 37,-1.3 39,-2.5 -2,-0.4 4,-0.1 -0.880 62.7 -99.0-163.4-165.9 5.4 147.9 3.8 46 72 A R S S+ 0 0 125 -2,-0.3 2,-0.2 37,-0.3 -1,-0.1 0.880 88.5 88.8 -95.6 -62.1 2.6 150.5 3.4 47 73 A S S S- 0 0 64 1,-0.1 2,-0.4 36,-0.1 -1,-0.0 -0.241 85.4-125.6 -44.6 101.0 1.9 151.8 6.9 48 74 A R + 0 0 228 -2,-0.2 2,-0.2 35,-0.1 -1,-0.1 -0.412 52.4 157.8 -55.9 107.5 4.4 154.7 7.1 49 75 A L - 0 0 39 -2,-0.4 2,-0.3 -4,-0.1 34,-0.2 -0.760 40.2-119.6-131.7-178.9 6.4 153.8 10.2 50 76 A T >> - 0 0 72 -2,-0.2 4,-1.8 1,-0.1 3,-0.9 -0.877 33.1-114.5-120.6 152.3 9.6 154.1 12.2 51 77 A V H 3> S+ 0 0 39 -2,-0.3 4,-1.7 1,-0.3 5,-0.1 0.812 118.7 65.7 -55.9 -21.5 12.0 151.5 13.3 52 78 A A H 3> S+ 0 0 68 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.920 101.0 43.8 -65.9 -46.8 10.7 152.6 16.7 53 79 A D H <> S+ 0 0 67 -3,-0.9 4,-2.0 1,-0.2 3,-0.3 0.967 110.6 55.6 -61.4 -54.7 7.1 151.3 16.1 54 80 A I H X S+ 0 0 2 -4,-1.8 4,-1.5 1,-0.2 5,-0.3 0.832 105.5 53.1 -45.8 -41.1 8.4 148.1 14.6 55 81 A R H X S+ 0 0 43 -4,-1.7 4,-2.9 -5,-0.2 3,-0.3 0.955 108.9 49.1 -62.7 -46.2 10.4 147.4 17.8 56 82 A K H < S+ 0 0 170 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.797 114.0 43.8 -64.8 -33.7 7.3 147.9 20.0 57 83 A Q H < S+ 0 0 49 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.705 125.0 31.8 -89.2 -17.3 5.0 145.6 18.0 58 84 A S H >< S+ 0 0 0 -4,-1.5 3,-1.7 -3,-0.3 -2,-0.2 0.662 98.9 82.6-107.7 -22.1 7.5 142.7 17.5 59 85 A E G >< S+ 0 0 73 -4,-2.9 3,-0.9 -5,-0.3 5,-0.3 0.678 82.1 63.1 -59.8 -20.7 9.5 143.1 20.7 60 86 A P G 3 S+ 0 0 91 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.183 104.4 50.5 -89.5 22.2 7.0 141.1 22.7 61 87 A F G < S+ 0 0 75 -3,-1.7 -2,-0.2 -42,-0.1 -3,-0.0 0.207 80.9 95.7-131.5 1.4 7.9 138.2 20.5 62 88 A F S < S- 0 0 0 -3,-0.9 3,-0.1 -4,-0.1 -3,-0.1 0.755 77.8-142.9 -72.6 -19.3 11.6 138.4 20.9 63 89 A K + 0 0 119 -4,-0.2 2,-0.1 1,-0.2 -1,-0.1 0.769 50.3 161.7 64.1 21.0 11.7 135.8 23.7 64 90 A A - 0 0 40 -5,-0.3 -1,-0.2 1,-0.0 -2,-0.1 -0.376 35.3-141.9 -81.0 154.5 14.3 138.2 24.9 65 91 A T > - 0 0 60 -3,-0.1 3,-2.1 -2,-0.1 -1,-0.0 -0.750 27.2-113.0-112.0 157.0 15.8 138.6 28.4 66 92 A P G > S+ 0 0 104 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.795 113.1 71.6 -56.3 -31.7 16.7 141.8 30.2 67 93 