==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 07-MAY-90 2CSC . COMPND 2 MOLECULE: CITRATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR M.KARPUSAS,D.HOLLAND,S.J.REMINGTON . 429 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19740.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 296 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 1 0.2 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 . 9 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 48.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 0 1 1 1 1 2 2 2 1 4 1 0 0 0 0 0 1 0 1 1 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 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 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 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 1 A A 0 0 160 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 175.4 9.2 0.8 -42.6 2 2 A S - 0 0 137 2,-0.0 2,-0.1 0, 0.0 0, 0.0 0.304 360.0 -97.6 66.3 177.0 9.5 2.9 -39.4 3 3 A S - 0 0 117 1,-0.1 2,-0.2 0, 0.0 0, 0.0 0.045 58.8 -33.5-113.6-167.1 11.6 3.6 -36.2 4 4 A T + 0 0 38 101,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.495 50.8 154.3 -75.8 137.8 11.6 2.6 -32.2 5 5 A N >> - 0 0 63 -2,-0.2 4,-1.5 1,-0.1 3,-1.4 -0.683 26.8-164.0-163.0 102.1 8.4 2.1 -30.1 6 6 A L H 3> S+ 0 0 0 1,-0.3 4,-2.5 -2,-0.2 5,-0.2 0.807 92.9 60.5 -52.9 -33.9 8.3 -0.0 -27.0 7 7 A K H 3> S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.868 102.8 50.8 -65.9 -34.3 4.5 0.0 -27.1 8 8 A D H <> S+ 0 0 110 -3,-1.4 4,-0.8 2,-0.2 -1,-0.2 0.821 110.3 49.5 -69.0 -35.2 4.5 -1.6 -30.6 9 9 A V H >X S+ 0 0 49 -4,-1.5 4,-2.3 2,-0.2 3,-1.1 0.948 109.4 51.3 -68.3 -47.8 6.8 -4.4 -29.4 10 10 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.3 -2,-0.2 0.927 104.7 57.8 -53.0 -44.5 4.6 -4.9 -26.4 11 11 A A H 3< S+ 0 0 51 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.724 110.7 43.8 -56.7 -27.9 1.6 -5.2 -28.7 12 12 A A H << S+ 0 0 69 -3,-1.1 4,-0.5 -4,-0.8 -1,-0.2 0.942 116.2 45.5 -84.8 -39.5 3.4 -8.0 -30.5 13 13 A L H >X S+ 0 0 40 -4,-2.3 4,-1.8 1,-0.2 3,-1.3 0.911 99.7 68.9 -67.1 -55.0 4.6 -9.8 -27.2 14 14 A I H 3X S+ 0 0 6 -4,-2.9 4,-2.4 1,-0.3 5,-0.2 0.837 99.2 46.8 -39.6 -59.1 1.2 -9.7 -25.1 15 15 A P H 3> S+ 0 0 63 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.781 110.6 52.3 -55.1 -40.6 -0.9 -12.1 -27.2 16 16 A K H <> S+ 0 0 157 -3,-1.3 4,-2.7 -4,-0.5 -2,-0.2 0.918 112.8 44.2 -64.5 -43.1 1.9 -14.7 -27.4 17 17 A E H X S+ 0 0 36 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.878 