==== 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 OXO-ACID-LYASE 19-JUN-97 1AMZ . COMPND 2 MOLECULE: CITRATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR K.C.USHER,S.J.REMINGTON . 435 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19975.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 309 71.0 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 . 11 2.5 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 . 12 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 49.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.5 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 0 2 1 2 2 2 1 3 1 1 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 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 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 3 A S 0 0 178 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -48.8 11.3 3.9 -35.6 2 4 A T + 0 0 37 101,-0.1 2,-0.2 4,-0.0 102,-0.0 -0.779 360.0 164.3 -89.3 137.9 11.7 2.5 -32.2 3 5 A N >> - 0 0 61 -2,-0.4 4,-1.5 1,-0.1 3,-0.8 -0.718 24.4-165.5-157.5 102.6 8.5 2.1 -30.2 4 6 A L H 3> S+ 0 0 0 1,-0.3 4,-3.1 -2,-0.2 5,-0.2 0.863 93.0 61.3 -56.6 -38.4 8.3 -0.0 -27.1 5 7 A K H 3> S+ 0 0 49 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.889 104.2 47.5 -58.3 -36.2 4.5 0.1 -27.2 6 8 A D H <> S+ 0 0 106 -3,-0.8 4,-1.0 2,-0.2 -1,-0.2 0.803 110.8 53.4 -71.9 -33.1 4.6 -1.6 -30.7 7 9 A V H >X S+ 0 0 41 -4,-1.5 4,-1.7 1,-0.2 3,-0.6 0.954 109.3 46.7 -68.3 -46.8 7.0 -4.2 -29.3 8 10 A L H 3X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.888 103.6 63.4 -60.8 -39.3 4.7 -5.0 -26.4 9 11 A A H 3< S+ 0 0 50 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.842 109.2 41.4 -56.0 -31.5 1.7 -5.2 -28.8 10 12 A S H X S+ 0 0 30 -4,-1.7 4,-2.4 1,-0.2 3,-0.8 0.897 99.8 67.7 -70.3 -43.3 4.6 -9.9 -27.3 12 14 A I H 3X S+ 0 0 7 -4,-2.7 4,-2.4 1,-0.3 5,-0.2 0.879 97.6 47.5 -48.7 -53.6 1.3 -9.8 -25.3 13 15 A P H 3> S+ 0 0 67 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.819 111.6 51.6 -64.1 -31.3 -0.8 -12.1 -27.3 14 16 A K H < S+ 0 0 87 -4,-3.0 3,-1.9 -5,-0.1 -3,-0.2 0.210 78.5 116.6-124.9 13.6 -1.2 -27.9 -15.1 27 29 A G T 3< S+ 0 0 55 -4,-1.6 -1,-0.1 1,-0.3 -3,-0.1 0.842 87.7 43.4 -53.3 -33.5 -3.6 -25.5 -13.4 28 30 A N T 3 S+ 0 0 141 -5,-0.2 -1,-0.3 -4,-0.2 2,-0.2 0.494 85.7 118.0 -94.8 0.9 -4.4 -28.1 -10.8 29 31 A T < - 0 0 73 -3,-1.9 2,-0.4 1,-0.1 -3,-0.1 -0.443 65.6-127.0 -66.0 133.9 -0.8 -29.2 -10.3 30 32 A A + 0 0 91 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.686 27.1 179.0 -86.9 135.5 0.3 -28.5 -6.7 31 33 A V - 0 0 106 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.381 64.1 -22.9-112.1 -2.5 3.6 -26.6 -6.3 32 34 A G - 0 0 52 14,-0.0 2,-0.3 2,-0.0 -1,-0.3 -0.983 59.2-103.8 173.8 176.2 3.6 -26.6 -2.5 33 35 A Q - 0 0 176 -2,-0.3 2,-0.5 -3,-0.1 14,-0.2 -0.824 22.1-130.4-121.7 161.4 1.9 -26.8 0.8 34 36 A I - 0 0 118 -2,-0.3 2,-0.2 12,-0.1 -2,-0.0 -0.968 25.8-167.8-112.7 125.9 0.9 -24.3 3.4 35 37 A T >> - 0 0 76 -2,-0.5 4,-1.6 1,-0.1 3,-0.6 -0.668 35.4-110.3-108.7 168.6 1.8 -24.9 7.1 36 38 A V H 3> S+ 0 0 70 1,-0.3 4,-1.9 -2,-0.2 3,-0.3 0.922 119.8 53.4 -57.5 -45.4 0.7 -23.3 10.3 37 39 A D H 3> S+ 0 0 133 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.764 103.7 55.5 -62.5 -29.6 4.1 -21.8 10.7 38 40 A M H <4>S+ 0 0 31 -3,-0.6 5,-2.1 2,-0.2 6,-0.5 0.888 108.2 48.8 -71.0 -35.6 4.0 -20.2 7.2 39 41 A S H ><5S+ 0 0 76 -4,-1.6 3,-0.5 -3,-0.3 -2,-0.2 0.847 116.6 41.4 -69.4 -38.5 0.7 -18.4 8.1 40 42 A Y H 3<5S+ 0 0 126 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.710 110.1 63.1 -78.2 -25.3 2.1 -17.1 11.3 41 43 A G T ><5S- 0 0 32 -4,-1.2 3,-1.2 -5,-0.2 -1,-0.2 -0.085 119.1 -96.5 -97.3 34.4 5.4 -16.3 9.7 42 44 A G T < 5S- 0 0 54 -3,-0.5 -3,-0.2 1,-0.3 3,-0.1 0.840 78.3 -61.9 55.9 38.9 4.4 -13.7 7.1 43 45 A M T > -A 61 0A 62 4,-1.6 4,-2.5 -2,-0.5 263,-0.1 -0.850 17.0-138.8 -98.5 128.5 17.6 -17.3 -6.1 58 60 A P T 4 S+ 0 0 51 0, 0.0 264,-3.3 0, 0.0 265,-0.6 0.788 101.7 29.0 -58.2 -28.2 18.3 -17.8 -2.4 59 61 A D T 4 S+ 0 0 89 262,-0.2 262,-0.0 263,-0.1 -2,-0.0 0.794 129.8 35.2 -98.9 -38.9 21.9 -18.7 -3.1 60 62 A E T 4 S- 0 0 134 1,-0.2 2,-0.1 265,-0.0 261,-0.1 0.604 97.0-136.7 -97.4 -13.2 22.7 -16.8 -6.3 61 63 A G E < -A 57 0A 0 -4,-2.5 -4,-1.6 264,-0.1 -1,-0.2 -0.390 49.2 -6.2 88.4-171.5 20.8 -13.6 -5.9 62 64 A I E -A 56 0A 3 -6,-0.2 7,-0.5 -2,-0.1 2,-0.4 -0.275 46.7-166.5 -71.9 144.2 18.7 -11.8 -8.4 63 65 A R E -A 55 0A 86 -8,-1.8 -8,-2.2 5,-0.2 2,-0.8 -0.992 12.8-148.2-126.4 132.7 18.2 -12.4 -12.1 64 66 A F E > S-AB 54 67A 1 3,-2.7 3,-2.3 -2,-0.4 -10,-0.2 -0.916 85.0 -29.3-100.1 107.8 16.6 -9.9 -14.3 65 67 A R T 3 S- 0 0 63 -12,-1.5 -1,-0.2 -2,-0.8 -11,-0.1 0.892 131.9 -42.2 49.0 43.2 14.7 -11.8 -17.0 66 68 A G T 3 S+ 0 0 50 1,-0.2 2,-0.5 -3,-0.2 -1,-0.3 0.423 117.5 110.5 90.0 -7.7 17.3 -14.5 -16.6 67 69 A F B < -B 64 0A 52 -3,-2.3 -3,-2.7 4,-0.0 -1,-0.2 -0.882 56.5-139.2-109.7 139.2 20.5 -12.3 -16.3 68 70 A S > - 0 0 19 -2,-0.5 4,-2.8 -5,-0.2 5,-0.2 -0.274 33.3-100.0 -79.9 170.0 22.6 -11.8 -13.3 69 71 A I H > S+ 0 0 9 -7,-0.5 4,-3.2 1,-0.2 5,-0.3 0.934 122.5 52.1 -55.9 -47.1 24.0 -8.5 -12.3 70 72 A P H > S+ 0 0 84 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.901 110.6 50.7 -60.5 -36.2 27.5 -9.2 -13.8 71 73 A E H > S+ 0 0 75 2,-0.2 4,-3.8 1,-0.2 5,-0.3 0.919 110.4 47.6 -64.9 -48.7 25.8 -10.2 -17.0 72 74 A C H X S+ 0 0 3 -4,-2.8 4,-3.4 2,-0.2 -1,-0.2 0.945 108.7 54.3 -57.3 -47.1 23.8 -7.0 -17.1 73 75 A Q H < S+ 0 0 39 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.938 116.4 40.6 -51.4 -42.0 26.9 -5.0 -16.4 74 76 A K H < S+ 0 0 162 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.931 124.0 34.0 -73.8 -45.9 28.4 -6.6 -19.2 75 77 A L H < S+ 0 0 76 -4,-3.8 -3,-0.2 -5,-0.1 -2,-0.2 0.760 93.1 92.2 -85.2 -31.8 25.5 -6.6 -21.7 76 78 A L S < S- 0 0 0 -4,-3.4 25,-0.1 -5,-0.3 23,-0.0 -0.435 83.4-100.4 -72.7 147.2 23.6 -3.5 -21.1 77 79 A P - 0 0 17 0, 0.0 9,-2.2 0, 0.0 2,-0.2 -0.279 40.1-152.6 -60.4 143.8 24.4 -0.3 -23.0 78 80 A K B -C 85 0B 75 7,-0.2 3,-0.1 1,-0.1 2,-0.0 -0.654 23.8 -88.2-113.0 170.1 26.5 2.3 -21.2 79 81 A A > - 0 0 16 5,-0.7 3,-3.1 -2,-0.2 2,-0.5 -0.335 62.0 -80.3 -69.9 160.4 26.9 6.0 -21.4 80 82 A G T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -2,-0.0 3,-0.1 -0.478 124.9 4.4 -64.4 116.8 29.4 7.4 -23.9 81 83 A G T 3 S+ 0 0 93 -2,-0.5 -1,-0.3 1,-0.3 2,-0.1 0.534 112.9 131.3 83.9 6.2 32.6 7.0 -22.1 82 84 A G < - 0 0 23 -3,-3.1 -1,-0.3 1,-0.1 -4,-0.1 -0.398 47.4-167.5 -90.3 166.6 30.7 5.3 -19.3 83 85 A E + 0 0 119 -2,-0.1 -1,-0.1 -3,-0.1 -2,-0.0 0.577 66.3 77.6-122.3 -25.0 31.3 2.1 -17.5 84 86 A E S S- 0 0 5 1,-0.1 -5,-0.7 -10,-0.0 -2,-0.1 -0.669 86.5-102.2 -95.4 147.0 28.0 1.5 -15.6 85 87 A P B -C 78 0B 3 0, 0.0 -7,-0.2 0, 0.0 146,-0.2 -0.301 33.4-118.4 -65.1 144.7 24.8 0.3 -17.2 86 88 A L >> - 0 0 12 -9,-2.2 4,-1.3 1,-0.1 3,-0.9 -0.694 13.3-137.9 -84.6 132.5 22.1 2.8 -18.1 87 89 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.808 101.4 68.5 -60.5 -30.7 18.8 2.1 -16.2 88 90 A E H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.885 101.5 47.1 -50.3 -45.4 16.9 2.9 -19.4 89 91 A G H <> S+ 0 0 0 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.896 107.9 53.6 -67.7 -39.2 18.4 -0.3 -20.8 90 92 A L H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.913 107.5 53.5 -61.7 -39.0 17.5 -2.3 -17.7 91 93 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.953 106.6 51.2 -60.3 -46.3 13.9 -1.1 -18.1 92 94 A W H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 6,-0.5 0.922 110.4 49.9 -55.7 -43.6 13.8 -2.3 -21.7 93 95 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.925 110.3 48.5 -63.9 -45.6 15.0 -5.7 -20.6 94 96 A L H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.904 116.2 43.2 -63.3 -43.6 12.5 -6.1 -17.9 95 97 A V H < S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.899 129.9 21.8 -71.6 -42.9 9.6 -5.1 -20.1 96 98 A T H < S- 0 0 7 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.622 91.8-127.9 -99.1 -22.7 10.5 -7.0 -23.2 97 99 A G S < S+ 0 0 29 -4,-2.6 2,-0.4 -5,-0.5 -4,-0.2 0.536 75.9 105.7 82.9 3.8 12.7 -9.7 -21.9 98 100 A Q S S- 0 0 101 -6,-0.5 -1,-0.3 -5,-0.1 -2,-0.3 -0.926 78.0-108.8-121.3 150.2 15.3 -8.8 -24.5 99 101 A I - 0 0 55 -2,-0.4 2,-0.1 -3,-0.1 -9,-0.1 -0.500 43.4-131.0 -70.1 124.1 18.7 -6.9 -24.4 100 102 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 -11,-0.0 -0.433 7.9-120.6 -81.1 160.5 18.2 -3.6 -26.0 101 103 A T > - 0 0 59 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.447 31.2-110.0 -85.1 164.8 20.4 -1.9 -28.6 102 104 A P H > S+ 0 0 78 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.853 121.8 57.5 -66.2 -28.6 21.9 1.4 -27.8 103 105 A E H > S+ 0 0 124 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.923 106.8 47.5 -67.2 -39.1 19.5 2.9 -30.2 104 106 A Q H > S+ 0 0 43 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.914 110.5 53.9 -66.6 -38.0 16.6 1.5 -28.3 105 107 A V H X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.906 105.4 51.1 -63.0 -45.0 18.2 2.8 -25.1 106 108 A S H X S+ 0 0 55 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.844 104.7 58.2 -64.9 -26.2 18.5 6.3 -26.4 107 109 A W H X S+ 0 0 32 -4,-1.4 4,-2.9 2,-0.2 -1,-0.2 0.935 106.0 48.7 -66.7 -43.1 14.8 6.2 -27.4 108 110 A V H X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.2 5,-0.3 0.944 109.5 53.8 -58.9 -46.5 13.8 5.5 -23.8 109 111 A S H X S+ 0 0 15 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.912 112.1 43.9 -55.9 -43.1 16.0 8.4 -22.7 110 112 A K H X S+ 0 0 74 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.944 111.4 52.5 -68.3 -43.9 14.3 10.7 -25.1 111 113 A E H X S+ 0 0 31 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.890 110.3 48.1 -56.0 -47.7 10.9 9.5 -24.2 112 114 A W H X S+ 0 0 3 -4,-3.0 4,-0.7 1,-0.2 -1,-0.2 0.875 111.3 50.6 -65.5 -34.2 11.5 10.0 -20.5 113 115 A A H >< S+ 0 0 15 -4,-1.8 3,-0.7 -5,-0.3 -2,-0.2 0.923 110.4 51.0 -66.1 -41.7 12.9 13.5 -21.1 114 116 A K H 3< S+ 0 0 120 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.786 111.6 45.4 -63.4 -38.6 9.8 14.4 -23.2 115 117 A R H 3< S+ 0 0 40 -4,-1.6 2,-0.7 -5,-0.2 -1,-0.2 0.503 82.1 114.7 -86.5 -6.9 7.3 13.3 -20.7 116 118 A A << + 0 0 22 -3,-0.7 2,-0.3 -4,-0.7 85,-0.2 -0.553 39.1 126.1 -70.1 107.6 9.0 15.0 -17.7 117 119 A A - 0 0 59 -2,-0.7 62,-0.1 58,-0.2 65,-0.0 -0.948 44.4-142.3-161.6 141.1 6.6 17.7 -16.3 118 120 A L - 0 0 42 -2,-0.3 2,-0.1 64,-0.1 -2,-0.0 -0.910 18.2-127.7-110.2 134.9 5.0 18.6 -13.0 119 121 A P >> - 0 0 22 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.450 26.9-118.0 -73.6 148.4 1.5 20.0 -12.5 120 122 A S H 3> S+ 0 0 96 