A E G 3 S+ 0 0 181 1,-0.3 3,-0.2 2,-0.1 4,-0.1 0.606 97.9 51.5 -60.0 -13.9 20.3 140.7 30.0 68 94 A E G <> + 0 0 38 -3,-2.1 4,-1.2 1,-0.1 -1,-0.3 -0.020 66.1 120.6-118.0 31.6 20.1 141.5 26.2 69 95 A K T <4 S+ 0 0 146 -3,-1.6 4,-0.4 1,-0.2 -1,-0.1 0.795 81.0 46.2 -64.8 -28.7 18.7 145.0 26.2 70 96 A L T >> S+ 0 0 121 -3,-0.2 4,-2.6 2,-0.2 3,-1.0 0.863 102.0 60.0 -82.7 -41.2 21.8 146.2 24.4 71 97 A K H 3> S+ 0 0 85 1,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.855 102.2 57.7 -54.6 -34.4 22.1 143.5 21.7 72 98 A L H 3X S+ 0 0 5 -4,-1.2 4,-3.4 2,-0.2 -1,-0.3 0.792 106.1 47.8 -65.4 -32.1 18.6 144.7 20.6 73 99 A E H <> S+ 0 0 94 -3,-1.0 4,-1.3 -4,-0.4 -2,-0.2 0.909 110.5 50.8 -73.2 -42.1 20.0 148.1 20.1 74 100 A D H < S+ 0 0 83 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.892 116.8 44.0 -57.4 -39.5 22.8 146.5 18.2 75 101 A F H >< S+ 0 0 3 -4,-2.6 3,-2.3 -5,-0.2 -2,-0.2 0.958 113.3 44.9 -70.0 -59.9 20.1 144.8 16.2 76 102 A F H >< S+ 0 0 17 -4,-3.4 3,-1.0 1,-0.3 -1,-0.2 0.619 101.7 72.5 -63.8 -11.3 17.6 147.6 15.6 77 103 A A T 3< S+ 0 0 78 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.540 98.5 46.8 -78.8 -8.9 20.7 149.6 14.7 78 104 A R T < S+ 0 0 62 -3,-2.3 -37,-3.0 -5,-0.1 2,-0.3 0.144 97.6 103.0-114.6 12.6 20.8 147.6 11.5 79 105 A N E < +c 41 0A 17 -3,-1.0 2,-0.3 -39,-0.2 -37,-0.2 -0.737 41.2 165.9-101.1 150.8 17.1 148.1 10.9 80 106 A S E -c 42 0A 15 -39,-1.8 -37,-2.7 -2,-0.3 2,-0.3 -0.917 19.5-142.5-150.7 171.0 15.4 150.4 8.4 81 107 A Y E -c 43 0A 27 -2,-0.3 2,-0.3 -39,-0.2 -37,-0.2 -0.947 6.4-167.7-137.8 157.4 12.0 150.9 6.9 82 108 A V E -c 44 0A 12 -39,-1.2 -37,-1.3 -2,-0.3 2,-0.1 -0.772 14.9-152.5-150.2 96.6 10.7 151.9 3.5 83 109 A A E +c 45 0A 23 -2,-0.3 2,-0.3 -39,-0.2 -37,-0.3 -0.442 39.1 123.3 -66.0 143.8 7.0 152.8 3.3 84 110 A G - 0 0 7 -39,-2.5 2,-0.2 -2,-0.1 -2,-0.1 -0.972 55.4 -92.0 176.3 174.8 5.5 152.2 -0.1 85 111 A Q - 0 0 101 -2,-0.3 3,-0.4 3,-0.2 -40,-0.0 -0.560 32.2-120.5-101.3 170.5 2.8 150.5 -2.1 86 112 A Y S S+ 0 0 25 1,-0.2 41,-0.2 -2,-0.2 -1,-0.1 0.654 107.0 33.4 -90.9 -12.5 3.1 147.1 -3.7 87 113 A D S S+ 0 0 107 39,-0.1 2,-0.4 40,-0.1 -1,-0.2 -0.260 91.8 98.7-137.3 48.0 2.4 148.2 -7.3 88 114 A D > - 0 0 50 -3,-0.4 4,-1.1 1,-0.1 -3,-0.2 -0.990 55.0-157.9-131.9 