==== 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 07-NOV-01 1KC7 . COMPND 2 MOLECULE: PYRUVATE PHOSPHATE DIKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM SYMBIOSUM; . AUTHOR C.C.CHEN,A.HOWARD,O.HERZBERG . 872 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34395.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 649 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 9.5 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 . 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 . 34 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 333 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.3 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 3 2 3 1 1 7 3 2 1 2 1 3 2 0 2 1 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 4 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 0 PARALLEL BRIDGES PER LADDER . 0 2 5 3 1 2 1 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 . 2 1 0 2 0 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 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 2 A A 0 0 93 0, 0.0 59,-0.1 0, 0.0 58,-0.0 0.000 360.0 360.0 360.0 162.9 11.1 35.5 -37.2 2 3 A K + 0 0 77 1,-0.0 58,-0.1 43,-0.0 43,-0.1 0.980 360.0 151.1 68.1 67.7 14.9 35.3 -36.6 3 4 A W + 0 0 29 56,-0.2 39,-1.5 1,-0.1 2,-0.4 0.339 58.7 56.6-100.1 -4.5 15.5 31.5 -36.5 4 5 A V E -A 41 0A 9 37,-0.2 2,-0.4 41,-0.0 37,-0.2 -0.997 59.8-169.8-138.0 140.1 19.1 31.7 -37.8 5 6 A Y E -A 40 0A 42 35,-2.5 35,-3.1 -2,-0.4 2,-0.1 -0.985 20.5-130.7-130.1 139.0 22.2 33.5 -36.6 6 7 A K E > -A 39 0A 62 -2,-0.4 3,-0.8 33,-0.2 4,-0.3 -0.505 33.6-110.9 -79.3 158.6 25.6 34.0 -38.2 7 8 A F G > S+ 0 0 1 31,-2.3 3,-1.3 1,-0.3 23,-0.2 0.872 120.5 55.4 -57.7 -39.0 28.5 33.1 -36.0 8 9 A E G 3 S+ 0 0 94 30,-0.3 -1,-0.3 1,-0.2 31,-0.1 0.809 98.9 63.7 -65.5 -27.2 29.5 36.7 -35.9 9 10 A E G < S+ 0 0 86 -3,-0.8 -1,-0.2 2,-0.0 2,-0.2 0.467 103.7 48.2 -75.5 -6.9 26.0 37.6 -34.5 10 11 A G < - 0 0 3 -3,-1.3 2,-0.3 -4,-0.3 20,-0.1 -0.671 57.5-166.5-127.6-175.8 26.3 35.6 -31.3 11 12 A N > - 0 0 54 -2,-0.2 3,-1.4 18,-0.1 7,-0.2 -0.931 49.6 -76.2-156.7 179.2 28.5 34.9 -28.3 12 13 A A T 3 S+ 0 0 35 -2,-0.3 3,-0.5 1,-0.3 11,-0.1 0.555 122.6 63.5 -61.1 -10.5 29.0 32.5 -25.3 13 14 A S T 3 S+ 0 0 101 1,-0.2 3,-0.5 10,-0.1 -1,-0.3 0.794 90.1 64.0 -83.5 -33.1 26.1 34.2 -23.6 14 15 A M X> + 0 0 47 -3,-1.4 4,-3.4 1,-0.2 3,-1.0 0.097 65.7 127.0 -81.4 24.4 23.5 33.2 -26.2 15 16 A R H 3> + 0 0 79 -3,-0.5 4,-2.9 1,-0.3 -1,-0.2 0.776 65.9 55.8 -50.5 -39.6 24.1 29.5 -25.3 16 17 A N H 34 S+ 0 0 83 -3,-0.5 -1,-0.3 2,-0.2 79,-0.2 0.828 118.4 35.6 -67.5 -29.7 20.4 28.7 -24.7 17 18 A L H <4 S+ 0 0 26 -3,-1.0 26,-2.2 26,-0.1 27,-0.3 0.864 130.9 30.5 -89.7 -41.6 19.6 30.0 -28.1 18 19 A L H X S- 0 0 2 -4,-3.4 4,-0.5 24,-0.2 -3,-0.2 0.821 102.5-131.5 -87.9 -31.6 22.7 28.8 -30.0 19 20 A G H X - 0 0 0 -4,-2.9 4,-2.6 -5,-0.4 76,-0.3 -0.256 39.5 -67.8 97.0 167.7 23.5 25.7 -27.9 20 21 A G H > S+ 0 0 4 74,-2.8 4,-2.5 2,-0.2 5,-0.2 0.966 135.2 40.8 -58.0 -57.9 27.0 24.9 -26.6 21 22 A K H > S+ 0 0 21 73,-0.4 4,-2.1 2,-0.2 5,-0.2 0.921 117.1 49.1 -57.0 -47.7 28.7 24.3 -29.9 22 23 A G H X S+ 0 0 0 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.933 112.9 45.3 -59.4 -48.5 26.9 27.2 -31.6 23 24 A C H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.873 113.7 52.3 -66.2 -32.4 27.7 29.7 -28.9 24 25 A N H X S+ 0 0 7 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.842 106.9 50.0 -74.8 -27.3 31.3 28.4 -28.8 25 26 A L H X S+ 0 0 7 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.899 113.1 49.0 -72.0 -37.5 31.8 28.9 -32.6 26 27 A A H X S+ 0 0 1 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.934 111.2 49.1 -64.8 -47.7 30.4 32.4 -32.2 27 28 A E H X S+ 0 0 28 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.913 112.2 46.6 -60.9 -44.4 32.7 33.1 -29.3 28 29 A M H <>S+ 0 0 0 -4,-2.4 5,-1.9 2,-0.2 -1,-0.2 0.897 111.7 52.4 -66.3 -36.6 35.8 31.8 -31.1 29 30 A T H ><5S+ 0 0 24 -4,-2.0 3,-2.2 1,-0.2 -2,-0.2 0.934 105.8 54.2 -61.2 -46.6 34.8 33.8 -34.1 30 31 A I H 3<5S+ 0 0 93 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.776 105.0 54.8 -56.7 -32.7 34.5 36.9 -31.9 31 32 A L T 3<5S- 0 0 42 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.419 118.9-113.7 -82.7 -0.9 38.1 36.3 -30.8 32 33 A G T < 5 + 0 0 66 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.827 58.8 160.7 72.7 33.9 39.2 36.3 -34.4 33 34 A M < - 0 0 15 -5,-1.9 2,-3.3 1,-0.1 -1,-0.2 -0.473 58.8 -93.8 -86.3 156.6 40.3 32.6 -34.5 34 35 A P S S+ 0 0 42 0, 0.0 298,-2.1 0, 0.0 -1,-0.1 -0.416 70.5 153.3 -70.9 69.9 40.7 30.7 -37.8 35 36 A I - 0 0 12 -2,-3.3 298,-0.1 296,-0.2 3,-0.1 -0.923 47.5-123.1-102.2 115.5 37.1 29.4 -37.5 36 37 A P - 0 0 12 0, 0.0 2,-0.1 0, 0.0 206,-0.1 -0.319 40.0-102.5 -58.7 147.6 35.5 28.6 -40.8 37 38 A Q + 0 0 44 202,-0.1 203,-2.7 204,-0.1 2,-0.3 -0.332 57.4 125.4 -77.8 151.9 32.3 30.6 -41.2 38 39 A G E - B 0 239A 0 201,-0.2 -31,-2.3 -3,-0.1 2,-0.3 -0.970 41.6-106.8-177.0-171.3 28.8 29.5 -40.7 39 40 A F E -AB 6 238A 0 199,-2.3 199,-3.3 -2,-0.3 2,-0.4 -0.919 17.5-130.1-140.2 163.3 25.5 30.0 -39.1 