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.832 110.0 61.3 -61.0 -33.7 1.4 23.2 -10.4 121 123 A H H 3> S+ 0 0 84 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.879 106.6 47.5 -59.9 -35.8 -0.7 21.7 -7.6 122 124 A V H <> S+ 0 0 0 -3,-0.8 4,-2.1 2,-0.2 5,-0.2 0.918 110.2 51.0 -72.9 -39.6 2.1 19.2 -7.0 123 125 A V H X S+ 0 0 42 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.944 110.8 50.9 -58.7 -41.9 4.7 21.9 -7.0 124 126 A T H X S+ 0 0 76 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.903 107.7 50.6 -60.8 -45.3 2.7 23.9 -4.6 125 127 A M H X S+ 0 0 47 -4,-1.8 4,-0.9 2,-0.2 3,-0.3 0.910 112.0 47.7 -61.5 -44.9 2.2 21.0 -2.1 126 128 A L H >< S+ 0 0 2 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.965 109.5 52.6 -64.0 -47.7 6.0 20.3 -2.1 127 129 A D H 3< S+ 0 0 82 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.748 111.8 47.4 -59.3 -24.1 6.9 23.9 -1.6 128 130 A N H 3< S+ 0 0 130 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.562 84.4 111.8 -98.2 -6.9 4.5 24.1 1.4 129 131 A F S << S- 0 0 45 -3,-1.1 2,-0.1 -4,-0.9 -3,-0.0 -0.351 71.3-115.4 -67.0 142.3 5.6 20.9 3.2 130 132 A P > - 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0 0 51 -5,-2.1 -1,-0.2 1,-0.1 2,-0.1 -0.096 34.7-102.6 -50.6 140.4 -12.7 1.2 -21.5 161 163 A N > - 0 0 104 1,-0.1 3,-2.2 3,-0.1 4,-0.3 -0.445 29.8-119.2 -63.4 142.4 -12.9 -2.5 -22.3 162 164 A R G > S+ 0 0 185 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.796 107.8 71.0 -52.9 -34.2 -10.8 -4.6 -19.9 163 165 A T G 3 S+ 0 0 108 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.749 98.0 51.0 -58.2 -21.6 -8.6 -5.9 -22.8 164 166 A K G X> S+ 0 0 66 -3,-2.2 3,-1.2 1,-0.2 4,-1.0 0.425 75.1 103.1 -97.4 1.8 -7.1 -2.4 -23.3 165 167 A Y H X> S+ 0 0 32 -3,-1.8 4,-2.4 -4,-0.3 3,-0.7 0.913 74.4 61.5 -47.9 -49.3 -6.0 -1.7 -19.7 166 168 A W H 3> S+ 0 0 22 -4,-0.3 4,-2.6 245,-0.3 -1,-0.3 0.831 97.0 58.7 -49.1 -36.0 -2.4 -2.5 -20.4 167 169 A E H <> S+ 0 0 54 -3,-1.2 4,-1.3 2,-0.2 -1,-0.2 0.906 110.6 41.0 -64.4 -39.0 -2.2 0.4 -23.0 168 170 A F H S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.883 109.5 51.6 -63.8 -30.7 13.4 12.6 -10.8 182 184 A C H > S+ 0 0 9 -4,-0.5 4,-2.2 -3,-0.3 -2,-0.2 0.931 113.6 44.6 -69.9 -42.0 11.7 16.0 -10.8 183 185 A V H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.971 116.0 45.6 -63.0 -53.2 9.6 15.1 -7.8 184 186 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.886 115.2 47.5 -57.8 -41.8 12.6 13.6 -5.9 185 187 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.869 107.1 55.1 -71.7 -35.4 14.9 16.5 -6.8 186 188 A K H X S+ 0 0 23 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.902 108.7 49.5 -64.2 -38.5 