==== 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 LYASE 14-MAR-00 1ELQ . COMPND 2 MOLECULE: L-CYSTEINE/L-CYSTINE C-S LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR T.CLAUSEN,J.T.KAISER,C.STEEGBORN,R.HUBER,D.KESSLER . 762 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26492.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 528 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 41 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 253 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 0 1 0 1 0 4 4 0 0 2 0 1 3 0 0 0 3 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 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 PARALLEL BRIDGES PER LADDER . 2 1 5 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 13 A Q 0 0 131 0, 0.0 20,-2.4 0, 0.0 21,-0.3 0.000 360.0 360.0 360.0 -25.3 -52.5 -18.3 -1.6 2 14 A F > + 0 0 17 18,-0.2 3,-1.9 1,-0.1 4,-0.4 -0.665 360.0 172.8-125.0 75.3 -55.3 -16.2 -3.2 3 15 A P G > S+ 0 0 54 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.769 70.4 73.7 -53.3 -29.4 -56.6 -13.9 -0.4 4 16 A G G 3 S+ 0 0 1 15,-0.4 6,-0.0 1,-0.2 -2,-0.0 0.725 84.0 68.4 -61.1 -22.0 -58.9 -12.1 -2.9 5 17 A L G X S+ 0 0 27 -3,-1.9 3,-1.2 2,-0.1 5,-0.2 0.852 80.3 86.7 -67.1 -36.5 -61.2 -15.1 -3.0 6 18 A A T < S+ 0 0 63 -3,-1.0 3,-0.1 -4,-0.4 0, 0.0 -0.395 93.1 20.3 -70.2 142.2 -62.5 -14.7 0.5 7 19 A N T 3 S+ 0 0 144 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.666 119.0 62.2 76.5 15.5 -65.5 -12.4 1.1 8 20 A K S < S- 0 0 15 -3,-1.2 2,-0.5 2,-0.0 -1,-0.2 -0.936 76.6-127.3-156.5 167.8 -66.6 -12.4 -2.5 9 21 A T E -a 345 0A 16 335,-2.7 337,-2.2 -2,-0.3 2,-0.4 -0.825 37.6-165.1-123.9 87.3 -67.9 -15.0 -5.0 10 22 A Y E +a 346 0A 0 -2,-0.5 337,-0.1 -5,-0.2 3,-0.1 -0.635 33.4 152.2 -89.2 126.7 -65.5 -14.5 -8.0 11 23 A F + 0 0 0 335,-1.7 348,-2.0 -2,-0.4 3,-0.3 -0.018 51.9 96.6-134.1 27.7 -66.2 -15.9 -11.5 12 24 A N >> + 0 0 1 1,-0.2 4,-2.4 346,-0.2 3,-2.2 0.013 34.0 122.8-110.9 29.9 -64.3 -13.2 -13.5 13 25 A F T 34 S+ 0 0 1 346,-0.4 201,-0.2 1,-0.3 -1,-0.2 0.774 73.6 60.5 -60.2 -27.9 -60.9 -14.9 -14.0 14 26 A G T 34 S+ 0 0 2 -3,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.542 109.8 42.6 -76.1 -11.2 -61.4 -14.5 -17.8 15 27 A G T <4 S- 0 0 3 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.804 142.5 -28.4 -94.0 -56.7 -61.5 -10.7 -17.2 16 28 A Q < - 0 0 14 -4,-2.4 406,-0.4 406,-0.2 -1,-0.3 -0.922 68.0-121.7-160.3 136.5 -58.7 -10.6 -14.7 17 29 A G - 0 0 0 193,-2.5 2,-0.4 -2,-0.3 195,-0.1 -0.422 34.3 -97.9 -81.2 156.6 -57.4 -13.3 -12.3 18 30 A I - 0 0 3 -2,-0.1 -1,-0.1 1,-0.1 399,-0.1 -0.580 44.5-119.8 -70.6 128.6 -57.2 -12.9 -8.6 19 31 A L - 0 0 29 -2,-0.4 -15,-0.4 394,-0.1 196,-0.1 -0.569 24.8-131.0 -75.9 122.3 -53.6 -12.0 -7.8 20 32 A P >> - 0 0 0 0, 0.0 4,-1.6 0, 0.0 3,-0.9 -0.354 19.2-114.8 -71.1 154.1 -51.9 -14.5 -5.5 21 