==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, HYDROLASE 16-OCT-01 1K6M . COMPND 2 MOLECULE: 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BIPHOSPHATA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.H.LEE,Y.LI,K.UYEDA,C.A.HASEMANN . 864 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 624 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 67 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 293 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.0 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 2 2 2 2 2 2 2 0 4 0 4 1 1 4 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 2 6 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 . 4 0 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 39 A N 0 0 211 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -84.2 7.0 57.5 25.4 2 40 A S - 0 0 48 1,-0.1 112,-0.1 111,-0.0 111,-0.1 -0.770 360.0-102.1 -91.5 143.2 5.5 54.6 23.4 3 41 A P - 0 0 29 0, 0.0 111,-2.4 0, 0.0 2,-0.4 0.149 34.3-132.1 -53.1 172.2 1.7 54.1 23.8 4 42 A T E -ab 88 114A 5 83,-2.0 85,-2.7 109,-0.2 2,-0.5 -0.979 8.5-151.9-137.0 147.6 0.1 51.5 25.9 5 43 A M E -ab 89 115A 0 109,-2.4 111,-2.2 -2,-0.4 2,-0.6 -0.974 11.9-157.9-115.5 126.8 -2.6 48.9 25.6 6 44 A V E -ab 90 116A 2 83,-2.4 85,-3.2 -2,-0.5 2,-0.7 -0.932 14.0-151.8-106.6 122.0 -4.5 48.0 28.8 7 45 A I E -ab 91 117A 0 109,-3.5 111,-3.2 -2,-0.6 2,-0.2 -0.866 2.7-147.8-106.6 117.2 -6.0 44.6 28.4 8 46 A M E - b 0 118A 0 83,-2.5 2,-0.4 -2,-0.7 85,-0.3 -0.558 20.0-173.3 -75.1 138.4 -9.1 43.6 30.3 9 47 A V E + b 0 119A 0 109,-2.5 111,-2.0 -2,-0.2 2,-0.2 -0.986 26.5 82.3-139.1 128.1 -9.3 39.9 31.2 10 48 A G - 0 0 0 84,-2.7 86,-0.1 -2,-0.4 111,-0.1 -0.781 68.4 -67.6 155.4 158.9 -12.1 38.0 32.7 11 49 A L > - 0 0 8 109,-0.4 3,-0.5 -2,-0.2 5,-0.2 -0.176 69.1 -79.4 -64.6 162.2 -15.4 36.1 32.6 12 50 A P T 3 S+ 0 0 11 0, 0.0 -1,-0.1 0, 0.0 146,-0.0 -0.409 115.9 28.7 -65.8 142.6 -18.6 38.1 31.7 13 51 A A T 3 S+ 0 0 7 -3,-0.1 118,-0.2 -2,-0.1 119,-0.1 0.863 82.4 116.8 73.0 40.7 -20.1 40.1 34.6 14 52 A R S < S- 0 0 22 -3,-0.5 170,-0.1 -4,-0.1 -3,-0.1 0.294 91.0-102.3-113.5 0.9 -16.8 40.6 36.3 15 53 A G S > S+ 0 0 24 3,-0.1 4,-2.3 -5,-0.1 5,-0.2 0.781 74.5 141.2 84.5 29.2 -16.9 44.4 35.9 16 54 A K H > S+ 0 0 17 -5,-0.2 4,-2.8 2,-0.2 5,-0.1 0.952 75.0 43.9 -69.1 -47.9 -14.5 44.7 33.1 17 55 A T H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.863 112.7 54.1 -66.3 -32.2 -16.5 47.4 31.3 18 56 A Y H > S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.942 113.1 42.1 -64.9 -46.3 -17.0 49.2 34.6 19 57 A I H X S+ 0 0 16 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.874 112.3 55.3 -67.1 -37.9 -13.3 49.2 35.3 20 58 A S H X S+ 0 0 1 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.949 111.1 45.1 -57.6 -50.3 -12.6 50.1 31.6 21 59 A T H X S+ 0 0 42 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.962 114.5 45.8 -58.0 -58.2 -14.8 53.2 31.9 22 60 A K H X S+ 0 0 34 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.913 115.3 46.0 -55.9 -46.6 -13.6 54.5 35.2 23 61 A L H X S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.928 109.6 54.3 -65.2 -44.4 -9.9 54.1 34.4 24 62 A T H X S+ 0 0 14 -4,-2.3 4,-2.5 -5,-0.3 10,-0.3 0.942 113.1 43.3 -56.6 -49.9 -10.3 55.7 31.0 25 63 A R H X S+ 0 0 42 -4,-2.8 4,-3.3 2,-0.2 -1,-0.2 0.954 112.2 52.1 -61.4 -50.4 -11.9 58.7 32.6 26 64 A Y H X S+ 0 0 5 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.954 113.0 44.7 -46.3 -59.4 -9.4 58.9 35.4 27 65 A L H <>S+ 0 0 1 -4,-2.9 5,-3.1 1,-0.2 -1,-0.2 0.862 113.0 50.0 -54.1 -45.7 -6.5 58.8 33.0 28 66 A N H ><5S+ 0 0 66 -4,-2.5 3,-2.3 -5,-0.3 -1,-0.2 0.960 107.9 55.4 -59.7 -47.2 -8.0 61.3 30.7 29 67 A F H 3<5S+ 0 0 34 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.881 107.4 49.0 -54.2 -40.9 -8.6 63.5 33.6 30 68 A I T 3<5S- 0 0 38 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.222 131.3 -88.0 -88.2 18.9 -5.0 63.5 34.6 31 69 A G T < 5S+ 0 0 57 -3,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.669 89.5 122.4 91.7 15.2 -3.7 64.2 31.2 32 70 A T < - 0 0 30 -5,-3.1 2,-0.4 -6,-0.2 -1,-0.1 -0.870 59.8-133.7-115.4 100.9 -3.4 60.8 29.6 33 71 A P + 0 0 45 0, 0.0 54,-2.8 0, 0.0 55,-2.0 -0.277 39.0 170.7 -53.1 104.0 -5.5 60.5 26.3 34 72 A T E -c 88 0A 6 -2,-0.4 2,-0.3 -10,-0.3 55,-0.2 -0.916 15.8-174.5-123.6 144.8 -7.2 57.2 26.8 35 73 A K E -c 89 0A 101 53,-1.8 55,-2.7 -2,-0.4 2,-0.4 -0.991 19.1-129.9-138.7 146.5 -10.0 55.5 24.8 36 74 A V E -c 90 0A 38 -2,-0.3 2,-0.5 53,-0.2 55,-0.2 -0.773 9.0-161.9-100.6 143.6 -11.9 52.3 25.3 37 75 A F E -c 91 0A 6 53,-2.5 55,-2.5 -2,-0.4 2,-0.6 -0.939 12.7-168.2-124.2 100.2 -12.5 49.6 22.7 38 76 A N E > -c 92 0A 20 -2,-0.5 4,-1.4 1,-0.2 3,-0.2 -0.837 11.9-162.2 -95.0 119.5 -15.4 47.5 23.7 39 77 A L H > S+ 0 0 19 53,-2.5 4,-3.0 -2,-0.6 5,-0.2 0.905 89.5 64.0 -69.1 -41.0 -15.7 44.3 21.7 40 78 A G H > S+ 0 0 17 52,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.884 102.4 54.6 -48.1 -37.3 -19.3 