12.4 19.2 -5.8 187 189 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 5,-0.3 0.952 111.0 50.1 -61.4 -48.4 12.2 17.6 -2.4 188 190 A Y H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.916 113.5 45.1 -55.3 -47.8 16.0 17.5 -2.1 189 191 A R H X S+ 0 0 37 -4,-2.5 4,-2.3 1,-0.2 7,-0.3 0.899 112.8 49.5 -65.7 -43.5 16.3 21.2 -3.1 190 192 A N H < S+ 0 0 39 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.873 119.3 38.4 -65.5 -36.4 13.6 22.4 -0.8 191 193 A L H < S+ 0 0 30 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.893 134.8 14.9 -82.6 -42.1 15.0 20.5 2.1 192 194 A Y H < S+ 0 0 66 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.438 130.2 38.7-117.8 -4.9 18.6 21.0 1.7 193 195 A R S >< S- 0 0 88 -4,-2.3 3,-1.9 -5,-0.3 -1,-0.1 -0.248 78.5-169.8-135.9 41.8 19.3 23.7 -0.9 194 196 A A T 3 + 0 0 88 1,-0.2 -4,-0.1 -4,-0.2 3,-0.1 -0.124 69.4 24.6 -43.9 125.1 16.5 26.1 0.2 195 197 A G T 3 S+ 0 0 89 1,-0.4 -1,-0.2 -6,-0.0 2,-0.2 0.150 100.0 103.4 103.5 -12.2 16.1 29.0 -2.4 196 198 A S < - 0 0 46 -3,-1.9 -1,-0.4 -7,-0.3 2,-0.3 -0.483 62.4-129.4 -95.2 169.3 17.5 27.2 -5.4 197 199 A S - 0 0 80 -2,-0.2 3,-0.1 -3,-0.1 -11,-0.0 -0.921 12.6-131.5-121.3 147.0 15.7 25.6 -8.4 198 200 A I - 0 0 31 -2,-0.3 18,-0.1 1,-0.2 2,-0.1 0.749 46.5-153.9 -69.1 -23.8 15.9 22.1 -10.0 199 201 A G - 0 0 45 2,-0.0 2,-0.3 15,-0.0 -1,-0.2 -0.449 26.8 -42.6 83.0-159.1 16.2 23.7 -13.4 200 202 A A - 0 0 93 -2,-0.1 2,-0.2 -3,-0.1 -3,-0.0 -0.818 48.7-105.1-118.8 157.5 15.2 22.0 -16.6 201 203 A I - 0 0 50 -2,-0.3 2,-0.7 -85,-0.2 -2,-0.0 -0.467 24.9-142.8 -75.4 137.4 15.5 18.7 -18.3 202 204 A D > - 0 0 72 -2,-0.2 3,-2.4 4,-0.1 8,-0.1 -0.920 3.7-153.4-104.6 108.8 18.0 18.3 -21.2 203 205 A S T 3 S+ 0 0 66 -2,-0.7 -90,-0.2 1,-0.3 -89,-0.1 0.624 91.1 63.3 -58.7 -11.9 16.4 16.1 -23.8 204 206 A K T 3 S+ 0 0 147 -91,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.497 91.1 78.9 -93.5 -4.5 19.9 15.1 -24.8 205 207 A L S < S- 0 0 37 -3,-2.4 -92,-0.1 -96,-0.1 2,-0.1 -0.688 82.4-103.6-106.6 161.4 20.9 13.4 -21.6 206 208 A D > - 0 0 18 -2,-0.2 4,-2.4 1,-0.1 5,-0.3 -0.317 40.1-105.4 -71.4 158.2 20.3 10.1 -20.0 207 209 A W H > S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.875 119.0 50.8 -56.5 -45.1 17.8 9.9 -17.2 208 210 A S H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.874 110.2 51.4 -60.9 -41.2 20.4 9.5 -14.4 209 211 A H H > S+ 0 0 53 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.892 108.9 47.9 -66.0 -41.5 22.3 12.5 -15.7 210 212 A N H X S+ 0 0 10 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.937 112.5 53.1 -66.3 -36.5 19.3 14.8 -15.8 211 213 A F H X S+ 0 0 1 -4,-2.0 4,-1.6 -5,-0.3 -2,-0.2 