40 41 A T E -AB 5 237A 2 -35,-3.1 -35,-2.5 -2,-0.3 2,-0.7 -0.949 6.5-147.2-121.8 130.0 23.3 28.4 -36.4 41 42 A V E -AB 4 236A 0 195,-3.0 195,-2.3 -2,-0.4 -37,-0.2 -0.892 43.9-118.8 -93.5 117.4 19.7 27.4 -36.6 42 43 A T >> - 0 0 0 -39,-1.5 4,-0.6 -2,-0.7 3,-0.6 0.019 8.1-115.0 -63.2 162.7 18.6 28.1 -33.0 43 44 A T H >> S+ 0 0 9 -26,-2.2 4,-1.7 1,-0.2 3,-0.7 0.816 116.8 63.1 -62.8 -30.2 17.2 25.8 -30.3 44 45 A E H 3> S+ 0 0 107 -27,-0.3 4,-2.7 1,-0.3 -1,-0.2 0.869 96.7 55.2 -64.3 -34.1 13.9 27.9 -30.6 45 46 A A H <> S+ 0 0 0 -3,-0.6 4,-1.8 1,-0.2 -1,-0.3 0.727 104.5 56.7 -70.9 -19.7 13.5 26.8 -34.2 46 47 A C H <>S+ 0 0 10 -4,-1.8 6,-1.4 1,-0.2 5,-1.1 0.885 112.4 45.8 -60.2 -36.9 9.7 22.4 -35.5 50 51 A Y H ><5S+ 0 0 57 -4,-1.9 3,-0.9 1,-0.2 4,-0.3 0.869 109.6 52.9 -74.4 -36.1 8.0 20.5 -32.7 51 52 A N T 3<5S+ 0 0 121 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.425 104.1 60.3 -77.8 0.8 5.0 23.0 -32.4 52 53 A S T < 5S- 0 0 39 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.1 -0.040 130.0 -86.5-117.5 31.8 4.4 22.6 -36.1 53 54 A G T < 5S- 0 0 57 -3,-0.9 -3,-0.2 1,-0.2 -2,-0.1 0.851 83.0 -58.3 69.8 36.9 3.7 18.9 -36.2 54 55 A K S - 0 0 10 -2,-0.5 4,-2.0 -12,-0.2 3,-0.3 -0.351 19.1-111.5 -71.5 159.6 8.0 25.9 -41.0 58 59 A Q H > S+ 0 0 147 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.874 115.7 53.1 -56.3 -42.6 8.2 27.8 -44.2 59 60 A E H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.829 105.5 51.7 -68.3 -33.6 9.9 30.7 -42.6 60 61 A I H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.949 109.8 49.5 -71.0 -46.0 12.7 28.7 -41.1 61 62 A Q H X S+ 0 0 74 -4,-2.0 4,-2.5 2,-0.2 5,-0.4 0.945 108.9 53.4 -56.7 -45.0 13.5 27.2 -44.4 62 63 A D H X S+ 0 0 91 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.943 112.5 45.1 -54.2 -46.1 13.5 30.6 -46.0 63 64 A Q H X S+ 0 0 24 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.802 109.6 53.4 -69.4 -29.3 16.0 31.7 -43.4 64 65 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 3,-0.3 0.984 114.2 42.6 -66.1 -56.5 18.2 28.6 -43.6 65 66 A F H X S+ 0 0 35 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.811 111.2 57.4 -57.4 -32.3 18.5 29.2 -47.4 66 67 A E H X S+ 0 0 127 -4,-1.8 4,-1.7 -5,-0.4 3,-0.5 0.944 107.4 45.5 -66.5 -45.1 19.0 32.8 -46.8 67 68 A A H X S+ 0 0 12 -4,-2.1 4,-2.0 -3,-0.3 -2,-0.2 0.882 107.1 59.6 -64.6 -38.6 22.0 32.2 -44.5 68 69 A I H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -1,-0.3 0.820 103.3 52.6 -58.9 -30.6 23.3 29.8 -47.1 69 70 A T H X S+ 0 0 59 -4,-1.2 4,-2.2 -3,-0.5 -1,-0.2 