110.9 54.8 -66.2 -41.3 2.3 -14.7 -23.7 18 18 A Q H X S+ 0 0 90 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.936 111.4 44.2 -52.8 -54.3 -1.4 -14.8 -23.2 19 19 A A H X S+ 0 0 53 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.926 113.2 53.2 -55.3 -47.8 -1.6 -17.9 -25.3 20 20 A R H X S+ 0 0 171 -4,-2.7 4,-1.0 1,-0.3 -2,-0.2 0.861 110.4 44.3 -60.5 -47.3 1.4 -19.4 -23.6 21 21 A I H X S+ 0 0 38 -4,-3.1 4,-1.6 2,-0.2 -1,-0.3 0.769 110.1 58.9 -69.7 -32.1 0.0 -19.0 -20.0 22 22 A K H X S+ 0 0 140 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.987 107.9 41.4 -67.7 -48.7 -3.4 -20.3 -21.1 23 23 A T H X S+ 0 0 83 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.764 113.4 55.2 -58.6 -36.1 -2.3 -23.6 -22.4 24 24 A F H X S+ 0 0 123 -4,-1.0 4,-1.6 -5,-0.2 -1,-0.2 0.831 112.3 42.9 -69.7 -33.6 0.1 -24.1 -19.4 25 25 A R H X S+ 0 0 169 -4,-1.6 4,-3.1 2,-0.2 5,-0.2 0.896 106.4 62.2 -79.2 -33.0 -2.6 -23.5 -17.1 26 26 A Q H < S+ 0 0 151 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.892 117.9 29.6 -60.0 -31.2 -4.9 -25.7 -19.1 27 27 A Q H < S+ 0 0 134 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.691 136.1 25.0 -95.4 -29.3 -2.7 -28.6 -18.5 28 28 A H H >< S+ 0 0 84 -4,-1.6 3,-1.9 -5,-0.1 -3,-0.2 0.430 79.0 107.2-122.0 1.9 -1.2 -27.7 -15.1 29 29 A G T 3< S+ 0 0 59 -4,-3.1 -3,-0.1 1,-0.3 -4,-0.1 0.743 85.8 52.0 -50.6 -31.9 -3.6 -25.4 -13.2 30 30 A G T 3 S+ 0 0 83 -5,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.587 84.1 119.3 -82.8 -14.0 -4.5 -28.2 -10.8 31 31 A T < - 0 0 74 -3,-1.9 2,-0.5 1,-0.1 3,-0.1 -0.238 66.0-128.1 -63.5 130.7 -0.9 -29.0 -10.1 32 32 A A + 0 0 90 1,-0.2 3,-0.1 -2,-0.0 -1,-0.1 -0.717 28.5 175.6 -83.0 124.5 0.2 -28.7 -6.5 33 33 A L - 0 0 124 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.443 63.2 -25.6-103.8 -15.3 3.2 -26.5 -6.3 34 34 A G - 0 0 60 -3,-0.1 -1,-0.3 14,-0.1 2,-0.3 -0.995 56.4-106.4 178.9 172.9 3.4 -26.5 -2.6 35 35 A Q - 0 0 170 -2,-0.3 2,-0.5 -3,-0.1 14,-0.2 -0.815 23.3-133.9-115.0 165.5 1.8 -26.8 0.9 36 36 A I - 0 0 109 -2,-0.3 2,-0.3 12,-0.1 11,-0.0 -0.960 21.0-167.5-123.9 129.2 1.0 -24.2 3.5 37 37 A T > - 0 0 69 -2,-0.5 4,-1.5 1,-0.1 3,-0.1 -0.723 34.8-110.3-110.3 170.7 1.8 -24.8 7.1 38 38 A V H > S+ 0 0 77 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.926 118.9 55.5 -63.7 -46.0 0.8 -23.0 10.3 39 39 A D H > S+ 0 0 130 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.842 105.3 52.5 -56.0 -37.3 4.2 -21.6 10.8 40 40 A M H 4>S+ 0 0 38 2,-0.2 5,-2.4 1,-0.2 6,-0.6 0.843 110.2 48.8 -65.1 -39.4 