==== 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 TRANSFERASE 26-FEB-04 1VBH . COMPND 2 MOLECULE: PYRUVATE,ORTHOPHOSPHATE DIKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR T.NAKANISHI,T.NAKATSU,M.MATSUOKA,K.SAKATA,H.KATO,RIKEN STRUC . 862 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37350.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 629 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 43 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 324 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.2 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 4 1 4 0 0 6 2 2 4 1 0 3 1 0 2 2 0 1 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 4 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 . 2 5 0 5 1 2 0 1 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 . 1 1 0 1 1 1 0 1 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 3 A K 0 0 117 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 109.0 13.4 7.1 48.9 2 4 A K + 0 0 143 2,-0.1 3,-0.1 44,-0.0 0, 0.0 0.511 360.0 11.8-109.4 -8.2 10.3 7.3 46.7 3 5 A R S S+ 0 0 19 1,-0.3 43,-2.6 45,-0.1 2,-0.4 0.489 124.7 50.2-140.5 -19.5 8.9 10.7 47.8 4 6 A V E -A 45 0A 7 41,-0.2 2,-0.5 39,-0.0 -1,-0.3 -0.965 60.6-173.8-132.4 117.1 11.6 12.4 49.9 5 7 A F E -A 44 0A 17 39,-2.1 39,-2.3 -2,-0.4 2,-0.1 -0.932 8.9-155.9-114.1 118.2 15.2 12.6 48.6 6 8 A H E -A 43 0A 25 -2,-0.5 7,-1.2 37,-0.3 8,-0.4 -0.348 12.5-170.3 -84.6 168.4 18.0 14.0 50.8 7 9 A F E +AB 42 12A 4 35,-3.0 35,-2.1 5,-0.2 2,-0.3 -0.987 14.9 148.1-160.3 150.7 21.2 15.6 49.5 8 10 A G E > - B 0 11A 0 3,-3.7 3,-3.3 -2,-0.3 28,-0.2 -0.944 61.2 -32.5-165.1 179.2 24.6 16.8 50.7 9 11 A K T 3 S- 0 0 64 30,-0.5 29,-0.1 1,-0.3 24,-0.1 -0.243 132.9 -11.5 -48.4 111.6 28.2 17.2 49.6 10 12 A G T 3 S+ 0 0 48 23,-1.4 2,-0.4 27,-0.3 -1,-0.3 0.683 122.6 96.5 67.6 20.0 28.7 14.3 47.3 11 13 A K E < +B 8 0A 115 -3,-3.3 -3,-3.7 22,-0.1 2,-0.2 -0.989 35.0 133.0-145.4 132.8 25.4 12.6 48.4 12 14 A S E -B 7 0A 32 -2,-0.4 -5,-0.2 -5,-0.3 31,-0.1 -0.752 39.3-149.6-178.0 128.7 21.9 12.6 46.9 13 15 A E S S+ 0 0 44 -7,-1.2 -6,-0.1 -2,-0.2 -1,-0.1 0.847 87.4 59.8 -71.5 -34.7 19.3 10.0 46.1 14 16 A G S S- 0 0 5 -8,-0.4 2,-0.3 12,-0.1 20,-0.0 -0.250 73.8-150.5 -85.4 179.6 18.0 12.0 43.1 15 17 A N > - 0 0 61 -2,-0.1 3,-2.2 18,-0.0 16,-0.2 -0.955 35.0 -87.8-147.6 165.6 19.9 13.1 40.0 16 18 A K T 3 S+ 0 0 124 -2,-0.3 3,-0.1 1,-0.3 11,-0.1 0.558 118.3 61.9 -50.7 -13.1 20.0 15.8 37.4 17 19 A T T 3 S+ 0 0 101 1,-0.2 2,-1.7 10,-0.1 3,-0.4 0.680 77.9 87.8 -91.0 -18.2 17.5 14.0 35.2 18 20 A M <> + 0 0 37 -3,-2.2 4,-2.0 1,-0.2 5,-0.2 -0.327 39.2 135.5 -82.0 58.7 14.5 14.0 37.6 19 21 A K T 4 S+ 0 0 41 -2,-1.7 4,-0.4 3,-0.2 -1,-0.2 0.747 73.0 55.1 -74.0 -23.7 13.0 17.4 36.7 20 22 A E T 4 S+ 0 0 54 -3,-0.4 27,-0.2 2,-0.1 -1,-0.2 0.959 120.0 25.8 -73.3 -53.6 9.6 15.7 36.8 21 23 A L T 4 S+ 0 0 44 1,-0.2 26,-1.8 25,-0.1 27,-0.2 0.911 132.8 34.8 -77.6 -48.1 9.7 14.3 40.3 22 24 A L S X S- 0 0 2 -4,-2.0 4,-1.1 24,-0.2 -3,-0.2 0.465 105.9-128.8 -88.7 -2.5 12.2 16.7 42.0 23 25 A G H > - 0 0 0 -4,-0.4 4,-2.6 -5,-0.2 76,-0.3 0.081 38.9 -68.7 71.6 164.7 11.1 19.8 40.1 24 26 A G H > S+ 0 0 34 74,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.913 137.2 43.4 -56.6 -45.3 13.6 22.0 38.3 25 27 A K H > S+ 0 0 90 73,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.871 113.1 51.4 -70.0 -38.6 15.1 23.2 41.5 26 28 A G H X S+ 0 0 1 -4,-1.1 4,-2.5 1,-0.2 -3,-0.2 0.945 109.1 49.9 -63.9 -48.3 15.2 19.8 43.2 27 29 A A H X S+ 0 0 7 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.861 112.2 49.0 -58.4 -37.9 16.9 18.2 40.2 28 30 A N H X S+ 0 0 61 -4,-1.5 4,-3.0 -5,-0.2 -1,-0.2 0.904 109.3 50.6 -69.6 -42.8 19.6 21.0 40.2 29 31 A L H X S+ 0 0 22 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.918 112.0 49.1 -59.8 -42.7 20.2 20.7 43.9 30 32 A A H X S+ 0 0 5 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.901 112.3 47.6 -62.9 -42.1 20.7 17.0 43.5 31 33 A E H X S+ 0 0 35 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.929 109.9 51.9 -65.5 -46.0 23.0 17.5 40.6 32 34 A M H <>S+ 0 0 11 -4,-3.0 5,-1.7 1,-0.2 3,-0.2 0.872 116.3 41.8 -57.3 -38.2 25.1 20.1 42.4 33 35 A A H ><5S+ 0 0 0 -4,-1.9 3,-2.0 -5,-0.2 -23,-1.4 0.883 106.0 62.6 -75.5 -42.2 25.4 17.7 45.3 34 36 A S H 3<5S+ 0 0 75 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.674 104.2 49.7 -59.1 -19.1 26.0 14.7 43.0 35 37 A I T 3<5S- 0 0 42 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.300 124.6 -96.4-106.3 8.8 29.3 16.4 41.8 36 38 A G T < 5 + 0 0 19 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.771 64.3 159.6 86.2 29.2 30.7 17.2 45.2 37 39 A L < - 0 0 0 -5,-1.7 2,-2.6 -29,-0.1 -27,-0.3 -0.664 50.6-114.2 -85.0 140.4 29.6 20.8 45.7 38 40 A S + 0 0 1 -2,-0.3 288,-4.0 259,-0.2 -1,-0.1 -0.396 57.0 157.6 -73.0 68.5 29.6 22.1 49.3 39 41 A V - 0 0 3 -2,-2.6 -30,-0.5 286,-0.2 288,-0.1 -0.825 50.3-104.3-100.4 132.4 25.9 22.6 49.5 40 42 A P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 204,-0.1 -0.241 50.3-101.2 -52.1 135.2 24.1 22.7 52.9 41 43 A P + 0 0 0 0, 0.0 201,-1.8 0, 0.0 2,-0.3 -0.164 59.9 129.8 -61.2 152.4 22.3 19.3 53.3 42 44 A G E -AC 