43.7 22.8 41 79 A Q H >> S+ 0 0 116 2,-0.2 4,-1.2 -3,-0.2 3,-0.5 0.992 107.5 46.4 -59.7 -61.6 -19.9 47.0 20.9 42 80 A Y H >< S+ 0 0 48 -4,-1.4 3,-1.4 1,-0.2 -2,-0.2 0.911 107.8 58.9 -46.7 -50.0 -18.4 45.8 17.7 43 81 A R H >< S+ 0 0 27 -4,-3.0 3,-2.4 1,-0.3 4,-0.3 0.902 102.8 50.6 -48.1 -50.1 -20.3 42.5 18.0 44 82 A R H << S+ 0 0 77 -4,-1.9 -1,-0.3 -3,-0.5 -2,-0.2 0.736 102.5 60.4 -65.2 -19.6 -23.6 44.2 18.0 45 83 A E T << S+ 0 0 169 -3,-1.4 -1,-0.3 -4,-1.2 -2,-0.2 0.388 115.8 39.7 -83.5 3.8 -22.6 46.2 14.9 46 84 A A S < S- 0 0 53 -3,-2.4 -2,-0.2 -5,-0.2 -3,-0.1 0.437 123.2 -5.2-113.9-111.4 -22.3 42.7 13.4 47 85 A V S S- 0 0 76 -4,-0.3 2,-0.1 1,-0.1 15,-0.0 0.616 80.9-138.9 -63.0-131.9 -24.6 39.8 14.0 48 86 A S - 0 0 67 -3,-0.1 -1,-0.1 1,-0.0 -2,-0.1 -0.306 23.4 -29.7-154.4-122.1 -27.4 40.4 16.5 49 87 A Y S S+ 0 0 108 -2,-0.1 -2,-0.0 -5,-0.0 -5,-0.0 0.976 76.4 71.8 -90.7 -68.8 -29.7 39.4 19.4 50 88 A K S S+ 0 0 164 2,-0.0 2,-0.2 3,-0.0 -1,-0.0 0.720 75.8 33.7 -28.0 -83.0 -31.0 35.9 20.4 51 89 A N > - 0 0 57 1,-0.1 3,-0.8 106,-0.0 4,-0.1 -0.495 46.3-140.3-106.4 167.6 -28.8 33.2 21.9 52 90 A Y G > S+ 0 0 43 1,-0.2 3,-1.2 -2,-0.2 -1,-0.1 0.460 99.6 84.1 -81.9 -9.4 -25.9 32.3 24.2 53 91 A E G > S+ 0 0 87 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.775 73.7 68.3 -65.7 -26.9 -25.3 29.8 21.3 54 92 A F G < S+ 0 0 31 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.800 103.9 46.3 -62.1 -23.3 -23.5 32.5 19.5 55 93 A F G < S+ 0 0 12 -3,-1.2 -1,-0.3 -4,-0.1 -2,-0.2 0.404 85.1 123.1 -99.0 2.3 -21.0 32.0 22.3 56 94 A L X - 0 0 40 -3,-1.6 3,-1.4 1,-0.1 7,-0.2 -0.415 66.3-131.0 -65.1 134.2 -21.1 28.2 22.0 57 95 A P T 3 S+ 0 0 63 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.817 107.9 56.3 -55.5 -34.5 -17.5 26.7 21.4 58 96 A D T 3 S+ 0 0 110 1,-0.2 2,-2.4 2,-0.1 3,-0.2 0.721 81.7 99.6 -71.2 -20.9 -18.8 24.6 18.5 59 97 A N <> + 0 0 35 -3,-1.4 4,-2.2 -6,-0.2 -1,-0.2 -0.410 40.5 162.4 -71.0 73.8 -20.1 27.8 16.9 60 98 A M H > S+ 0 0 147 -2,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.827 74.0 58.8 -61.5 -34.9 -17.3 28.3 14.4 61 99 A E H >> S+ 0 0 151 -3,-0.2 4,-1.2 1,-0.2 3,-0.5 0.942 108.4 45.1 -59.8 -45.9 -19.4 30.6 12.4 62 100 A A H 3> S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.893 106.5 60.5 -63.0 -43.5 -19.8 32.8 15.5 63 101 A L H 3X S+ 0 0 76 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.770 100.5 54.5 -56.9 -31.2 -16.1 32.6 16.3 64 102 A Q H X S+ 0 0 41 -4,-1.2 4,-2.8 1,-0.2 