118.0 3.9 151.7 -7.5 89 115 A A H > S+ 0 0 46 -2,-0.4 4,-1.6 1,-0.2 5,-0.1 0.585 91.2 65.1 -74.1 -10.4 7.4 151.9 -9.0 90 116 A A H > S+ 0 0 56 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.948 101.6 47.6 -73.0 -49.4 8.0 155.1 -7.3 91 117 A S H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.818 113.7 49.2 -57.9 -37.4 7.9 153.5 -3.9 92 118 A Y H X S+ 0 0 0 -4,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.857 102.9 56.7 -73.5 -39.7 10.2 150.7 -5.1 93 119 A Q H X S+ 0 0 97 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.795 109.1 52.8 -63.1 -21.0 12.8 153.1 -6.6 94 120 A R H X S+ 0 0 119 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.899 103.8 52.5 -76.3 -47.4 12.8 154.4 -3.0 95 121 A L H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.939 111.3 50.8 -55.1 -46.8 13.4 151.0 -1.4 96 122 A N H >X S+ 0 0 21 -4,-2.5 4,-2.5 2,-0.2 3,-1.6 0.974 107.3 46.3 -51.8 -80.7 16.4 150.6 -3.7 97 123 A S H 3X S+ 0 0 65 -4,-1.5 4,-2.0 1,-0.3 -1,-0.2 0.799 109.3 60.9 -33.3 -37.5 18.3 153.8 -3.2 98 124 A H H 3X S+ 0 0 54 -4,-1.8 4,-1.0 1,-0.2 3,-0.4 0.960 109.3 37.8 -59.5 -53.2 17.7 153.2 0.4 99 125 A M H << S+ 0 0 0 -4,-1.9 -2,-0.3 -3,-1.6 -1,-0.2 0.828 113.6 58.0 -65.3 -32.4 19.6 149.9 0.2 100 126 A N H < S+ 0 0 64 -4,-2.5 6,-0.5 1,-0.2 4,-0.3 0.781 104.5 52.6 -67.8 -24.9 22.0 151.6 -2.2 101 127 A A H < S+ 0 0 84 -4,-2.0 -1,-0.2 -3,-0.4 -2,-0.2 0.717 90.7 94.9 -80.1 -26.2 22.6 154.1 0.6 102 128 A L S >< S- 0 0 29 -4,-1.0 3,-2.4 -3,-0.2 2,-0.8 -0.260 103.4 -75.5 -61.8 155.9 23.4 151.3 3.0 103 129 A H T 3 S- 0 0 138 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 -0.442 118.1 -8.7 -62.5 106.0 27.1 150.6 3.4 104 130 A L T >> S+ 0 0 77 -2,-0.8 3,-2.2 -4,-0.3 4,-1.0 0.583 90.0 151.7 79.9 16.0 28.1 148.7 0.2 105 131 A G G X4 + 0 0 1 -3,-2.4 3,-0.8 1,-0.3 -5,-0.2 0.831 68.4 53.4 -44.2 -45.8 24.4 148.5 -0.7 106 132 A S G 34 S+ 0 0 53 -6,-0.5 30,-0.7 -4,-0.3 29,-0.6 0.771 115.3 41.7 -64.3 -24.1 25.2 148.4 -4.4 107 133 A Q G <4 S+ 0 0 104 -3,-2.2 -1,-0.2 29,-0.2 -2,-0.2 0.455 96.3 112.5-101.8 -6.2 27.5 145.5 -3.8 108 134 A A << - 0 0 0 -4,-1.0 29,-0.6 -3,-0.8 2,-0.4 -0.064 68.7-111.7 -71.6 170.8 25.5 143.5 -1.3 109 135 A N E -b 6 0A 8 -104,-2.2 -102,-2.6 28,-0.2 2,-0.5 -0.767 