4.1 -20.1 7.2 41 41 A S H ><5S+ 0 0 78 -4,-1.5 3,-0.5 -3,-0.3 -2,-0.2 0.864 117.9 37.8 -69.9 -38.6 0.8 -18.4 8.1 42 42 A Y H 3<5S+ 0 0 128 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.612 113.7 66.3 -83.4 -14.2 2.1 -17.0 11.4 43 43 A G T ><5S- 0 0 28 -4,-0.9 3,-0.6 -5,-0.3 -1,-0.2 0.049 118.6 -92.5-105.1 25.6 5.4 -16.4 9.7 44 44 A G T < 5S- 0 0 53 -3,-0.5 -3,-0.2 1,-0.2 3,-0.2 0.716 75.9 -68.0 77.6 24.2 4.9 -13.7 7.1 45 45 A M T > -A 63 0A 57 4,-1.9 4,-2.5 -2,-0.5 263,-0.2 -0.894 17.4-135.6-100.7 130.9 17.5 -17.2 -6.1 60 60 A P T 4 S+ 0 0 50 0, 0.0 262,-3.8 0, 0.0 263,-0.3 0.688 102.8 24.9 -50.2 -34.4 18.3 -17.8 -2.4 61 61 A D T 4 S+ 0 0 79 260,-0.2 260,-0.0 2,-0.1 -2,-0.0 0.766 129.7 36.9-102.5 -51.4 21.9 -18.6 -3.2 62 62 A E T 4 S- 0 0 117 1,-0.2 2,-0.1 263,-0.0 259,-0.0 0.729 98.8-140.3 -78.1 -26.1 22.8 -16.9 -6.4 63 63 A G E < -A 59 0A 0 -4,-2.5 -4,-1.9 262,-0.1 -1,-0.2 -0.501 47.2 -4.3 96.2-169.3 20.7 -13.7 -5.8 64 64 A I E -A 58 0A 3 -6,-0.2 7,-0.5 -2,-0.1 2,-0.4 -0.290 51.6-164.3 -69.3 146.3 18.5 -11.7 -8.3 65 65 A R E -AB 57 70A 83 -8,-1.7 -8,-2.1 1,-0.2 5,-0.2 -0.998 10.1-161.1-131.9 124.4 18.1 -12.3 -12.1 66 66 A F S S- 0 0 4 3,-2.7 -1,-0.2 -2,-0.4 4,-0.1 0.966 90.0 -15.7 -65.0 -71.9 16.7 -9.8 -14.5 67 67 A R S S- 0 0 150 3,-0.1 -10,-0.3 -11,-0.1 -2,-0.1 0.459 127.0 -54.3 -79.8 -85.5 15.8 -12.0 -17.4 68 68 A G S S+ 0 0 43 31,-0.1 2,-0.5 -12,-0.1 -12,-0.1 -0.151 117.0 127.8-119.6 21.5 17.8 -14.8 -16.4 69 69 A F - 0 0 28 4,-0.1 -3,-2.7 3,-0.0 2,-0.1 -0.750 50.7-144.7 -92.4 128.6 20.5 -12.1 -16.3 70 70 A S B > -B 65 0A 19 -2,-0.5 4,-2.6 -5,-0.2 5,-0.2 -0.335 31.6-102.6 -75.8 169.3 22.6 -11.6 -13.2 71 71 A I H > S+ 0 0 10 -7,-0.5 4,-2.5 2,-0.2 5,-0.2 0.915 123.6 52.1 -57.8 -46.8 23.8 -8.4 -12.2 72 72 A P H > S+ 0 0 84 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.957 109.9 50.6 -59.7 -39.6 27.3 -9.2 -13.5 73 73 A E H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.878 110.7 48.6 -61.7 -41.3 25.8 -10.1 -16.9 74 74 A C H X S+ 0 0 4 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.900 104.8 59.6 -61.0 -46.5 23.8 -6.8 -16.9 75 75 A Q H < S+ 0 0 51 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.923 116.3 34.1 -50.8 -42.5 26.9 -4.9 -16.1 76 76 A K H < S+ 0 0 150 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.819 123.4 41.0 -83.8 -33.5 28.4 -6.3 -19.2 77 77 A L H < S+ 0 0 77 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.747 91.9 82.1 -88.6 -36.1 25.4 -6.5 -21.6 78 78 A L S < S- 0 0 3 -4,-2.5 2,-0.1 -5,-0.2 25,-0.1 -0.474 87.9-100.5 -68.8 143.6 23.3 -3.3 -21.0 79 79 A P - 0 0 29 0, 0.0 9,-2.2 0, 0.0 12,-0.3 -0.408 34.1-142.8 -67.9 153.5 24.5 -0.2 -22.8 80 80 A K B -C 87 0B 61 7,-0.2 -5,-0.0 2,-0.2 5,-0.0 -0.606 25.3-105.9-112.8 160.7 26.4 2.5 -21.0 81 81 A G 0 0 42 5,-0.7 127,-0.0 -2,-0.2 -1,-0.0 0.676 360.0 360.0 -60.7 -23.9 26.4 6.4 -21.3 82 82 A G 0 0 94 4,-0.2 -2,-0.2 0, 0.0 0, 0.0 -0.226 360.0 360.0-162.4 360.0 29.7 6.5 -23.2 83 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 84 84 A G 0 0 60 0, 0.0 -4,-0.1 0, 0.0 142,-0.0 0.000 360.0 360.0 360.0 15.9 31.0 5.3 -19.5 85 85 A G + 0 0 34 2,-0.1 -5,-0.0 -6,-0.1 141,-0.0 0.573 360.0 82.8-121.4 -18.9 31.2 2.1 -17.5 86 86 A E S S- 0 0 25 1,-0.1 -5,-0.7 -10,-0.0 -4,-0.2 -0.677 80.9-105.9 -98.2 145.2 28.0 1.7 -15.8 87 87 A P B -C 80 0B 2 0, 0.0 -7,-0.2 0, 0.0 146,-0.1 -0.330 32.4-119.8 -63.6 143.0 24.7 0.3 -17.2 88 88 A L > - 0 0 13 -9,-2.2 4,-1.3 1,-0.1 3,-0.5 -0.631 10.2-139.5 -80.4 129.7 21.9 2.8 -18.0 89 89 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 3,-0.4 0.930 102.4 69.6 -61.7 -31.6 18.7 2.1 -16.0 90 90 A E H > S+ 0 0 0 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.900 99.9 46.2 -42.9 -47.3 16.9 2.9 -19.3 91 91 A G H > S+ 0 0 0 -3,-0.5 4,-2.0 1,-0.3 -1,-0.3 0.846 108.9 53.7 -67.7 -43.2 18.3 -0.3 -20.7 92 92 A L H X S+ 0 0 0 -4,-1.3 4,-2.7 -3,-0.4 -1,-0.3 0.859 106.4 54.6 -54.7 -44.4 17.4 -2.3 -17.7 93 93 A F H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.939 107.8 47.9 -59.5 -47.1 13.9 -1.0 -18.1 94 94 A W H X S+ 0 0 5 -4,-1.8 4,-2.4 1,-0.2 6,-0.5 0.852 112.6 51.4 -55.6 -46.2 13.7 -2.3 -21.7 95 95 A L H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.912 109.9 46.6 -61.0 -48.6 15.0 -5.6 -20.5 96 96 A L H < S+ 0 0 9 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.925 116.6 44.6 -59.1 -46.1 12.5 -6.0 -17.8 97 97 A V H < S+ 0 0 2 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.919 128.2 23.5 -66.3 -47.8 9.6 -5.1 -19.9 98 98 A T H < S- 0 0 7 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.448 92.7-122.7-100.5 -20.8 10.5 -7.0 -23.0 99 99 A G S < S+ 0 0 24 -4,-2.5 2,-0.4 -5,-0.2 -4,-0.2 0.391 79.3 99.8 89.7 -7.3 12.7 -9.9 -22.0 100 100 A Q S S- 0 0 106 -6,-0.5 -2,-0.2 -5,-0.1 -1,-0.2 -0.864 78.1-110.9-122.8 155.3 15.4 -8.8 -24.3 101 101 A I - 0 0 54 -2,-0.4 2,-0.1 -3,-0.1 -9,-0.1 -0.526 43.0-130.7 -76.6 127.0 18.7 -6.8 -24.2 102 102 A P - 0 0 5 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.422 9.4-119.7 -82.5 159.4 18.2 -3.5 -25.9 103 103 A T > - 0 0 74 