3,-0.8 0.978 114.1 45.5 -48.5 -64.6 -17.4 37.2 13.6 66 104 A R H 3X S+ 0 0 50 -4,-2.3 4,-2.0 1,-0.3 -1,-0.2 0.794 113.5 51.4 -49.3 -34.1 -15.8 37.6 17.0 67 105 A K H 3X S+ 0 0 97 -4,-1.6 4,-1.4 -5,-0.2 -1,-0.3 0.854 111.7 45.1 -73.1 -36.9 -12.4 37.1 15.4 68 106 A Q H X S+ 0 0 36 -4,-2.3 4,-2.1 2,-0.2 3,-0.7 0.995 110.8 48.2 -58.9 -58.3 -11.5 45.5 13.5 73 111 A A H 3X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.3 -2,-0.2 0.847 110.4 51.3 -47.3 -42.9 -11.0 46.8 17.1 74 112 A L H 3X S+ 0 0 7 -4,-1.8 4,-2.6 2,-0.2 -1,-0.3 0.865 104.5 56.9 -67.2 -34.9 -7.3 46.3 16.8 75 113 A K H S+ 0 0 52 -4,-2.4 5,-2.8 3,-0.2 4,-1.2 0.784 112.9 56.1 -69.0 -20.0 -4.8 54.2 14.2 80 118 A Y H <5S+ 0 0 23 -4,-2.2 6,-2.9 -5,-0.3 -1,-0.2 0.928 120.6 27.7 -72.7 -45.0 -5.9 55.7 17.6 81 119 A L H <5S+ 0 0 11 -4,-2.2 -2,-0.2 4,-0.2 -3,-0.2 0.725 131.6 38.4 -89.2 -23.1 -2.4 55.3 19.1 82 120 A S H <5S+ 0 0 50 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.2 0.742 133.7 13.1-101.0 -28.6 -0.4 55.6 15.9 83 121 A H T <5S+ 0 0 135 -4,-1.2 -3,-0.2 -5,-0.5 -4,-0.1 0.739 127.1 47.9-117.4 -35.0 -2.2 58.2 13.9 84 122 A E S S- 0 0 31 68,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.850 74.0-136.0-109.1 141.5 -7.4 32.5 26.3 98 136 A R H > S+ 0 0 63 -2,-0.4 4,-2.0 1,-0.2 5,-0.1 0.857 109.7 60.0 -56.0 -35.1 -3.6 32.6 26.2 99 137 A E H > S+ 0 0 145 1,-0.2 4,-2.0 2,-0.2 3,-0.4 0.965 103.1 46.2 -56.3 -60.7 -4.1 32.4 22.5 100 138 A R H > S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.898 111.6 51.8 -51.7 -48.5 -6.1 35.6 22.2 101 139 A R H X S+ 0 0 3 -4,-2.1 4,-3.8 1,-0.2 5,-0.3 0.861 106.7 54.2 -57.9 -37.7 -3.6 37.5 24.4 102 140 A S H X S+ 0 0 6 -4,-2.0 4,-2.6 -3,-0.4 -1,-0.2 0.910 103.4 55.5 -62.5 -42.7 -0.8 36.3 22.2 103 141 A L H X S+ 0 0 49 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.928 114.4 42.4 -51.4 -47.7 -2.6 37.8 19.2 104 142 A I H X S+ 0 0 1 -4,-1.8 4,-3.5 2,-0.2 -2,-0.2 0.938 111.5 50.2 -65.8 -53.8 -2.6 41.0 21.2 105 143 A L H X S+ 0 0 36 -4,-3.8 4,-3.1 1,-0.2 -1,-0.2 0.844 112.9 52.9 -55.8 -30.4 0.9 40.9 22.5 106 144 A Q H X S+ 0 0 40 -4,-2.6 4,-3.3 -5,-0.3 -2,-0.2 0.981 109.0 44.1 -66.7 -61.1 1.8 40.2 18.9 107 145 A F H X S+ 0 0 17 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.930 115.7 51.7 -50.1 -48.2 -0.0 43.2 17.5 108 146 A A H X>S+ 0 0 3 -4,-3.5 5,-1.7 1,-0.2 4,-1.4 0.963 108.9 48.6 -55.3 -55.2 1.5 45.2 20.3 109 147 A K H ><5S+ 0 0 128 -4,-3.1 3,-0.6 1,-0.2 -2,-0.2 0.909 110.5 52.5 -51.5 -47.4 5.0 