37.4-142.7 -98.3 136.8 23.7 140.2 -1.3 110 136 A R E -bd 7 139A 2 28,-3.3 30,-2.5 -2,-0.4 2,-0.6 -0.936 18.9-173.0-118.8 133.7 19.9 140.5 -1.2 111 137 A L E -bd 8 140A 0 -104,-2.4 -102,-2.1 -2,-0.5 2,-0.9 -0.940 6.4-166.4-121.6 107.9 17.2 138.5 0.6 112 138 A F E -bd 9 141A 0 28,-2.4 30,-3.0 -2,-0.6 2,-0.6 -0.835 5.7-169.4 -97.7 103.9 13.6 139.3 -0.2 113 139 A Y E -bd 10 142A 0 -104,-2.8 -102,-2.5 -2,-0.9 2,-1.0 -0.856 14.3-144.5 -92.6 120.9 11.4 137.7 2.4 114 140 A L E +b 11 0A 1 28,-2.1 30,-0.4 -2,-0.6 -102,-0.1 -0.739 28.9 166.5 -93.1 100.4 7.8 137.9 1.3 115 141 A A + 0 0 15 -104,-3.3 -97,-0.3 -2,-1.0 -98,-0.2 -0.248 47.2 103.2-103.3 45.4 5.5 138.4 4.2 116 142 A L S S- 0 0 14 -2,-0.1 28,-0.1 1,-0.1 -2,-0.0 -0.667 78.1 -82.6-120.3 173.7 2.5 139.4 2.1 117 143 A P >> - 0 0 71 0, 0.0 3,-1.2 0, 0.0 4,-0.7 -0.361 43.2-110.1 -72.0 157.1 -0.8 137.9 0.8 118 144 A P T 34 S+ 0 0 57 0, 0.0 4,-0.5 0, 0.0 -2,-0.0 0.525 113.8 69.4 -69.2 -4.8 -0.7 135.7 -2.4 119 145 A T T 34 S+ 0 0 118 1,-0.2 4,-0.5 2,-0.1 3,-0.3 0.836 103.3 43.2 -77.8 -34.8 -2.5 138.4 -4.3 120 146 A V T <> S+ 0 0 22 -3,-1.2 4,-2.6 1,-0.2 5,-0.3 0.616 89.1 88.7 -84.7 -17.0 0.5 140.6 -4.1 121 147 A Y H X S+ 0 0 4 -4,-0.7 4,-1.9 1,-0.2 5,-0.2 0.919 90.0 49.8 -47.5 -49.3 3.0 137.8 -4.9 122 148 A E H > S+ 0 0 98 -4,-0.5 4,-1.3 -3,-0.3 -1,-0.2 0.956 113.8 40.9 -53.6 -65.3 2.5 138.6 -8.6 123 149 A A H > S+ 0 0 15 -4,-0.5 4,-2.1 1,-0.2 5,-0.2 0.890 114.0 52.1 -53.6 -51.2 3.1 142.4 -8.5 124 150 A V H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.915 104.2 53.0 -55.9 -52.5 6.0 142.4 -6.1 125 151 A T H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.888 111.4 51.6 -51.5 -39.9 8.2 139.8 -7.8 126 152 A K H X S+ 0 0 82 -4,-1.3 4,-2.5 -5,-0.2 -2,-0.2 0.966 111.7 42.2 -59.0 -63.0 7.9 142.0 -10.9 127 153 A N H X>S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 5,-0.8 0.842 112.2 56.0 -58.5 -33.2 8.8 145.3 -9.3 128 154 A I H <5S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.918 112.9 41.3 -65.8 -39.7 11.6 143.5 -7.4 129 155 A H H <5S+ 0 0 87 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.828 117.3 51.7 -73.1 -29.2 12.9 142.4 -10.8 130 156 A E H <5S- 0 0 126 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.746 135.1 -15.4 -79.1 -28.9 12.1 145.9 -12.2 131 157 A S T <5S+ 0 0 12 -4,-2.4 2,-1.6 -5,-0.2 -3,-0.2 0.516 117.9 65.1-139.4 -66.2 13.9 148.0 -9.6 132 158 A C S S- 0 0 30 1,-0.1 4,-4.1 293,-0.0 5,-0.3 -0.778 83.1 -97.3-135.5 170.2 -4.8 124.3 -7.8 151 177 A L H > S+ 0 0 36 285,-0.3 4,-2.3 1,-0.2 5,-0.1 0.924 130.0 44.2 -48.7 -47.3 -2.2 122.7 -10.2 152 178 A Q H > S+ 0 0 134 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.872 114.1 50.1 -63.8 -41.7 -3.4 125.3 -12.7 153 179 A S H > S+ 0 0 29 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.935 113.5 44.1 -62.1 -51.2 -3.3 128.0 -10.1 154 180 A S H X S+ 0 0 1 -4,-4.1 4,-3.3 1,-0.2 5,-0.3 0.864 107.7 59.8 -63.4 -35.6 0.2 127.1 -8.9 155 181 A D H X S+ 0 0 47 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.898 104.2 52.0 -60.4 -39.2 1.4 126.9 -12.6 156 182 A R H X S+ 0 0 148 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.958 115.2 39.4 -60.5 -53.0 0.4 130.5 -13.0 157 183 A L H X S+ 0 0 22 -4,-1.6 4,-2.4 1,-0.2 5,-0.3 0.940 116.7 48.8 -61.7 -53.7 2.4 131.7 -10.0 158 184 A S H X S+ 0 0 9 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.819 112.5 50.1 -55.9 -38.1 5.4 129.4 -10.6 159 185 A N H X S+ 0 0 104 -4,-1.9 4,-0.6 -5,-0.3 -1,-0.2 0.862 110.7 47.8 -73.1 -38.4 5.5 130.5 -14.2 160 186 A H H >X S+ 0 0 27 -4,-1.8 3,-2.1 -5,-0.2 4,-0.9 0.997 115.0 44.5 -62.0 -65.1 5.4 134.2 -13.4 161 187 A I H >X S+ 0 0 3 -4,-2.4 4,-3.5 1,-0.3 3,-0.8 0.828 114.4 49.5 -45.8 -45.3 8.1 134.0 -10.8 162 188 A S H 3< S+ 0 0 51 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.604 100.2 65.9 -75.1 -11.5 10.3 131.7 -13.0 163 189 A S H << S+ 0 0 84 -3,-2.1 -1,-0.2 -4,-0.6 -2,-0.2 0.753 118.3 24.9 -77.7 -22.8 9.8 134.2 -15.8 164 190 A L H << S+ 0 0 36 -4,-0.9 2,-0.3 -3,-0.8 -2,-0.2 0.826 126.9 36.2-104.8 -47.2 11.7 136.6 -13.7 165 191 A F S < S- 0 0 4 -4,-3.5 -1,-0.2 -5,-0.2 2,-0.1 -0.753 71.0-127.1-114.2 155.7 13.9 134.5 -11.4 166 192 A R >> - 0 0 150 -2,-0.3 3,-1.0 -3,-0.1 4,-0.9 -0.315 35.0-102.7 -87.7 178.2 15.8 131.2 -11.7 167 193 A E T 34 S+ 0 0 41 1,-0.2 3,-0.4 2,-0.2 -1,-0.1 0.862 121.7 60.0 -73.1 -33.9 15.4 128.2 -9.4 168 194 A D T 34 S+ 0 0 83 1,-0.2 -1,-0.2 3,-0.1 3,-0.1 0.427 110.9 45.3 -73.0 7.1 18.7 129.0 -7.6 169 195 A Q T <4 S+ 0 0 13 -3,-1.0 -28,-3.3 -29,-0.1 