0.908 104.8 54.5 -71.2 -40.2 23.3 32.7 -49.6 70 71 A W H X S+ 0 0 31 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.905 110.9 46.0 -57.6 -40.4 25.3 34.7 -47.1 71 72 A L H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.964 107.8 55.7 -66.8 -51.5 27.9 31.9 -47.1 72 73 A E H X>S+ 0 0 40 -4,-2.5 4,-1.8 1,-0.2 5,-1.7 0.868 112.1 44.0 -45.7 -46.8 28.0 31.5 -50.9 73 74 A E H <5S+ 0 0 144 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.938 111.3 51.5 -66.8 -51.3 28.9 35.2 -51.2 74 75 A L H <5S+ 0 0 94 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.936 121.6 35.8 -49.4 -50.1 31.4 35.2 -48.4 75 76 A N H <5S- 0 0 61 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.625 99.3-130.5 -81.0 -19.1 33.0 32.2 -50.1 76 77 A G T <5S+ 0 0 63 -4,-1.8 2,-0.4 -5,-0.3 -3,-0.2 0.770 75.1 108.8 70.8 23.7 32.5 33.1 -53.8 77 78 A K S -e 85 0B 138 6,-0.5 3,-2.4 -2,-0.4 8,-1.9 -0.676 40.5-101.3 -82.4 129.6 27.6 28.3 -54.8 79 80 A F E 3 S-e 86 0B 10 -2,-0.4 8,-0.1 1,-0.3 121,-0.1 -0.287 102.6 -14.2 -51.2 103.6 26.3 25.8 -52.3 80 81 A G T 3 S+ 0 0 4 6,-1.8 -1,-0.3 -2,-0.4 34,-0.2 0.485 92.9 174.6 77.6 4.4 26.7 22.4 -54.0 81 82 A D < - 0 0 47 -3,-2.4 -1,-0.2 3,-0.3 36,-0.1 -0.028 39.8-124.1 -44.2 139.1 27.2 24.0 -57.4 82 83 A T S S+ 0 0 58 2,-0.1 35,-0.6 1,-0.1 -1,-0.1 0.730 104.2 35.3 -61.8 -20.6 28.1 21.6 -60.2 83 84 A E S S+ 0 0 124 1,-0.1 38,-0.4 34,-0.1 37,-0.2 0.923 136.1 3.1 -98.8 -64.0 31.3 23.6 -61.0 84 85 A D S S- 0 0 39 36,-0.1 -6,-0.5 37,-0.1 -3,-0.3 -0.693 85.6-159.9-127.9 74.8 33.0 25.0 -57.9 85 86 A P E -e 78 0B 2 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.262 15.1-140.1 -66.8 141.4 30.8 23.7 -55.1 86 87 A L E -e 79 0B 4 -8,-1.9 -6,-1.8 23,-0.1 2,-0.4 -0.827 25.4-164.9 -91.1 130.7 30.6 25.2 -51.6 87 88 A L - 0 0 6 -2,-0.5 154,-2.5 -8,-0.1 2,-0.3 -0.914 5.6-170.6-121.5 150.7 30.4 22.3 -49.2 88 89 A V E -CD 108 240A 0 20,-2.0 20,-2.4 -2,-0.4 2,-0.3 -0.894 19.2-127.2-134.0 164.6 29.4 22.6 -45.5 89 90 A S E - D 0 239A 8 150,-2.9 150,-2.2 -2,-0.3 2,-0.5 -0.833 16.8-149.3-109.0 152.3 29.2 20.5 -42.4 90 91 A V E +CD 105 238A 0 15,-2.5 15,-1.7 -2,-0.3 2,-0.5 -0.975 20.4 175.7-125.1 115.9 26.1 20.1 -40.3 91 92 A R E -CD 104 237A 28 146,-3.1 146,-2.9 -2,-0.5 13,-0.2 -0.960 19.7-143.9-129.1 119.6 26.5 19.6 -36.6 92 93 A S E + D 0 236A 2 11,-1.6 2,-0.3 -2,-0.5 144,-0.2 -0.530 25.2 166.6 -80.8 141.4 23.8 19.4 -33.9 93 94 A G E - D 0 235A 2 142,-2.3 142,-2.5 -2,-0.2 -71,-0.2 -0.890 16.1-158.9-158.9 128.4 24.4 20.9 -30.5 94 95 A A - 0 0 4 2,-0.5 -74,-2.8 -2,-0.3 -73,-0.4 -0.465 