7 241A 1 -35,-2.1 -35,-3.0 199,-0.2 2,-0.3 -0.955 39.9-114.6-176.8-170.0 18.5 18.9 52.8 43 45 A F E -AC 6 240A 1 197,-1.4 197,-3.3 -37,-0.3 2,-0.4 -0.972 13.4-133.1-148.4 161.7 15.8 16.9 51.0 44 46 A T E -AC 5 239A 3 -39,-2.3 -39,-2.1 -2,-0.3 2,-0.7 -0.971 9.2-143.4-125.1 128.5 13.1 17.2 48.4 45 47 A V E -AC 4 238A 0 193,-2.7 193,-1.8 -2,-0.4 -41,-0.2 -0.787 34.3-121.9 -89.3 115.1 9.5 16.1 48.5 46 48 A S > - 0 0 0 -43,-2.6 4,-0.6 -2,-0.7 3,-0.2 0.049 14.8-114.6 -53.7 160.4 8.5 14.8 45.0 47 49 A T H > S+ 0 0 1 -26,-1.8 4,-1.5 1,-0.2 189,-0.1 0.678 114.9 67.0 -71.1 -17.9 5.7 16.3 42.9 48 50 A E H >> S+ 0 0 68 1,-0.2 4,-3.2 2,-0.2 3,-0.5 0.948 94.3 56.5 -65.2 -47.2 3.9 12.9 43.3 49 51 A A H 3> S+ 0 0 0 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.781 107.9 49.5 -53.2 -28.3 3.5 13.7 47.0 50 52 A C H 3X S+ 0 0 4 -4,-0.6 4,-2.0 2,-0.2 -1,-0.3 0.822 112.0 47.1 -80.8 -33.1 1.8 16.9 45.9 51 53 A Q H - 0 0 9 0, 0.0 4,-0.6 0, 0.0 3,-0.5 -0.084 31.0 -89.1 -59.6 158.7 -0.7 11.5 52.2 62 64 A A T 4 S+ 0 0 94 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 -0.559 106.2 7.0 -77.5 126.9 0.0 8.3 54.2 63 65 A G T > S+ 0 0 45 -2,-0.4 4,-2.0 -3,-0.1 3,-0.2 0.056 98.4 104.6 94.2 -25.3 3.6 7.6 55.0 64 66 A L H > S+ 0 0 0 -3,-0.5 4,-2.8 1,-0.2 5,-0.2 0.953 78.8 49.6 -52.8 -58.4 4.9 10.9 53.7 65 67 A W H X S+ 0 0 65 -4,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.828 107.9 57.4 -51.6 -33.7 5.4 12.5 57.1 66 68 A A H > S+ 0 0 57 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.973 110.1 42.0 -60.7 -54.3 7.3 9.4 58.1 67 69 A E H X S+ 0 0 43 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.874 110.7 56.9 -59.3 -42.9 9.8 9.8 55.2 68 70 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.923 107.2 49.6 -55.8 -44.4 10.0 13.6 55.8 69 71 A V H X S+ 0 0 39 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.890 108.1 52.8 -63.0 -40.3 11.1 12.7 59.4 70 72 A D H X S+ 0 0 118 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.966 109.8 50.6 -57.8 -51.6 13.7 10.3 58.1 71 73 A G H X S+ 0 0 5 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.910 111.1 45.4 -51.6 -53.0 15.0 13.1 55.9 72 74 A L H X S+ 0 0 6 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.914 112.4 51.4 -59.8 -44.0 15.3 15.6 58.6 73 75 A Q H X S+ 0 0 45 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.944 109.8 51.1 -58.2 -45.6 17.0 13.1 60.9 74 76 A W H X S+ 0 0 69 -4,-2.9 4,-1.5 -5,-0.2 -1,-0.2 0.904 113.1 45.0 -56.6 -45.1 19.4 12.4 58.1 75 77 A V H X S+ 0 0 3 -4,-2.3 4,-3.2 2,-0.2 -2,-0.2 0.906 113.4 49.2 -66.9 -43.6 20.1 16.1 