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.438 33.4-105.8 -89.5 161.4 20.3 -1.9 -28.5 104 104 A G H > S+ 0 0 42 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.902 123.4 53.3 -50.5 -42.6 21.9 1.4 -27.8 105 105 A A H > S+ 0 0 68 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.841 106.4 50.2 -68.1 -33.9 19.4 2.9 -30.1 106 106 A Q H >> S+ 0 0 42 2,-0.2 4,-1.4 1,-0.2 3,-0.6 0.891 112.1 51.1 -61.1 -50.5 16.5 1.4 -28.3 107 107 A V H 3X S+ 0 0 3 -4,-2.4 4,-1.9 1,-0.3 -2,-0.2 0.914 101.8 56.3 -62.6 -39.3 18.0 2.8 -25.2 108 108 A S H 3X S+ 0 0 73 -4,-2.8 4,-2.5 1,-0.2 -1,-0.3 0.831 103.1 59.8 -58.6 -27.1 18.4 6.2 -26.5 109 109 A W H < S+ 0 0 12 -4,-1.7 3,-0.8 -5,-0.3 -2,-0.2 0.915 106.3 50.5 -84.0 -42.2 12.7 13.3 -21.1 116 116 A K H 3< S+ 0 0 158 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.736 112.8 48.6 -58.2 -31.6 9.7 14.4 -23.1 117 117 A R T 3< S+ 0 0 41 -4,-1.2 2,-1.1 -5,-0.2 -1,-0.2 0.514 78.2 108.3 -89.0 -15.4 7.3 13.2 -20.4 118 118 A A < + 0 0 20 -3,-0.8 2,-0.4 -4,-0.5 85,-0.2 -0.680 43.1 131.9 -73.7 89.2 8.8 14.8 -17.2 119 119 A A - 0 0 60 -2,-1.1 62,-0.1 58,-0.2 61,-0.0 -0.995 41.6-147.6-152.2 133.2 6.5 17.6 -16.2 120 120 A L - 0 0 40 -2,-0.4 2,-0.3 64,-0.0 -2,-0.0 -0.841 16.9-126.4-111.9 133.8 5.0 18.4 -13.0 121 121 A P >> - 0 0 20 0, 0.0 4,-1.7 0, 0.0 3,-1.2 -0.604 24.7-114.4 -79.6 149.6 1.7 19.9 -12.5 122 122 A S H 3> S+ 0 0 93 -2,-0.3 4,-2.1 1,-0.3 5,-0.1 0.760 110.8 58.2 -53.5 -33.0 1.2 23.0 -10.6 123 123 A H H 3> S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.912 108.1 48.0 -69.4 -32.0 -0.7 21.5 -7.7 124 124 A V H <> S+ 0 0 0 -3,-1.2 4,-2.3 2,-0.2 5,-0.2 0.936 109.6 50.7 -70.0 -45.0 2.1 19.1 -7.0 125 125 A V H X S+ 0 0 43 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.930 111.0 54.2 -59.6 -38.4 4.8 21.8 -7.1 126 126 A T H X S+ 0 0 70 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.891 107.8 44.1 -59.2 -54.1 2.7 23.7 -4.7 127 127 A M H X S+ 0 0 56 -4,-1.7 4,-1.1 2,-0.2 3,-0.2 0.909 112.9 52.0 -61.8 -42.2 2.3 21.0 -2.1 128 128 A L H >< S+ 0 0 2 -4,-2.3 3,-1.3 1,-0.3 -2,-0.2 0.981 109.4 50.9 -63.8 -47.5 5.9 20.1 -2.1 129 129 A D H 3< S+ 0 0 83 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.786 113.1 45.3 -58.9 -31.4 6.9 23.7 -1.6 130 130 A N H 3< S+ 0 0 131 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.538 86.6 115.3 -90.5 -10.7 4.5 24.1 1.4 131 131 A F S << S- 0 0 46 -3,-1.3 -3,-0.0 -4,-1.1 9,-0.0 -0.288 72.3-108.6 -58.7 149.0 5.5 20.8 3.1 132 132 A P > - 0 0 68 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.320 