43.9 19.5 110 148 A E H 3<5S+ 0 0 114 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.931 118.4 34.7 -55.1 -50.0 4.5 44.8 15.9 111 149 A H H 3<5S- 0 0 70 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.461 110.8-115.5 -88.6 0.5 3.4 48.4 16.6 112 150 A G T <<5 + 0 0 42 -4,-1.4 2,-0.4 -3,-0.6 -3,-0.2 0.900 60.3 150.2 69.1 41.9 5.7 48.9 19.6 113 151 A Y < - 0 0 12 -5,-1.7 -1,-0.2 -6,-0.1 -109,-0.2 -0.881 44.0-127.0-107.2 138.3 3.0 49.4 22.2 114 152 A K E -b 4 0A 53 -111,-2.4 -109,-2.4 -2,-0.4 2,-0.4 -0.398 26.9-141.8 -76.3 159.8 3.5 48.4 25.8 115 153 A V E +b 5 0A 13 -111,-0.2 62,-0.5 -2,-0.1 2,-0.4 -0.994 22.3 175.0-136.8 136.5 1.0 46.1 27.4 116 154 A F E -b 6 0A 1 -111,-2.2 -109,-3.5 -2,-0.4 2,-0.4 -0.998 17.9-146.7-135.9 134.8 -0.6 45.8 30.8 117 155 A F E -bd 7 178A 1 60,-1.8 62,-2.1 -2,-0.4 2,-0.5 -0.828 8.0-163.7-109.3 145.1 -3.4 43.4 31.8 118 156 A I E -bd 8 179A 1 -111,-3.2 -109,-2.5 -2,-0.4 2,-0.6 -0.972 12.0-170.5-125.3 113.1 -6.2 43.8 34.3 119 157 A E E -bd 9 180A 0 60,-2.5 62,-3.2 -2,-0.5 2,-0.8 -0.922 7.9-158.9-110.5 117.5 -7.8 40.5 35.3 120 158 A S E - d 0 181A 9 -111,-2.0 2,-0.5 -2,-0.6 -109,-0.4 -0.836 14.4-176.1 -96.1 111.4 -11.0 40.7 37.3 121 159 A I E + d 0 182A 26 60,-3.1 62,-2.1 -2,-0.8 2,-0.3 -0.941 11.6 158.0-113.7 122.3 -11.5 37.4 39.1 122 160 A C + 0 0 7 -2,-0.5 2,-0.1 60,-0.2 60,-0.1 -0.921 16.7 175.5-147.7 120.1 -14.6 36.8 41.2 123 161 A N + 0 0 123 -2,-0.3 3,-0.1 4,-0.0 -2,-0.0 -0.425 44.5 114.8-119.0 55.5 -16.2 33.5 42.2 124 162 A D > - 0 0 70 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.967 52.5-155.5-125.3 111.5 -19.1 34.6 44.4 125 163 A P H > S+ 0 0 107 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.848 96.6 56.9 -54.1 -34.0 -22.4 33.6 42.9 126 164 A G H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.992 106.4 45.4 -60.7 -60.2 -23.9 36.4 44.9 127 165 A I H > S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.913 116.5 46.2 -51.3 -47.6 -21.6 39.1 43.5 128 166 A I H X S+ 0 0 11 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.889 108.4 55.9 -66.4 -36.8 -22.2 37.8 39.9 129 167 A A H X S+ 0 0 26 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.961 109.2 46.2 -57.3 -54.4 -25.9 37.6 40.4 130 168 A E H X S+ 0 0 99 -4,-2.4 4,-4.1 1,-0.2 5,-0.2 0.923 108.6 57.2 -54.5 -45.6 -26.2 41.2 41.4 131 169 A N H X>S+ 0 0 32 -4,-2.3 4,-3.3 -5,-0.3 5,-0.8 0.895 109.8 43.8 -53.8 -45.4 -23.9 42.2 38.5 132 170 A I H X>S+ 0 0 1 -4,-2.3 5,-2.1 3,-0.2 4,-1.2 0.930 