57.8 76 78 A E H X>S+ 0 0 31 -4,-3.2 4,-2.3 2,-0.2 5,-1.5 0.942 112.6 46.7 -61.1 -50.5 20.5 16.7 61.5 77 79 A E H <5S+ 0 0 89 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.857 115.0 50.8 -59.8 -34.3 22.8 13.8 62.0 78 80 A Y H <5S+ 0 0 62 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.939 115.6 37.7 -70.0 -50.4 24.7 15.2 58.9 79 81 A M H <5S- 0 0 38 -4,-3.2 -2,-0.2 2,-0.2 -1,-0.2 0.658 104.0-120.2 -78.8 -18.9 25.0 18.8 60.1 80 82 A G T <5S+ 0 0 64 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.964 79.4 97.2 75.0 51.9 25.7 18.1 63.8 81 83 A A < - 0 0 14 -5,-1.5 2,-0.4 -6,-0.1 -1,-0.3 -0.965 60.4-136.0-163.8 158.4 22.6 20.1 64.9 82 84 A T B > -f 89 0B 66 6,-4.7 8,-0.9 -2,-0.3 3,-0.8 -0.952 26.1-104.7-131.4 149.2 19.0 19.4 66.0 83 85 A L T 3 S+ 0 0 21 -2,-0.4 119,-0.1 1,-0.3 8,-0.1 -0.563 105.7 8.1 -72.0 112.1 15.7 21.0 65.2 84 86 A G T 3 S+ 0 0 32 -2,-0.6 -1,-0.3 29,-0.4 30,-0.1 0.904 95.5 124.9 82.0 48.7 14.5 23.0 68.2 85 87 A D < - 0 0 36 -3,-0.8 -3,-0.3 1,-0.1 -1,-0.2 -0.927 47.6-157.9-140.9 113.0 17.7 22.8 70.3 86 88 A P S S+ 0 0 57 0, 0.0 38,-0.1 0, 0.0 -1,-0.1 0.827 94.2 48.0 -57.2 -37.7 19.5 26.0 71.6 87 89 A Q S S+ 0 0 170 1,-0.3 -2,-0.0 37,-0.0 31,-0.0 0.979 130.2 17.8 -69.1 -60.8 22.8 24.2 72.1 88 90 A R S S- 0 0 34 2,-0.0 -6,-4.7 -6,-0.0 -1,-0.3 -0.604 93.5-169.3-110.4 65.4 23.0 22.5 68.7 89 91 A P B -f 82 0B 45 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.275 12.4-163.9 -62.1 143.0 20.4 24.6 66.7 90 92 A L - 0 0 7 -8,-0.9 2,-0.4 23,-0.2 -6,-0.4 -0.948 6.8-176.4-133.6 108.7 19.1 23.6 63.3 91 93 A L - 0 0 19 -2,-0.4 152,-2.9 152,-0.2 2,-0.3 -0.844 11.6-157.8-104.9 140.5 17.2 26.2 61.2 92 94 A L E -DE 112 242A 4 20,-2.4 20,-3.8 -2,-0.4 2,-0.4 -0.766 12.8-143.6-120.3 165.2 15.7 25.4 57.8 93 95 A S E - E 0 241A 4 148,-2.4 148,-1.6 -2,-0.3 2,-0.5 -0.950 12.7-156.9-124.9 137.7 14.5 27.0 54.6 94 96 A V E +DE 109 240A 0 15,-2.3 15,-1.8 -2,-0.4 2,-0.3 -0.939 17.5 169.5-125.9 112.7 11.5 25.8 52.6 95 97 A R E - E 0 239A 79 144,-2.6 144,-2.5 -2,-0.5 12,-0.1 -0.871 20.8-143.1-119.4 153.2 11.2 26.6 48.9 96 98 A S + 0 0 14 10,-0.5 142,-0.2 -2,-0.3 2,-0.1 -0.224 23.1 165.2 -97.8-169.1 8.7 25.3 46.3 97 99 A G - 0 0 11 140,-0.4 140,-2.0 -2,-0.1 -71,-0.2 -0.213 17.6-156.0 151.4 117.1 9.5 24.5 42.6 98 100 A A - 0 0 9 2,-0.5 -74,-3.3 138,-0.2 -73,-0.5 -0.212 44.6 -92.1 -94.9-172.1 7.8 22.7 39.7 99 101 A A S S+ 0 0 47 136,-0.4 2,-0.3 -76,-0.3 -79,-0.1 0.759 113.1 24.7 -73.9 -24.2 9.3 21.1 36.6 100 102 A V S S- 0 0 73 -80,-0.1 -2,-0.5 1,-0.1 -76,-0.1 -0.788 108.8 -68.4-130.2 174.0 8.8 24.4 34.8 