17.8-127.2 -73.9 157.0 7.2 21.1 6.5 133 133 A T T 3 S+ 0 0 112 1,-0.3 -2,-0.1 59,-0.0 60,-0.0 0.639 109.5 61.2 -83.6 -8.1 10.9 20.3 6.8 134 134 A N T 3 S+ 0 0 137 2,-0.1 2,-0.5 3,-0.0 -1,-0.3 0.398 80.4 103.1 -88.9 6.4 10.3 17.9 9.5 135 135 A L S < S- 0 0 54 -3,-1.3 5,-0.1 1,-0.1 -4,-0.0 -0.794 85.6-108.5 -86.0 126.1 8.1 15.8 7.2 136 136 A H > - 0 0 46 -2,-0.5 4,-3.1 1,-0.1 5,-0.2 -0.182 16.8-124.9 -57.5 142.8 10.1 12.8 6.1 137 137 A P H > S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.826 112.4 53.1 -58.1 -34.2 11.3 12.7 2.6 138 138 A M H > S+ 0 0 3 251,-0.3 4,-2.9 2,-0.2 5,-0.2 0.917 111.8 48.3 -68.5 -35.6 9.7 9.3 1.9 139 139 A S H > S+ 0 0 54 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.893 110.0 50.4 -66.7 -48.2 6.4 10.9 3.2 140 140 A Q H X S+ 0 0 3 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.913 113.5 47.5 -60.7 -35.6 6.9 13.9 1.0 141 141 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.953 110.4 47.6 -70.7 -53.1 7.4 11.6 -1.9 142 142 A S H X S+ 0 0 8 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.888 111.4 51.3 -55.2 -43.3 4.6 9.3 -1.4 143 143 A A H X S+ 0 0 29 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.852 109.4 52.5 -59.8 -42.1 2.0 12.2 -0.9 144 144 A A H X S+ 0 0 0 -4,-1.4 4,-0.9 -5,-0.3 -1,-0.2 0.848 109.9 46.6 -62.4 -39.9 3.3 13.8 -4.1 145 145 A I H >< S+ 0 0 0 -4,-1.9 3,-0.5 2,-0.2 4,-0.2 0.924 112.0 50.5 -77.2 -31.9 2.8 10.7 -6.2 146 146 A T H >< S+ 0 0 61 -4,-2.5 3,-2.6 1,-0.2 4,-0.2 0.989 108.4 52.9 -60.9 -52.4 -0.6 10.2 -4.7 147 147 A A H >< S+ 0 0 23 -4,-2.9 3,-0.8 1,-0.3 -1,-0.2 0.693 99.4 65.7 -53.0 -23.1 -1.4 13.8 -5.6 148 148 A L G X< S+ 0 0 0 -4,-0.9 3,-2.0 -3,-0.5 -1,-0.3 0.493 72.8 90.8 -75.7 -7.3 -0.3 13.1 -9.2 149 149 A N G X + 0 0 55 -3,-2.6 3,-2.6 1,-0.3 -1,-0.2 0.776 66.3 81.2 -67.4 -14.6 -3.1 10.7 -9.8 150 150 A S G < S+ 0 0 82 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.1 0.744 95.8 46.2 -45.9 -37.0 -5.1 13.7 -11.0 151 151 A E G < S+ 0 0 85 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.424 79.6 138.7 -96.8 -4.7 -3.3 13.1 -14.1 152 152 A S <> - 0 0 5 -3,-2.6 4,-0.8 1,-0.2 5,-0.1 -0.191 37.4-162.3 -50.8 127.9 -3.7 9.3 -14.5 153 153 A N H > S+ 0 0 69 17,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.753 94.8 49.6 -79.5 -25.9 -4.5 8.2 -18.1 154 154 A F H > S+ 0 0 2 16,-0.3 4,-3.1 2,-0.2 5,-0.2 0.955 106.1 53.5 -78.1 -44.4 -5.7 4.9 -16.8 155 155 A A H > S+ 0 0 38 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.781 114.0 46.0 -53.5 -35.1 -8.0 