33 A T H 3> S+ 0 0 61 -20,-2.4 4,-2.8 1,-0.3 5,-0.2 0.913 114.3 58.7 -54.1 -45.9 -49.9 -13.3 -2.4 22 34 A V H 3> S+ 0 0 27 -21,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.827 104.8 51.9 -55.9 -30.1 -46.6 -14.5 -3.8 23 35 A A H <> S+ 0 0 0 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.939 109.7 46.5 -74.7 -43.9 -47.1 -12.3 -6.8 24 36 A L H X S+ 0 0 47 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.900 111.6 53.5 -64.2 -36.9 -47.8 -9.1 -4.7 25 37 A E H X S+ 0 0 119 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.897 109.5 47.7 -63.4 -38.9 -44.8 -10.0 -2.5 26 38 A A H X S+ 0 0 24 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.884 111.8 50.3 -68.7 -38.7 -42.5 -10.2 -5.7 27 39 A I H X S+ 0 0 2 -4,-2.1 4,-1.8 2,-0.2 3,-0.3 0.984 114.5 43.3 -61.0 -56.5 -43.9 -6.9 -7.0 28 40 A T H X S+ 0 0 70 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.904 111.9 53.9 -55.8 -45.9 -43.2 -5.2 -3.6 29 41 A A H X S+ 0 0 63 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.872 105.6 54.4 -59.2 -36.2 -39.8 -6.8 -3.3 30 42 A M H X S+ 0 0 13 -4,-1.9 4,-2.2 -3,-0.3 -1,-0.2 0.899 106.7 49.4 -68.0 -40.7 -38.8 -5.5 -6.7 31 43 A Y H X S+ 0 0 18 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.933 112.4 50.7 -61.1 -41.7 -39.6 -1.9 -5.8 32 44 A G H X S+ 0 0 37 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.893 108.2 50.1 -60.5 -44.1 -37.6 -2.4 -2.7 33 45 A Y H X S+ 0 0 68 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.901 112.5 47.9 -63.4 -40.8 -34.6 -3.7 -4.5 34 46 A L H X S+ 0 0 7 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.883 112.7 49.2 -67.1 -38.5 -34.7 -0.8 -6.9 35 47 A Q H < S+ 0 0 73 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.958 116.1 42.5 -64.3 -48.5 -35.0 1.6 -4.0 36 48 A E H < S+ 0 0 100 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.886 129.1 23.4 -65.0 -41.1 -32.1 0.0 -2.2 37 49 A N H < S- 0 0 33 -4,-2.5 7,-0.6 -5,-0.2 6,-0.2 0.388 123.8 -58.6-112.6 0.6 -29.7 -0.4 -5.1 38 50 A G < - 0 0 0 -4,-1.8 356,-0.1 -5,-0.2 -4,-0.1 -0.328 16.0-141.8-155.0-114.0 -30.7 2.1 -7.8 39 51 A P S S+ 0 0 6 0, 0.0 2,-0.6 0, 0.0 360,-0.1 -0.974 109.6 21.1 -68.2 -18.6 -33.2 2.5 -9.3 40 52 A F S S+ 0 0 36 358,-0.3 2,-0.3 -6,-0.1 358,-0.2 -0.956 95.9 106.1-116.7 114.7 -30.8 3.2 -12.2 41 53 A S S > S- 0 0 4 -2,-0.6 4,-2.9 1,-0.1 5,-0.2 -0.952 80.9 -90.6-172.2 172.4 -27.4 1.6 -11.6 42 54 A I H > S+ 0 0 81 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.931 126.4 45.4 -65.0 -46.9 -25.2 -1.2 -12.7 43 55 A A H > S+ 0 0 25 -6,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.951 117.3 42.9 -63.2 -50.3 -26.6 -3.5 -10.0 44 56 A A H > S+ 0 0 0 -7,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.927 113.5 51.3 -62.4 -45.2 -30.2 -2.5 -10.6 45 57 A N H X S+ 0 0 49 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.911 112.8 46.6 -61.3 -39.4 -29.9 -2.7 -14.4 46 58 A Q H X S+ 0 0 107 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.889 109.4 53.7 -68.4 -38.7 -28.3 -6.2 -14.1 47 59 A H H X S+ 0 0 47 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.892 110.3 48.4 -62.8 -38.9 -31.0 -7.3 -11.6 48 60 A I H X S+ 0 0 10 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.917 110.5 49.7 -69.0 -43.2 -33.7 -6.2 -14.1 49 61 A Q H X S+ 0 0 138 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.905 111.3 49.8 -61.8 -41.3 -32.0 -8.0 -17.0 50 62 A Q H X S+ 0 0 93 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.921 110.9 50.0 -62.6 -41.8 -31.8 -11.1 -14.9 51 63 A L H X S+ 0 0 11 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.947 108.8 51.0 -61.3 -47.5 -35.5 -10.8 -14.0 52 64 A I H X S+ 0 0 19 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.924 111.1 49.1 -58.0 -44.7 -36.5 -10.4 -17.7 53 65 A A H X S+ 0 0 53 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.865 110.5 50.5 -61.2 -40.5 -34.5 -13.6 -18.6 54 66 A Q H X S+ 0 0 108 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.893 112.7 45.5 -65.6 -42.0 -36.1 -15.6 -15.8 55 67 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.933 112.6 51.1 -68.0 -42.6 -39.6 -14.5 -16.8 56 68 A R H X S+ 0 0 14 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.891 112.6 47.1 -61.0 -39.0 -38.8 -15.2 -20.5 57 69 A Q H X S+ 0 0 76 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.867 109.6 52.0 -70.8 -39.6 -37.5 -18.7 -19.6 58 70 A A H X S+ 0 0 10 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.875 111.8 47.3 -66.8 -35.3 -40.5 -19.5 -17.4 59 71 A L H X S+ 0 0 1 -4,-2.3 4,-1.7 2,-0.2 3,-0.2 0.949 109.7 53.7 -68.9 -45.7 -42.9 -18.6 -20.2 60 72 A A H <>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.3 3,-0.3 0.910 111.3 45.5 -52.9 -46.0 -40.8 -20.7 -22.6 61 73 A E H <5S+ 0 0 114 -4,-2.3 3,-0.5 3,-0.2 -1,-0.3 0.798 104.0 62.8 -68.5 -31.2 -41.1 -23.7 -20.3 62 74 A T H <5S+ 0 0 40 -4,-1.5 133,-0.3 1,-0.2 -1,-0.2 0.891 116.6 30.3 -60.6 -38.8 -44.8 -23.1 -19.8 63 75 A F T <5S- 0 0 2 -4,-1.7 134,-2.5 -3,-0.3 -1,-0.2 0.281 111.4-119.1-103.2 5.1 -45.3 -23.7 -23.5 64 76 A N T 5S+ 0 0 88 -3,-0.5 2,-0.3 -4,-0.3 -3,-0.2 0.926 71.8 119.2 55.8 52.8 -42.4 -26.1 -23.9 65 77 A V S - 0 0 96 -2,-0.3 3,-2.2 1,-0.1 4,-0.1 -0.618 36.9-123.9 -81.6 140.9 -37.2 -22.3 -26.7 67 79 A P G > S+ 0 0 29 0, 0.0 3,-1.8 0, 0.0 190,-0.3 0.724 106.5 72.3 -52.2 -30.3 -36.9 -18.8 -25.0 68 80 A N G 3 S+ 0 0 63 1,-0.3 189,-1.4 188,-0.1 190,-0.1 0.706 91.2 57.8 -62.6 -20.4 -35.9 -17.3 -28.3 69 81 A T G < S+ 0 0 22 -3,-2.2 155,-2.1 187,-0.2 2,-0.5 0.450 92.0 91.6 -89.2 1.5 -39.5 -17.7 -29.6 70 82 A I E < -B 223 0B 0 -3,-1.8 2,-0.4 153,-0.2 187,-0.2 -0.846 50.3-174.4-107.7 127.7 -40.9 -15.6 -26.7 71 83 A T E -B 222 0B 0 151,-2.5 151,-2.7 -2,-0.5 2,-0.5 -0.942 21.2-137.8-112.1 