101 103 A S + 0 0 90 -2,-0.3 -2,-0.1 -4,-0.1 -1,-0.1 -0.365 55.0 173.9 -64.6 145.1 8.5 28.0 35.9 102 104 A M > - 0 0 19 -4,-0.1 3,-0.5 -3,-0.0 -4,-0.1 -0.820 17.1-153.8-160.2 113.5 5.3 28.7 37.8 103 105 A P T 3 S+ 0 0 35 0, 0.0 3,-0.1 0, 0.0 121,-0.1 -0.274 74.3 49.6 -80.1 172.7 4.2 31.9 39.5 104 106 A G T 3 S+ 0 0 17 1,-0.3 117,-0.3 116,-0.2 114,-0.2 0.506 78.4 134.5 76.9 3.0 1.8 32.1 42.5 105 107 A M < - 0 0 24 -3,-0.5 -1,-0.3 1,-0.1 107,-0.1 -0.501 69.7 -73.4 -84.8 156.4 3.6 29.4 44.4 106 108 A M - 0 0 13 106,-0.3 -10,-0.5 105,-0.2 -1,-0.1 -0.197 54.8-115.8 -50.7 128.5 4.4 29.7 48.1 107 109 A D - 0 0 117 1,-0.1 -1,-0.1 -12,-0.1 -13,-0.1 -0.268 41.0 -83.1 -66.1 152.8 7.2 32.2 48.8 108 110 A T - 0 0 63 1,-0.1 2,-0.5 -13,-0.1 -13,-0.2 -0.283 41.3-153.2 -59.0 136.4 10.5 31.1 50.3 109 111 A V E -D 94 0A 0 -15,-1.8 -15,-2.3 -3,-0.1 3,-0.3 -0.958 11.1-161.2-117.9 116.6 10.5 30.7 54.1 110 112 A L E + 0 0 78 -2,-0.5 -17,-0.2 -17,-0.2 32,-0.1 -0.608 61.3 16.7 -98.9 157.8 13.8 31.1 55.9 111 113 A N E S+ 0 0 20 -2,-0.2 3,-0.4 1,-0.2 -18,-0.2 0.818 73.4 176.1 55.6 42.6 14.9 30.1 59.4 112 114 A L E +D 92 0A 0 -20,-3.8 -20,-2.4 -3,-0.3 -1,-0.2 -0.438 58.3 50.6 -74.2 149.3 12.1 27.6 60.1 113 115 A G S S+ 0 0 0 1,-0.3 -29,-0.4 -22,-0.2 2,-0.3 0.687 82.1 138.6 94.0 23.4 12.3 25.7 63.4 114 116 A L + 0 0 3 -3,-0.4 -1,-0.3 87,-0.1 2,-0.3 -0.783 18.3 150.4-105.0 143.6 12.8 28.8 65.4 115 117 A N > - 0 0 21 -2,-0.3 4,-3.6 -3,-0.1 5,-0.2 -0.883 61.3 -76.9-153.4-175.7 11.3 29.7 68.8 116 118 A D H > S+ 0 0 56 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.902 130.9 45.0 -58.3 -41.4 11.9 31.7 72.0 117 119 A E H > S+ 0 0 55 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.932 117.9 41.9 -68.3 -47.5 14.3 29.0 73.2 118 120 A V H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.874 108.6 60.0 -68.3 -38.0 16.1 28.6 69.9 119 121 A A H X S+ 0 0 0 -4,-3.6 4,-1.8 1,-0.2 -1,-0.2 0.883 108.3 45.5 -56.5 -39.9 16.2 32.4 69.3 120 122 A A H X S+ 0 0 50 -4,-1.4 4,-0.9 -5,-0.2 -1,-0.2 0.905 109.4 53.5 -69.8 -43.1 18.2 32.7 72.5 121 123 A G H < S+ 0 0 16 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.745 110.8 50.1 -62.8 -21.3 20.4 29.8 71.5 122 124 A L H X>S+ 0 0 19 -4,-1.5 4,-1.9 1,-0.2 5,-0.6 0.835 98.6 61.4 -84.1 -38.7 21.0 31.8 68.4 123 125 A A H X5S+ 0 0 24 -4,-1.8 4,-0.6 1,-0.2 -2,-0.2 0.739 90.7 81.6 -60.0 -18.8 21.8 35.1 70.1 124 126 A A H <5S+ 0 0 85 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.951 113.6 1.1 -50.4 -66.9 24.7 33.0 71.5 125 127 A K H 45S+ 0 0 48 -4,-0.5 -2,-0.2 -3,-0.4 -1,-0.2 0.731 137.1 47.0 -99.7 -26.9 27.1 33.2 68.6 126 128 A S H <5S- 0 0 17 -4,-1.9 -3,-0.2 1,-0.2 4,-0.2 0.759 111.7-106.5 -87.7 -25.5 25.4 35.4 66.1 127 129 A G X< - 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0 0 12 -5,-2.1 -1,-0.2 1,-0.1 -20,-0.2 -0.323 40.5-135.8 -69.1 162.9 18.1 29.4 2.0 843 855 A D S S- 0 0 65 -22,-3.2 -317,-2.4 1,-0.3 2,-0.3 0.726 72.6 -17.4 -93.0 -24.9 21.6 29.8 0.6 844 856 A Y E -ub 526 822H 5 -23,-1.2 -21,-0.7 -319,-0.3 2,-0.3 -0.992 49.0-132.0-171.5 168.4 22.4 33.1 2.2 845 857 A V E -ub 527 823H 0 -319,-2.0 -317,-3.2 -2,-0.3 2,-0.4 -0.932 16.5-156.4-129.7 149.4 21.4 36.3 4.0 846 858 A S E +u 528 0H 0 -23,-2.2 -317,-0.3 -2,-0.3 -18,-0.3 -0.997 22.4 154.6-134.9 127.7 22.4 39.8 3.3 847 859 A C E -u 529 0H 0 -319,-1.7 -317,-2.9 -2,-0.4 -298,-0.2 -0.759 49.1 -56.7-138.3-177.8 22.4 42.7 5.8 848 860 A S >> - 0 0 15 -319,-0.2 3,-1.2 -2,-0.2 4,-0.8 -0.153 60.9-101.9 -58.7 161.0 24.1 46.0 6.5 849 861 A P G >4 S+ 0 0 11 0, 0.0 3,-1.0 0, 0.0 -395,-0.1 0.916 118.6 45.2 -54.3 -50.0 27.9 46.0 6.8 850 862 A F G 34 S+ 0 0 43 -397,-0.9 4,-0.3 1,-0.2 -396,-0.1 0.471 108.3 58.0 -80.0 0.4 28.2 46.1 10.6 851 863 A R G <> S+ 0 0 63 -3,-1.2 4,-2.4 -398,-0.1 3,-0.4 0.621 81.7 90.1 -99.1 -15.1 25.5 43.5 11.1 852 864 A V H S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.897 111.6 51.2 -57.6 -36.1 29.3 39.4 12.0 854 866 A I H > S+ 0 0 19 -3,-0.4 4,-2.6 -4,-0.3 -2,-0.2 0.909 109.7 49.4 -65.3 -41.7 26.0 39.1 13.9 855 867 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.915 110.6 50.6 -60.9 -45.7 24.4 37.3 11.0 856 868 A R H X S+ 0 0 23 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.952 110.9 48.8 -59.2 -47.6 27.4 35.0 10.8 857 869 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 3,-0.5 0.910 113.3 47.0 -59.1 -45.7 27.2 34.2 14.5 858 870 A A H X S+ 0 0 4 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.863 106.3 57.2 -66.0 -38.0 23.4 33.5 14.2 859 871 A A H < S+ 0 0 1 -4,-2.7 -335,-0.5 1,-0.2 -334,-0.2 0.764 113.7 41.7 -65.5 -23.1 23.8 31.3 11.2 860 872 A A H >X S+ 0 0 0 -4,-1.2 3,-1.3 -3,-0.5 4,-0.6 0.883 108.9 56.4 -88.3 -45.4 26.2 29.1 13.3 861 873 A Q H >< S+ 0 0 48 -4,-2.6 3,-0.7 1,-0.3 -2,-0.2 0.797 99.8 59.4 -58.4 -32.8 24.3 29.1 16.5 862 874 A V T 3< S+ 0 0 38 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.1 0.772 104.5 52.9 -68.5 -23.8 21.1 27.7 15.0 863 875 A L T <4 0 0 68 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.561 360.0 360.0 -89.3 -10.4 23.1 24.7 13.8 864 876 A V << 0 0 93 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.184 360.0 360.0-120.2 360.0 24.6 23.6 17.2