2,-0.5 0.549 98.1 82.4-118.1 -23.5 17.0 132.3 -6.8 170 196 A I E < -e 141 0A 0 -4,-0.9 2,-0.6 -3,-0.4 -28,-0.2 -0.788 53.8-174.0 -92.7 124.0 13.6 130.9 -5.7 171 197 A Y E -e 142 0A 4 -30,-2.7 -28,-1.8 -2,-0.5 2,-0.3 -0.830 6.4-169.8-119.3 89.8 13.3 129.7 -2.1 172 198 A R E -eF 143 427A 3 -2,-0.6 255,-1.1 255,-0.6 2,-0.4 -0.624 19.5-133.5 -80.3 135.6 9.9 128.0 -1.6 173 199 A I + 0 0 8 -30,-1.8 -28,-0.3 -2,-0.3 2,-0.3 -0.818 39.9 157.1-106.3 138.6 9.2 127.3 2.0 174 200 A D > - 0 0 5 251,-0.5 3,-2.8 -2,-0.4 4,-0.2 -0.839 25.4-158.5-145.2 93.5 7.8 124.3 4.0 175 201 A H G > S+ 0 0 47 -2,-0.3 3,-2.3 1,-0.3 4,-0.1 0.699 86.6 72.5 -50.9 -23.1 9.0 124.7 7.5 176 202 A Y G > S+ 0 0 6 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.845 89.8 62.6 -62.6 -26.2 8.6 121.0 8.2 177 203 A L G < S+ 0 0 2 -3,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.551 101.5 52.0 -74.0 -6.5 11.6 120.6 6.0 178 204 A G G < S+ 0 0 0 -3,-2.3 2,-0.3 -4,-0.2 -1,-0.3 0.250 84.9 112.2-110.6 8.3 13.5 122.6 8.7 179 205 A K S <> S- 0 0 33 -3,-1.6 4,-2.3 -4,-0.1 5,-0.3 -0.675 72.9-122.6 -87.1 138.3 12.4 120.4 11.6 180 206 A E H > S+ 0 0 8 -2,-0.3 4,-1.4 228,-0.3 3,-0.1 0.882 107.1 38.2 -42.5 -66.5 15.1 118.3 13.4 181 207 A M H > S+ 0 0 0 187,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.833 113.5 58.0 -60.2 -33.9 13.7 114.8 13.0 182 208 A V H >4 S+ 0 0 2 1,-0.2 3,-1.0 2,-0.2 4,-0.4 0.933 109.4 44.3 -63.6 -41.3 12.5 115.6 9.5 183 209 A Q H 3X S+ 0 0 24 -4,-2.3 4,-0.6 1,-0.2 3,-0.4 0.747 105.2 63.8 -71.8 -26.6 16.0 116.5 8.4 184 210 A N H 3X S+ 0 0 0 -4,-1.4 4,-2.8 -5,-0.3 -1,-0.2 0.635 81.9 81.3 -74.1 -12.8 17.4 113.4 10.2 185 211 A L H S+ 0 0 18 -4,-0.4 4,-2.0 -3,-0.4 5,-0.2 0.892 116.1 35.8 -47.4 -55.0 18.1 111.4 5.2 187 213 A V H X S+ 0 0 6 -4,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.809 110.5 64.0 -72.2 -35.1 20.9 110.4 7.4 188 214 A L H < S+ 0 0 2 -4,-2.8 671,-0.2 1,-0.2 -2,-0.2 0.924 117.5 24.4 -56.2 -48.5 18.8 107.8 9.3 189 215 A R H < S+ 0 0 14 -4,-2.2 3,-0.3 -5,-0.2 -2,-0.2 0.853 128.4 40.9 -87.8 -40.3 18.3 105.7 6.3 190 216 A F H < S+ 0 0 14 -4,-2.0 644,-0.2 -5,-0.4 -3,-0.2 0.667 113.4 52.3 -87.4 -14.0 21.2 106.4 4.0 191 217 A A S < S+ 0 0 2 -4,-1.6 2,-0.4 -5,-0.2 -1,-0.2 0.467 106.5 62.1 -96.6 -3.9 