0.953 108.6 46.5 -61.9 -48.8 18.6 13.5 -12.3 212 214 A T H X>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 4,-0.9 0.825 110.9 53.4 -66.0 -31.2 22.1 14.3 -10.9 213 215 A N H <5S+ 0 0 73 -4,-1.9 3,-0.3 3,-0.2 -1,-0.2 0.897 108.9 48.5 -67.4 -40.4 22.0 17.8 -12.5 214 216 A M H <5S+ 0 0 4 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.858 110.0 51.8 -68.2 -29.7 18.7 18.5 -10.8 215 217 A L H <5S- 0 0 0 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.636 119.2-119.3 -74.2 -22.0 20.2 17.2 -7.4 216 218 A G T <5 + 0 0 44 -4,-0.9 2,-0.4 1,-0.3 -3,-0.2 0.749 61.9 144.3 91.2 27.1 23.0 19.7 -8.2 217 219 A Y < - 0 0 24 -5,-2.7 -1,-0.3 1,-0.1 -2,-0.1 -0.858 25.9-179.1-104.1 134.0 26.0 17.3 -8.4 218 220 A T + 0 0 135 -2,-0.4 -1,-0.1 -5,-0.0 5,-0.1 0.723 43.7 111.4-100.5 -26.2 28.8 17.9 -10.8 219 221 A D > - 0 0 72 164,-0.2 4,-1.3 1,-0.1 3,-0.4 -0.242 57.7-147.4 -55.5 127.4 31.2 15.0 -10.3 220 222 A P H > S+ 0 0 91 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.807 99.0 55.6 -67.0 -29.7 31.3 12.6 -13.2 221 223 A Q H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.764 101.4 58.0 -74.4 -25.9 31.9 9.6 -11.0 222 224 A F H > S+ 0 0 0 -3,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.866 103.7 52.8 -66.7 -38.3 28.8 10.6 -9.1 223 225 A T H X S+ 0 0 9 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.911 109.6 48.7 -62.3 -43.1 26.8 10.3 -12.3 224 226 A E H X S+ 0 0 10 -4,-1.5 4,-2.1 2,-0.2 5,-0.2 0.899 110.4 50.9 -66.3 -39.3 28.3 6.8 -12.9 225 227 A L H X S+ 0 0 2 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.950 109.3 51.1 -63.3 -45.3 27.4 5.8 -9.3 226 228 A M H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.901 108.0 52.9 -59.3 -40.4 23.8 7.0 -9.9 227 229 A R H X S+ 0 0 21 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.949 114.4 41.0 -58.3 -50.9 23.6 5.0 -13.1 228 230 A L H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.921 114.2 53.1 -64.4 -44.8 24.6 1.8 -11.3 229 231 A Y H X S+ 0 0 4 -4,-3.2 4,-1.6 1,-0.2 -2,-0.2 0.943 111.2 45.2 -57.3 -51.7 22.5 2.6 -8.2 230 232 A L H < S+ 0 0 0 -4,-2.6 4,-0.3 -5,-0.2 -1,-0.2 0.781 113.6 51.3 -67.5 -25.8 19.4 3.1 -10.1 231 233 A T H >< S+ 0 0 2 -4,-1.3 3,-1.1 -5,-0.3 4,-0.2 0.960 113.1 41.8 -74.3 -47.4 20.0 -0.0 -12.2 232 234 A I H 3< S+ 0 0 4 -4,-2.8 3,-0.3 1,-0.2 -2,-0.2 0.693 111.3 53.4 -78.9 -15.9 20.6 -2.4 -9.3 233 235 A H T 3< S+ 0 0 0 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 0.462 84.0 102.3 -92.2 -0.5 17.9 -1.2 -7.0 234 236 A S S < S- 0 0 0 -3,-1.1 168,-1.5 -4,-0.3 169,-0.5 0.740 88.0 -10.4 -54.5 -47.4 15.3 -1.7 -9.8 235 237 A D - 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