135.6 -41.5 -11.9 -26.7 72 84 A I E +B 221 0B 6 -2,-0.4 149,-0.3 149,-0.2 2,-0.2 -0.824 33.7 162.8 -94.5 133.6 -42.6 -10.2 -23.4 73 85 A T E -B 220 0B 8 147,-2.1 147,-2.3 -2,-0.5 3,-0.1 -0.541 47.8-106.4-128.8-164.6 -45.4 -7.6 -23.9 74 86 A D S S- 0 0 19 145,-0.3 144,-0.5 1,-0.2 2,-0.3 0.588 89.3 -14.0-105.2 -13.1 -47.9 -5.9 -21.6 75 87 A N S > S- 0 0 4 143,-0.2 4,-1.0 132,-0.1 -1,-0.2 -0.976 76.7 -82.2-172.9 176.0 -51.1 -7.7 -22.8 76 88 A V H >> S+ 0 0 9 -2,-0.3 4,-1.3 1,-0.2 3,-0.8 0.948 117.7 57.8 -60.9 -49.0 -52.7 -10.0 -25.4 77 89 A T H 3> S+ 0 0 6 1,-0.3 4,-2.5 2,-0.2 3,-0.4 0.860 98.3 57.4 -52.2 -46.9 -53.4 -7.2 -27.9 78 90 A T H 3> S+ 0 0 24 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.872 103.6 55.4 -56.0 -37.0 -49.8 -6.0 -28.2 79 91 A G H - 0 0 82 27,-0.0 3,-2.4 1,-0.0 26,-0.1 -0.967 38.4 -84.7-131.0 147.6 -49.8 -6.3 -50.3 91 103 A Q T 3 S+ 0 0 168 -2,-0.3 27,-0.3 1,-0.3 26,-0.2 -0.177 117.0 28.0 -49.1 133.8 -53.0 -4.8 -51.6 92 104 A G T 3 S+ 0 0 40 25,-2.5 -1,-0.3 1,-0.4 26,-0.2 0.180 83.8 135.4 98.4 -19.9 -55.5 -7.6 -52.1 93 105 A D < - 0 0 4 -3,-2.4 26,-2.9 23,-0.2 2,-0.4 -0.329 46.2-140.9 -59.8 145.4 -54.1 -9.9 -49.4 94 106 A E E -cd 119 146B 27 51,-3.2 53,-3.1 24,-0.2 54,-1.4 -0.897 16.1-162.3-120.4 145.7 -57.0 -11.3 -47.3 95 107 A I E -cd 120 148B 0 24,-2.6 26,-2.1 -2,-0.4 2,-0.4 -0.974 8.1-156.8-119.8 131.3 -57.4 -11.9 -43.6 96 108 A L E +cd 121 149B 0 52,-2.3 54,-3.0 -2,-0.4 2,-0.3 -0.911 14.7 178.7-107.2 135.6 -60.1 -14.3 -42.2 97 109 A L E -cd 122 150B 0 24,-1.8 26,-1.8 -2,-0.4 54,-0.2 -0.961 29.9-110.9-130.5 152.5 -61.3 -13.8 -38.6 98 110 A T E > -c 123 0B 0 52,-1.2 3,-0.8 -2,-0.3 52,-0.0 -0.275 28.2-114.0 -75.7 168.0 -64.0 -15.7 -36.7 99 111 A D T 3 S+ 0 0 62 24,-1.3 -1,-0.1 1,-0.2 23,-0.1 0.244 111.6 65.2 -86.8 15.4 -67.2 -14.0 -35.7 100 112 A C T 3 S+ 0 0 2 2,-0.1 56,-0.4 52,-0.0 57,-0.3 0.087 73.8 126.4-121.8 24.4 -66.1 -14.4 -32.1 101 113 A E < - 0 0 10 -3,-0.8 -4,-0.0 1,-0.1 54,-0.0 -0.435 67.5 -92.8 -87.9 160.4 -63.0 -12.2 -32.0 102 114 A H >> - 0 0 26 1,-0.1 4,-1.7 -2,-0.1 3,-0.8 -0.391 29.3-127.1 -68.3 137.6 -62.2 -9.4 -29.6 103 115 A P H 3> S+ 0 0 13 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.822 109.4 58.0 -56.0 -32.6 -63.3 -6.0 -30.8 104 116 A G H 3> S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 515,-0.1 0.855 106.1 48.4 -66.3 -33.6 -59.7 -4.6 -30.1 105 117 A I H <> S+ 0 0 0 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.830 108.7 52.8 -75.5 -31.5 -58.3 -7.2 -32.5 106 118 A I H X S+ 0 0 23 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.896 104.9 58.7 -68.3 -38.9 -60.8 -6.4 -35.2 107 119 A A H X S+ 0 0 2 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.893 104.6 48.1 -58.5 -41.0 -59.7 -2.8 -34.7 108 120 A I H X S+ 0 0 0 -4,-1.3 4,-2.8 2,-0.2 3,-0.3 0.956 109.7 53.5 -64.1 -48.6 -56.1 -3.7 -35.6 109 