6.4 -14.1 156 156 A R H X S+ 0 0 174 -4,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.886 110.9 49.4 -80.0 -46.2 -9.6 8.4 -16.9 157 157 A A H X>S+ 0 0 9 -4,-2.0 5,-1.5 2,-0.2 4,-0.6 0.929 110.7 50.7 -57.6 -50.7 -9.9 5.7 -19.3 158 158 A Y H ><5S+ 0 0 116 -4,-3.1 3,-2.6 2,-0.2 -2,-0.2 0.949 107.3 54.6 -51.8 -49.5 -11.5 3.4 -16.7 159 159 A A H 3<5S+ 0 0 81 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.899 106.2 52.7 -52.9 -42.2 -14.0 6.3 -15.9 160 160 A E H 3<5S- 0 0 148 -4,-2.3 -1,-0.3 1,-0.1 -2,-0.2 0.684 118.8-116.9 -70.1 -14.9 -14.8 6.3 -19.5 161 161 A G T <<5 - 0 0 58 -3,-2.6 -3,-0.2 -4,-0.6 -2,-0.1 0.783 43.0-179.5 86.2 30.0 -15.5 2.5 -19.4 162 162 A I < - 0 0 45 -5,-1.5 -1,-0.1 1,-0.1 2,-0.1 -0.218 39.6 -90.6 -58.6 161.5 -12.9 1.0 -21.8 163 163 A L > - 0 0 107 1,-0.2 3,-2.2 2,-0.1 4,-0.1 -0.386 33.7-117.4 -72.5 138.8 -12.9 -2.6 -22.3 164 164 A R G > S+ 0 0 189 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.672 107.9 71.9 -41.1 -39.4 -10.6 -4.6 -19.8 165 165 A T G 3 S+ 0 0 97 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.743 95.9 47.9 -56.1 -31.9 -8.6 -5.7 -22.7 166 166 A K G X> S+ 0 0 99 -3,-2.2 4,-0.9 1,-0.2 3,-0.5 0.243 78.9 103.0 -91.5 3.4 -7.0 -2.4 -23.3 167 167 A Y H X> S+ 0 0 29 -3,-1.5 4,-2.4 1,-0.2 3,-1.4 0.964 74.8 60.0 -53.0 -51.7 -6.1 -1.7 -19.7 168 168 A W H 3> S+ 0 0 19 -4,-0.4 4,-2.0 243,-0.3 -1,-0.2 0.867 99.0 60.1 -48.6 -30.9 -2.5 -2.6 -20.3 169 169 A E H <> S+ 0 0 52 -3,-0.5 4,-1.0 1,-0.2 -1,-0.3 0.825 109.3 37.9 -65.8 -40.7 -2.3 0.2 -22.8 170 170 A M H X S+ 0 0 15 -4,-1.7 4,-1.7 1,-0.2 3,-0.8 0.770 92.8 84.3 -78.3 -33.6 8.3 12.6 -13.5 182 182 A L H 3X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.3 5,-0.2 0.858 88.0 49.6 -39.3 -57.4 9.9 10.8 -10.5 183 183 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.855 109.3 54.5 -60.4 -28.9 13.3 12.4 -10.7 184 184 A C H <> S+ 0 0 10 -3,-0.8 4,-1.6 -4,-0.5 -2,-0.2 0.924 112.5 42.0 -69.9 -38.3 11.7 15.8 -10.8 185 185 A V H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.841 115.3 50.6 -70.0 -43.0 9.6 15.2 -7.7 186 186 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.939 112.9 45.8 -62.9 -40.8 12.5 13.6 -5.9 187 187 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.805 108.0 55.9 -73.9 -32.8 14.9 16.4 -6.8 188 188 A K H X S+ 0 0 32 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.874 108.0 49.4 -67.5 -34.4 12.4 19.1 -5.8 189 189 A I H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.3 0.955 112.4 48.4 -66.2 -43.4 12.2 17.5 -2.5 190 190 A Y