42.9 -92.6 -99.4 172.9 22.1 21.7 -27.5 95 96 A R S S+ 0 0 60 138,-0.4 2,-0.4 -76,-0.3 139,-0.1 0.822 116.0 54.3 -52.8 -39.0 22.5 24.1 -24.6 96 97 A A S S- 0 0 20 -80,-0.1 -2,-0.5 -77,-0.0 2,-0.2 -0.829 97.1-115.0-100.7 140.4 24.0 21.2 -22.5 97 98 A S - 0 0 25 -2,-0.4 -2,-0.1 -4,-0.1 -4,-0.1 -0.530 28.3-175.6 -77.4 138.3 27.0 19.3 -24.0 98 99 A M >> - 0 0 3 -2,-0.2 3,-2.3 -4,-0.1 4,-0.6 -0.656 14.5-158.3-134.5 71.3 26.2 15.6 -24.8 99 100 A P T 34 S+ 0 0 12 0, 0.0 362,-0.1 0, 0.0 -2,-0.0 -0.382 78.1 13.5 -58.5 123.5 29.6 14.2 -25.9 100 101 A G T 34 S+ 0 0 25 -2,-0.1 358,-0.1 357,-0.0 354,-0.0 0.267 114.9 77.4 93.9 -5.4 29.1 11.1 -28.1 101 102 A M T <4 S+ 0 0 13 -3,-2.3 2,-0.1 330,-0.1 121,-0.0 0.525 75.9 82.2-111.3 -7.5 25.4 11.7 -28.5 102 103 A M S < S- 0 0 39 -4,-0.6 2,-0.4 1,-0.1 -9,-0.1 -0.311 72.5-102.7 -96.6-179.6 25.2 14.4 -31.2 103 104 A D + 0 0 22 -11,-0.1 -11,-1.6 -2,-0.1 2,-0.4 -0.814 24.8 179.6-114.2 144.5 25.4 14.4 -34.9 104 105 A T E +C 91 0A 36 -2,-0.4 2,-0.5 -13,-0.2 -13,-0.2 -0.994 2.5 179.0-139.0 127.5 27.9 15.4 -37.5 105 106 A I E -C 90 0A 0 -15,-1.7 -15,-2.5 -2,-0.4 3,-0.3 -0.995 16.4-163.7-126.1 119.5 27.6 15.3 -41.4 106 107 A L E + 0 0 24 -2,-0.5 -17,-0.2 -17,-0.2 33,-0.1 -0.720 63.3 20.7-103.3 159.2 30.7 16.4 -43.3 107 108 A N E > S+ 0 0 0 -2,-0.3 3,-1.2 1,-0.2 2,-0.3 0.747 74.1 174.7 62.6 31.1 30.9 17.5 -47.0 108 109 A L E 3 +C 88 0A 0 -20,-2.4 -20,-2.0 -3,-0.3 -1,-0.2 -0.482 56.9 52.1 -73.7 132.2 27.3 18.1 -47.4 109 110 A G T 3 S+ 0 0 0 1,-0.5 -1,-0.2 -2,-0.3 5,-0.1 0.102 75.7 125.0 131.2 -19.9 26.5 19.6 -50.9 110 111 A L < + 0 0 0 -3,-1.2 -1,-0.5 21,-0.1 2,-0.2 -0.356 28.3 156.3 -69.6 148.6 28.2 16.9 -53.0 111 112 A N > - 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0 0 19 -3,-1.5 3,-0.0 -4,-0.6 -3,-0.0 -0.365 57.0-154.7 -80.8 166.4 2.0 -12.0 24.2 581 582 A D + 0 0 150 -2,-0.1 2,-0.4 0, 0.0 -1,-0.1 0.196 68.7 74.4-126.2 10.8 -1.6 -11.2 25.3 582 583 A S S > S- 0 0 37 1,-0.1 4,-2.3 0, 0.0 5,-0.2 -0.959 71.1-138.9-129.3 143.1 -0.7 -8.8 28.1 583 584 A V H > S+ 0 0 73 -2,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.845 114.7 51.9 -64.8 -26.7 0.5 -5.2 28.2 584 585 A E H > S+ 0 0 119 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.879 109.5 46.7 -74.2 -37.3 2.7 -6.6 31.0 585 586 A A H > S+ 0 0 26 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.808 110.1 54.1 -73.7 -28.8 3.9 -9.5 28.9 586 587 A R H X S+ 0 0 53 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.933 110.3 48.1 -69.2 -42.6 4.6 -7.0 26.1 587 588 A E H X S+ 0 0 62 -4,-1.9 