23.9 106.5 6.6 192 218 A N - 0 0 3 -3,-0.3 3,-0.2 -4,-0.1 -1,-0.1 -0.978 51.3-164.8-133.1 144.9 23.0 103.1 8.2 193 219 A R S > S+ 0 0 56 -2,-0.4 3,-1.8 635,-0.2 -1,-0.1 0.779 90.5 72.2 -88.1 -34.3 22.9 99.5 7.1 194 220 A I T 3 S+ 0 0 8 1,-0.3 -1,-0.2 2,-0.1 484,-0.1 0.731 109.7 34.5 -53.8 -22.0 20.7 98.5 10.1 195 221 A F T 3 S+ 0 0 11 -3,-0.2 -1,-0.3 -7,-0.2 4,-0.2 0.243 101.5 80.8-116.9 7.2 17.9 100.3 8.3 196 222 A G S < S+ 0 0 29 -3,-1.8 3,-0.5 2,-0.1 -2,-0.1 0.933 90.5 39.9 -81.5 -53.8 18.6 99.6 4.6 197 223 A P S S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.504 113.5 53.8 -79.7 -6.6 17.4 96.1 3.8 198 224 A I S S+ 0 0 2 1,-0.1 2,-1.9 476,-0.1 5,-0.2 0.569 84.5 93.9 -97.9 -14.3 14.1 96.4 5.7 199 225 A W S S+ 0 0 4 -3,-0.5 2,-0.3 -4,-0.2 -1,-0.1 -0.283 74.5 74.1 -77.8 55.8 13.2 99.6 3.9 200 226 A N S >> S- 0 0 28 -2,-1.9 4,-3.1 -3,-0.1 3,-1.6 -0.968 95.3 -86.7-158.3 171.6 11.1 98.1 1.2 201 227 A R T 34 S+ 0 0 105 121,-3.0 122,-0.1 -2,-0.3 121,-0.1 0.765 118.1 64.6 -54.0 -30.0 7.8 96.5 0.2 202 228 A D T 34 S+ 0 0 103 120,-0.2 -1,-0.3 1,-0.2 -3,-0.1 0.828 119.8 19.0 -66.4 -32.8 9.2 93.1 1.2 203 229 A N T <4 S+ 0 0 14 -3,-1.6 145,-2.6 -5,-0.2 2,-0.6 0.693 109.1 80.2-110.4 -26.1 9.5 94.1 4.9 204 230 A I E < -G 347 0B 1 -4,-3.1 143,-0.3 143,-0.3 3,-0.1 -0.765 48.0-173.2 -92.7 121.4 7.2 97.1 5.3 205 231 A A E S- 0 0 9 141,-2.0 2,-0.3 -2,-0.6 142,-0.2 0.851 70.0 -27.7 -77.6 -36.7 3.5 96.4 5.7 206 232 A C E -G 346 0B 0 140,-1.8 140,-2.5 120,-0.2 2,-0.4 -0.973 51.5-125.7-172.9 161.6 2.6 100.1 5.6 207 233 A V E -Gh 345 328B 0 120,-2.8 122,-3.7 -2,-0.3 2,-0.5 -0.970 18.9-163.5-120.6 131.5 3.7 103.7 6.3 208 234 A I E -Gh 344 329B 8 136,-3.2 136,-1.2 -2,-0.4 2,-0.6 -0.954 3.4-168.4-122.2 116.7 1.8 106.2 8.4 209 235 A L E -Gh 343 330B 0 120,-3.2 122,-2.3 -2,-0.5 2,-0.4 -0.903 18.9-165.9-103.7 112.9 2.4 109.9 8.3 210 236 A T E +Gh 342 331B 11 132,-2.8 132,-1.6 -2,-0.6 2,-0.3 -0.843 20.5 172.0-112.5 139.8 0.7 111.7 11.1 211 237 A F E +Gh 341 332B 6 120,-2.4 122,-2.2 -2,-0.4 2,-0.3 -0.935 15.4 163.5-141.6 117.9 -0.2 115.3 11.9 212 238 A K E -Gh 340 333B 12 128,-2.9 128,-0.9 -2,-0.3 122,-0.2 -0.984 19.9-166.8-138.5 149.2 -2.4 116.3 14.8 213 239 A E E - 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