117.0 46.5 -65.6 -44.7 -26.3 40.6 36.0 133 171 A R H X5S+ 0 0 159 -4,-2.7 4,-0.6 -5,-0.2 5,-0.3 0.994 117.8 43.9 -54.9 -64.5 -29.3 42.1 37.8 134 172 A Q H <5S+ 0 0 111 -4,-4.1 -2,-0.2 1,-0.2 -3,-0.2 0.880 136.2 3.5 -47.9 -56.6 -27.6 45.5 37.9 135 173 A V H <5S+ 0 0 29 -4,-3.3 -3,-0.2 -5,-0.2 -1,-0.2 0.703 123.2 54.8-113.0 -22.0 -26.2 45.7 34.4 136 174 A K H >< S+ 0 0 74 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.913 116.2 60.9 -53.0 -45.2 -28.9 46.2 24.5 141 179 A D T 3 S+ 0 0 12 1,-0.3 2,-1.7 2,-0.1 -5,-0.0 0.925 102.8 50.2 -44.7 -56.7 -28.6 42.5 23.7 142 180 A Y T 3 S- 0 0 15 -6,-0.3 -1,-0.3 -3,-0.1 3,-0.2 -0.467 83.8-160.2 -87.0 63.1 -31.4 41.7 26.1 143 181 A I < - 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n 0 551E 1 83,-2.4 2,-0.4 -2,-0.7 85,-0.3 -0.541 19.8-173.6 -74.7 138.0 15.5 24.7 6.7 442 47 B V E + n 0 552E 0 109,-2.5 111,-2.0 -2,-0.2 2,-0.2 -0.990 26.1 84.1-138.8 129.8 14.6 28.4 6.9 443 48 B G - 0 0 0 84,-2.5 86,-0.2 -2,-0.4 111,-0.1 -0.770 68.1 -69.3 155.7 159.2 13.3 30.3 9.8 444 49 B L > - 0 0 8 109,-0.4 3,-0.5 -2,-0.2 5,-0.2 -0.187 69.5 -78.6 -64.8 161.6 13.8 32.3 13.0 445 50 B P T 3 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 146,-0.0 -0.393 115.8 28.0 -65.0 142.1 15.1 30.4 16.1 446 51 B A T 3 S+ 0 0 6 -3,-0.1 118,-0.2 118,-0.1 119,-0.1 0.863 82.4 117.4 73.3 40.2 12.5 28.3 18.1 447 52 B R S < S- 0 0 21 -3,-0.5 170,-0.1 -4,-0.1 -3,-0.1 0.266 91.1-102.0-112.9 0.8 10.3 27.7 15.0 448 53 B G S > S+ 0 0 24 3,-0.1 4,-2.3 -5,-0.1 5,-0.2 0.777 74.4 141.7 84.9 28.9 10.9 23.9 15.1 449 54 B K H > S+ 0 0 19 -5,-0.2 4,-2.7 1,-0.2 5,-0.1 0.943 75.0 43.4 -68.1 -48.0 13.4 23.6 12.4 450 55 B T H > S+ 0 0 40 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.840 112.8 54.3 -67.0 -31.5 15.5 21.0 14.1 451 56 B Y H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.947 112.6 42.5 -64.6 -47.6 12.3 19.1 15.1 452 57 B I H X S+ 0 0 16 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.882 112.3 55.5 -65.5 -39.3 11.2 19.0 11.5 453 58 B S H X S+ 0 0 1 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.951 110.7 45.4 -55.6 -51.5 14.8 18.2 10.4 454 59 B T H X S+ 0 0 40 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.949 114.6 44.9 -58.2 -58.4 14.8 15.2 12.7 455 60 B K H X S+ 0 0 36 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.893 115.4 46.7 -58.4 -44.0 11.4 13.8 11.9 456 61 B L H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.924 109.7 54.2 -65.9 -43.4 11.7 14.1 