4,-3.9 2,-0.2 -2,-0.2 0.937 111.5 47.2 -61.7 -49.9 6.7 -4.9 28.5 588 589 A E H X S+ 0 0 122 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.901 113.8 48.9 -61.7 -39.2 8.7 -7.8 29.9 589 590 A A H >X S+ 0 0 2 -4,-1.9 3,-1.3 2,-0.2 4,-0.5 0.992 115.7 43.5 -62.7 -56.5 9.4 -9.1 26.4 590 591 A L H >< S+ 0 0 0 -4,-2.9 3,-2.7 1,-0.3 4,-0.5 0.923 107.5 59.6 -51.5 -51.6 10.4 -5.6 25.2 591 592 A N H >< S+ 0 0 80 -4,-3.9 3,-1.0 1,-0.3 -1,-0.3 0.751 91.2 68.2 -56.0 -23.0 12.5 -5.0 28.3 592 593 A E H << S+ 0 0 71 -3,-1.3 4,-0.4 -4,-1.1 -1,-0.3 0.774 95.5 59.8 -66.1 -23.7 14.7 -8.0 27.6 593 594 A L T S+ 0 0 17 -3,-1.0 4,-2.6 -4,-0.5 5,-0.3 0.832 85.6 51.0 -49.6 -42.9 17.2 -3.1 26.6 595 596 A P H > S+ 0 0 79 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.950 113.9 44.9 -64.9 -37.8 20.7 -4.4 27.4 596 597 A F H > S+ 0 0 69 -3,-0.5 4,-1.4 -4,-0.4 -2,-0.2 0.867 118.7 41.1 -68.7 -38.5 21.3 -5.3 23.7 597 598 A Q H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.899 109.9 55.4 -79.6 -41.0 20.1 -2.0 22.3 598 599 A K H X S+ 0 0 42 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.885 109.5 53.4 -57.9 -32.2 21.6 0.2 25.0 599 600 A G H X S+ 0 0 33 -4,-1.3 4,-1.9 -5,-0.3 -1,-0.2 0.907 105.6 49.3 -69.8 -43.5 24.8 -1.5 23.9 600 601 A D H X S+ 0 0 34 -4,-1.4 4,-1.4 1,-0.2 -2,-0.2 0.966 114.0 47.6 -58.6 -48.4 24.3 -0.7 20.2 601 602 A F H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.816 107.7 53.6 -62.4 -37.4 23.7 3.0 21.2 602 603 A K H X S+ 0 0 44 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.958 108.6 50.8 -60.1 -51.8 26.7 3.3 23.5 603 604 A A H X S+ 0 0 42 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.805 111.1 49.1 -55.2 -34.5 28.9 2.1 20.7 604 605 A M H X S+ 0 0 3 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.909 112.4 46.4 -75.2 -39.8 27.3 4.7 18.5 605 606 A Y H X S+ 0 0 8 -4,-2.4 4,-1.6 2,-0.2 5,-0.4 0.798 110.8 54.3 -70.8 -27.0 27.8 7.5 21.0 606 607 A K H >< S+ 0 0 114 -4,-2.7 3,-0.7 2,-0.2 -2,-0.2 0.989 112.1 42.8 -68.5 -58.0 31.4 6.3 21.5 607 608 A A H 3< S+ 0 0 18 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.820 114.6 54.5 -56.2 -30.4 32.1 6.5 17.8 608 609 A L H >< S- 0 0 1 -4,-2.0 3,-1.6 -5,-0.1 -1,-0.2 0.790 78.5-163.5 -77.4 -33.2 30.2 9.9 17.7 609 610 A E T << S- 0 0 122 -4,-1.6 -3,-0.1 -3,-0.7 88,-0.1 0.870 77.3 -35.6 49.0 49.8 32.1 11.8 20.4 610 611 A G T 3 S+ 0 0 40 -5,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.307 102.2 130.2 93.5 -11.4 29.5 14.6 20.8 611 612 A R < - 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