121 A V H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.884 108.7 48.6 -51.5 -42.5 -57.3 -5.6 -38.7 110 122 A Q H X S+ 0 0 73 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.839 110.6 50.9 -69.6 -34.4 -59.3 -2.5 -39.9 111 123 A A H X S+ 0 0 11 -4,-1.6 4,-2.0 -3,-0.3 -2,-0.2 0.908 113.2 45.9 -68.7 -39.9 -56.2 -0.3 -39.4 112 124 A I H X S+ 0 0 0 -4,-2.8 4,-3.3 2,-0.2 6,-0.5 0.938 110.7 52.3 -66.4 -45.5 -54.1 -2.7 -41.4 113 125 A A H X S+ 0 0 18 -4,-2.9 4,-1.7 1,-0.2 5,-0.5 0.954 113.2 46.0 -53.6 -49.9 -56.8 -3.0 -44.1 114 126 A A H < S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.821 118.2 42.2 -61.8 -34.7 -56.7 0.8 -44.3 115 127 A R H < S+ 0 0 56 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.884 127.8 23.8 -83.3 -41.6 -52.9 1.0 -44.3 116 128 A F H < S- 0 0 41 -4,-3.3 -23,-0.2 -5,-0.2 -3,-0.2 0.436 100.4-116.1-106.3 -1.0 -51.9 -1.8 -46.7 117 129 A G < + 0 0 35 -4,-1.7 -25,-2.5 -5,-0.5 -4,-0.2 0.866 64.1 146.5 70.6 31.4 -55.0 -2.2 -48.8 118 130 A I - 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0 0 80 1,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.958 17.4-156.0-143.0 116.3 -67.2 -28.0 -37.4 134 146 A A H > S+ 0 0 2 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.853 98.3 53.9 -61.9 -35.1 -65.3 -24.8 -37.1 135 147 A A H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.941 108.6 49.3 -65.0 -43.1 -62.4 -26.2 -39.3 136 148 A A H > S+ 0 0 53 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.901 108.4 53.4 -61.6 -40.9 -64.9 -27.1 -42.0 137 149 A V H < S+ 0 0 31 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.935 109.4 48.8 -59.8 -44.6 -66.4 -23.6 -41.9 138 150 A L H >X S+ 0 0 0 -4,-2.1 3,-2.2 1,-0.2 4,-1.6 0.936 106.3 57.1 -61.7 -42.7 -63.0 -22.2 -42.3 139 151 A A H 3< S+ 0 0 53 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.893 103.7 53.5 -53.8 -39.2 -62.4 -24.6 -45.3 140 152 A N T 3< S+ 0 0 135 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.447 113.6 43.7 -76.6 -1.3 -65.5 -23.1 -47.0 141 153 A H T <4 S+ 0 0 29 -3,-2.2 -1,-0.2 -4,-0.3 -2,-0.2 0.527 81.5 112.6-118.2 -15.4 -64.1 -19.5 -46.6 142 154 A L < + 0 0 27 -4,-1.6 29,-0.0 -3,-0.3 -3,-0.0 -0.358 46.7 179.4 -61.5 138.4 -60.5 -20.0 -47.6 143 155 A G > - 0 0 13 -49,-0.1 3,-0.7 31,-0.0 34,-0.1 -0.644 43.0 -87.3-130.2-173.8 -59.7 -18.2 -50.9 144 156 A P T 3 S+ 0 0 96 0, 0.0 33,-2.5 0, 0.0 34,-0.3 0.818 124.7 39.2 -67.4 -33.7 -56.9 -17.4 -53.4 145 157 A K T 3 S+ 0 0 27 31,-0.1 -51,-3.2 32,-0.1 2,-0.4 0.277 80.8 130.2-103.4 11.2 -55.7 -14.4 -51.5 146 158 A T E < +d 94 0B 1 -3,-0.7 32,-0.4 -53,-0.2 -51,-0.2 -0.531 19.1 158.9 -70.0 120.7 -56.1 -15.7 -47.9 147 159 A R E + 0 0 33 -53,-3.1 34,-2.4 -2,-0.4 2,-0.3 0.762 59.0 21.6-112.2 -37.0 -52.8 -15.0 -46.1 148 160 A L E -de 95 181B 1 -54,-1.4 -52,-2.3 32,-0.2 2,-0.4 -0.985 54.9-159.2-138.8 144.4 -53.7 -15.0 -42.4 