8.2 457 62 B T H X S+ 0 0 13 -4,-2.4 4,-2.6 -5,-0.3 10,-0.3 0.953 113.0 43.0 -57.1 -50.5 15.2 12.6 8.2 458 63 B R H X S+ 0 0 40 -4,-2.5 4,-3.6 2,-0.2 5,-0.2 0.953 112.6 52.2 -60.9 -50.4 13.9 9.6 10.0 459 64 B Y H X S+ 0 0 5 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.964 113.1 44.7 -46.4 -59.1 10.8 9.3 7.9 460 65 B L H <>S+ 0 0 1 -4,-2.9 5,-3.0 1,-0.2 -1,-0.2 0.894 113.5 49.5 -54.2 -46.5 12.8 9.4 4.7 461 66 B N H ><5S+ 0 0 66 -4,-2.6 3,-2.2 -5,-0.3 -1,-0.2 0.955 108.4 54.9 -59.7 -46.3 15.4 7.0 5.9 462 67 B F H 3<5S+ 0 0 29 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.875 107.3 49.5 -55.9 -39.8 12.6 4.7 7.0 463 68 B I T 3<5S- 0 0 39 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.237 130.9 -88.9 -87.7 18.2 11.2 4.7 3.5 464 69 B G T < 5S+ 0 0 56 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.668 89.2 122.5 91.0 16.0 14.5 3.9 1.8 465 70 B T < - 0 0 31 -5,-3.0 2,-0.5 -6,-0.2 -1,-0.2 -0.896 60.2-133.6-115.0 102.3 16.0 7.4 1.2 466 71 B P + 0 0 48 0, 0.0 54,-2.8 0, 0.0 55,-2.0 -0.326 39.0 171.0 -54.4 104.0 19.4 7.8 2.9 467 72 B T E -o 521 0E 6 -2,-0.5 2,-0.3 -10,-0.3 55,-0.2 -0.913 15.8-174.2-122.8 146.1 19.1 11.1 4.6 468 73 B K E -o 522 0E 102 53,-1.9 55,-2.7 -2,-0.4 2,-0.4 -0.991 18.9-129.7-138.9 147.0 21.3 12.9 7.1 469 74 B V E -o 523 0E 37 -2,-0.3 2,-0.6 53,-0.2 55,-0.2 -0.779 9.0-162.0-100.2 141.5 21.0 16.1 9.0 470 75 B F E -o 524 0E 4 53,-2.6 55,-2.5 -2,-0.4 2,-0.6 -0.930 12.5-168.5-123.1 100.2 23.6 18.9 9.2 471 76 B N E > -o 525 0E 19 -2,-0.6 4,-1.4 1,-0.2 3,-0.3 -0.828 12.1-162.4 -94.6 118.5 22.8 21.1 12.2 472 77 B L H > S+ 0 0 19 53,-2.5 4,-2.9 -2,-0.6 5,-0.2 0.906 89.7 64.1 -67.8 -40.9 24.8 24.3 12.2 473 78 B G H > S+ 0 0 14 52,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.865 102.3 54.1 -48.6 -36.6 24.1 24.9 15.9 474 79 B Q H >> S+ 0 0 116 -3,-0.3 4,-1.2 2,-0.2 3,-0.6 0.991 107.7 47.1 -60.3 -61.3 26.1 21.7 16.3 475 80 B Y H >< S+ 0 0 47 -4,-1.4 3,-1.3 1,-0.3 -2,-0.2 0.908 107.7 58.2 -46.1 -50.6 29.1 23.0 14.3 476 81 B R H >X S+ 0 0 21 -4,-2.9 3,-2.2 1,-0.3 4,-1.5 0.890 103.0 51.0 -48.2 -49.5 29.0 26.3 16.2 477 82 B R H << S+ 0 0 84 -4,-1.7 -1,-0.3 -3,-0.6 -2,-0.2 0.741 102.5 60.3 -66.0 -19.8 29.5 24.6 19.6 478 83 B E T << S+ 0 0 170 -3,-1.3 -1,-0.3 -4,-1.2 -2,-0.2 0.378 114.2 40.4 -83.6 4.1 32.5 22.7 18.2 479 84 B A T <4 S+ 0 0 59 -3,-2.2 -2,-0.2 1,-0.4 -3,-0.1 0.592 123.5 6.3-113.0 -81.8 33.8 26.2 17.6 480 85 B V < - 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