H X>S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.5 0.931 113.3 45.7 -58.3 -54.3 16.0 17.4 -2.2 191 191 A R H X5S+ 0 0 44 -4,-2.8 4,-2.5 1,-0.2 7,-0.2 0.956 113.9 50.2 -57.5 -48.0 16.4 21.0 -3.2 192 192 A N H <5S+ 0 0 50 -4,-2.5 -1,-0.2 1,-0.2 4,-0.2 0.859 118.3 35.5 -60.6 -47.3 13.6 22.2 -0.9 193 193 A L H <5S+ 0 0 33 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.850 135.9 18.1 -74.7 -44.3 14.8 20.4 2.2 194 194 A Y H <5S+ 0 0 65 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.557 129.0 40.3-107.4 -19.6 18.6 20.7 1.7 195 195 A R S >< - 0 0 58 -2,-0.3 3,-1.9 4,-0.1 8,-0.1 -0.992 1.2-151.3-107.3 117.0 17.7 18.2 -21.2 205 205 A S T 3 S+ 0 0 71 -2,-0.6 -90,-0.1 1,-0.3 -89,-0.1 0.572 91.1 66.8 -63.9 -14.9 16.4 15.9 -23.7 206 206 A K T 3 S+ 0 0 176 -91,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.652 89.9 74.4 -89.1 -6.1 19.8 15.1 -24.7 207 207 A L S < S- 0 0 37 -3,-1.9 2,-0.1 -96,-0.1 -3,-0.0 -0.614 84.7-103.9-101.7 166.8 20.9 13.4 -21.5 208 208 A D > - 0 0 20 -2,-0.2 4,-2.0 1,-0.1 3,-0.3 -0.330 40.3-104.3 -76.8 152.5 20.1 10.1 -20.0 209 209 A W H > S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.867 118.3 53.5 -45.9 -43.6 17.6 9.9 -17.1 210 210 A S H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.896 109.8 46.8 -61.8 -45.3 20.4 9.4 -14.4 211 211 A H H > S+ 0 0 49 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.809 110.2 51.4 -65.0 -41.2 22.4 12.5 -15.5 212 212 A N H X S+ 0 0 5 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.913 111.9 50.2 -63.2 -41.1 19.3 14.7 -15.7 213 213 A F H X S+ 0 0 1 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.921 110.2 46.9 -60.7 -52.0 18.6 13.5 -12.2 214 214 A T H X>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 4,-1.4 0.872 112.3 53.6 -63.9 -28.7 22.1 14.2 -10.9 215 215 A N H <5S+ 0 0 72 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.934 109.2 45.5 -65.0 -50.7 21.8 17.6 -12.6 216 216 A M H <5S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.825 112.0 53.5 -64.8 -29.3 18.6 18.4 -10.8 217 217 A L H <5S- 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.749 116.3-119.2 -72.6 -28.1 20.1 17.2 -7.6 218 218 A G T <5 + 0 0 44 -4,-1.4 2,-0.5 1,-0.3 -3,-0.2 0.620 62.8 141.1 103.4 10.8 23.0 19.6 -8.1 219 219 A Y < + 0 0 27 -5,-2.4 -1,-0.3 1,-0.1 -2,-0.1 -0.747 23.5 176.5 -92.6 140.7 25.8 17.2 -8.3 220 220 A T + 0 0 134 -2,-0.5 -1,-0.1 4,-0.0 2,-0.1 0.722 38.9 116.4-109.0 -27.7 28.6 17.7 -10.8 221 221 A D >> - 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