149 161 A V E -de 96 182B 0 32,-2.2 34,-2.4 -2,-0.3 2,-0.5 -0.988 12.1-158.5-121.8 129.9 -56.5 -16.5 -40.3 150 162 A I E +de 97 183B 0 -54,-3.0 -52,-1.2 -2,-0.4 2,-0.3 -0.943 22.9 155.6-112.1 127.9 -57.1 -15.0 -36.8 151 163 A L E - e 0 184B 0 32,-2.0 34,-2.4 -2,-0.5 2,-0.5 -0.997 41.1-121.0-149.6 151.5 -58.9 -17.0 -34.2 152 164 A S E - e 0 185B 5 -2,-0.3 10,-0.4 32,-0.2 34,-0.2 -0.797 18.1-145.1 -91.8 129.2 -59.3 -17.3 -30.4 153 165 A H S S+ 0 0 13 32,-1.3 9,-2.5 -2,-0.5 2,-0.5 0.936 96.8 24.5 -60.3 -42.6 -58.3 -20.7 -29.1 154 166 A L B S-H 161 0C 1 31,-0.5 34,-0.4 7,-0.2 2,-0.3 -0.991 97.6-123.0-122.4 121.9 -60.9 -20.5 -26.4 155 167 A L > - 0 0 0 5,-2.9 4,-1.4 -2,-0.5 -54,-0.1 -0.484 10.0-149.0 -71.1 125.3 -63.8 -18.1 -27.4 156 168 A W T 4 S+ 0 0 42 -56,-0.4 -1,-0.1 -2,-0.3 -55,-0.1 0.677 93.3 41.9 -66.5 -17.4 -64.2 -15.3 -24.8 157 169 A N T 4 S+ 0 0 3 -57,-0.3 -1,-0.2 3,-0.1 193,-0.1 0.888 127.0 20.1 -99.8 -44.6 -68.0 -15.1 -25.5 158 170 A T T 4 S- 0 0 9 2,-0.1 166,-0.5 -58,-0.1 -2,-0.1 0.605 92.9-123.7-101.5 -16.3 -69.3 -18.7 -25.9 159 171 A G < + 0 0 4 -4,-1.4 160,-0.4 1,-0.3 163,-0.2 0.566 56.1 152.6 85.4 6.3 -66.6 -20.6 -24.1 160 172 A Q - 0 0 11 158,-0.1 -5,-2.9 159,-0.1 2,-0.7 -0.475 41.4-142.7 -71.6 138.3 -66.0 -22.9 -27.1 161 173 A V B -H 154 0C 23 -7,-0.2 -7,-0.2 -2,-0.2 -8,-0.1 -0.917 25.4-135.5 -98.9 112.8 -62.5 -24.4 -27.5 162 174 A L - 0 0 2 -9,-2.5 2,-2.0 -2,-0.7 3,-0.2 -0.383 21.4-106.8 -70.0 148.4 -61.8 -24.3 -31.3 163 175 A P > + 0 0 36 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.528 48.2 175.0 -74.7 83.2 -60.3 -27.4 -32.9 164 176 A L H > S+ 0 0 5 -2,-2.0 4,-2.8 2,-0.2 5,-0.2 0.886 70.2 48.8 -61.7 -48.1 -56.9 -25.8 -33.4 165 177 A A H > S+ 0 0 54 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.919 114.9 47.3 -59.0 -44.1 -54.9 -28.7 -34.7 166 178 A E H > S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.906 112.2 49.5 -65.1 -42.1 -57.6 -29.5 -37.2 167 179 A I H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.906 109.8 51.8 -63.0 -41.3 -57.8 -25.8 -38.2 168 180 A M H X S+ 0 0 6 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.958 108.9 50.6 -61.1 -47.0 -54.0 -25.7 -38.6 169 181 A A H X S+ 0 0 39 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.925 109.3 51.6 -55.7 -45.4 -54.2 -28.8 -40.9 170 182 A V H X S+ 0 0 18 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.935 112.7 44.8 -56.8 -47.8 -56.9 -27.1 -43.0 171 183 A C H < S+ 0 0 1 -4,-2.4 9,-0.6 1,-0.2 3,-0.3 0.908 114.0 49.3 -66.3 -39.9 -54.7 -24.0 -43.4 172 184 A R H < S+ 0 0 116 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.806 109.9 51.9 -70.0 -26.3 -51.6 -26.0 -44.2 173 185 A R H < S+ 0 0 159 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.759 88.5 104.2 -80.3 -24.5 -53.4 -28.1 -46.7 174 186 A H < - 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