==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 24-JUN-04 1TUF . COMPND 2 MOLECULE: DIAMINOPIMELATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR K.RAJASHANKAR,S.R.RAY,J.B.BONANNO,M.G.PINHO,G.HE,H.DE . 868 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31033.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 612 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 8 0.9 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 . 78 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.4 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 5 2 0 0 2 9 1 0 0 2 2 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 4 15 0 2 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 PARALLEL BRIDGES PER LADDER . 5 2 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 1 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 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 15 A F > 0 0 193 0, 0.0 3,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -72.2 43.2 -2.7 22.4 2 16 A L T 3 + 0 0 53 1,-0.3 257,-0.1 255,-0.2 3,-0.0 -0.424 360.0 6.5 -61.5 112.4 46.8 -3.7 21.6 3 17 A G T 3 S+ 0 0 11 -2,-0.4 2,-1.1 1,-0.1 -1,-0.3 0.126 106.1 99.2 100.3 -19.8 48.9 -2.4 24.5 4 18 A N X + 0 0 6 -3,-1.7 3,-0.8 1,-0.2 295,-0.1 -0.674 41.5 161.1-102.6 78.8 45.9 -1.3 26.5 5 19 A D T 3 + 0 0 72 -2,-1.1 -1,-0.2 1,-0.2 294,-0.1 0.587 66.6 53.1 -75.0 -14.7 45.7 -4.3 28.9 6 20 A T T 3 S+ 0 0 18 -3,-0.1 11,-3.0 2,-0.0 12,-0.4 0.282 91.6 85.2-107.3 10.1 43.6 -2.6 31.6 7 21 A V E < +A 16 0A 23 -3,-0.8 2,-0.3 9,-0.2 9,-0.2 -0.802 48.3 162.3-112.1 155.4 40.7 -1.3 29.5 8 22 A E E -A 15 0A 91 7,-2.0 7,-2.6 -2,-0.3 2,-0.4 -0.899 37.5-112.5-154.9-178.0 37.5 -3.0 28.5 9 23 A I E -A 14 0A 106 -2,-0.3 2,-0.7 5,-0.2 3,-0.3 -0.863 28.8-175.4-130.7 94.8 33.9 -2.6 27.2 10 24 A K S S- 0 0 80 3,-1.5 3,-0.1 -2,-0.4 -2,-0.0 -0.831 71.7 -25.0 -96.1 117.3 31.2 -3.6 29.6 11 25 A D S S- 0 0 155 -2,-0.7 -1,-0.2 1,-0.2 333,-0.1 0.929 128.4 -42.7 49.4 58.9 27.7 -3.4 28.2 12 26 A G S S+ 0 0 20 -3,-0.3 332,-1.5 1,-0.2 2,-0.3 0.843 117.9 103.9 59.4 38.0 28.4 -0.8 25.6 13 27 A R B S-C 343 0B 62 330,-0.2 -3,-1.5 -3,-0.1 2,-0.2 -0.986 70.2-115.5-150.5 140.0 30.5 1.4 27.7 14 28 A F E -A 9 0A 15 328,-2.0 7,-2.4 -2,-0.3 8,-0.5 -0.525 31.7-169.2 -78.1 138.0 34.3 2.1 28.0 15 29 A F E -AB 8 20A 25 -7,-2.6 -7,-2.0 5,-0.2 2,-0.5 -0.981 15.0-162.5-131.1 141.7 36.1 1.1 31.2 16 30 A I E > S-AB 7 19A 0 3,-2.5 3,-2.2 -2,-0.4 -9,-0.2 -0.979 86.0 -18.5-122.8 115.5 39.5 1.9 32.5 17 31 A D T 3 S- 0 0 31 -11,-3.0 -1,-0.2 -2,-0.5 -10,-0.1 0.905 130.7 -52.0 54.0 40.6 40.6 -0.4 35.4 18 32 A G T 3 S+ 0 0 32 -12,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.306 113.1 123.5 81.6 -10.5 37.0 -1.3 35.9 19 33 A Y E < -B 16 0A 65 -3,-2.2 -3,-2.5 1,-0.1 2,-0.6 -0.663 68.7-115.6 -89.9 139.0 35.9 2.4 36.1 20 34 A D E > -B 15 0A 14 -2,-0.3 4,-2.1 -5,-0.2 -5,-0.2 -0.618 20.0-154.0 -74.0 114.7 33.3 3.8 33.8 21 35 A A H > S+ 0 0 0 -7,-2.4 4,-2.5 -2,-0.6 5,-0.2 0.892 93.7 53.5 -56.8 -44.3 35.0 6.4 31.6 22 36 A I H > S+ 0 0 30 -8,-0.5 4,-1.6 320,-0.2 -1,-0.2 0.882 110.3 48.0 -60.3 -38.1 31.8 8.3 31.0 23 37 A E H > S+ 0 0 127 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.857 108.6 53.4 -71.4 -34.4 31.2 8.5 34.8 24 38 A L H X S+ 0 0 8 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.940 109.8 48.4 -63.9 -45.7 34.8 9.7 35.4 25 39 A A H X S+ 0 0 7 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.868 112.6 49.0 -60.9 -36.7 34.3 12.5 32.9 26 40 A E H < S+ 0 0 143 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.818 116.3 42.9 -72.7 -31.1 31.0 13.4 34.6 27 41 A K H < S+ 0 0 149 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.2 0.857 127.8 25.4 -84.7 -38.1 32.6 13.3 38.0 28 42 A F H < S- 0 0 24 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.400 104.9-129.1-107.6 0.3 35.9 15.2 37.4 29 43 A G < - 0 0 26 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.1 -0.066 39.5 -36.4 77.0 177.5 34.8 17.2 34.3 30 44 A T S S+ 0 0 32 -4,-0.1 274,-0.1 1,-0.1 2,-0.1 -0.939 104.6 42.7-135.9 156.6 36.6 17.4 31.0 31 45 A P S S+ 0 0 20 0, 0.0 371,-1.0 0, 0.0 2,-0.4 0.538 82.1 174.7 -68.7 150.0 39.0 17.6 29.5 32 46 A L E -De 303 402C 0 271,-2.6 271,-3.9 369,-0.2 2,-0.4 -0.991 28.8-149.0-137.4 132.6 40.4 14.8 31.7 33 47 A Y E -De 302 403C 1 369,-2.6 371,-2.4 -2,-0.4 2,-0.5 -0.805 16.2-164.5 -94.0 134.1 43.6 12.8 31.7 34 48 A V E -De 301 404C 0 267,-3.1 267,-2.3 -2,-0.4 2,-0.4 -0.967 2.5-167.8-125.3 114.1 43.1 9.2 33.1 35 49 A M E -De 300 405C 0 369,-3.0 371,-2.8 -2,-0.5 2,-0.7 -0.873 15.0-139.0-104.0 134.0 46.3 7.3 34.1 36 50 A S E > - e 0 406C 0 263,-2.2 4,-1.7 -2,-0.4 5,-0.2 -0.812 7.8-164.1 -95.1 110.5 46.1 3.6 34.9 37 51 A E H > S+ 0 0 8 369,-2.2 4,-1.6 -2,-0.7 3,-0.2 0.942 91.8 49.6 -56.8 -48.8 48.2 2.5 37.8 38 52 A E H > S+ 0 0 52 368,-0.6 4,-2.9 1,-0.2 -1,-0.2 0.908 105.0 56.1 -57.7 -46.6 48.0 -1.1 36.8 39 53 A Q H > S+ 0 0 0 1,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.896 107.0 51.3 -55.7 -37.6 49.0 -0.5 33.2 40 54 A I H X S+ 0 0 0 -4,-1.7 4,-2.1 -3,-0.2 -1,-0.3 0.887 109.5 49.5 -66.1 -37.6 52.1 1.2 34.5 41 55 A K H X S+ 0 0 61 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.915 112.1 49.6 -65.2 -42.2 52.9 -1.9 36.7 42 56 A I H X S+ 0 0 42 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.951 111.2 46.9 -61.3 -51.9 52.3 -4.1 33.7 43 57 A N H X S+ 0 0 7 -4,-2.9 4,-0.9 252,-0.2 -1,-0.2 0.871 115.8 46.8 -60.3 -37.6 54.6 -2.1 31.4 44 58 A Y H >X S+ 0 0 21 -4,-2.1 4,-1.4 -5,-0.2 3,-0.8 0.945 110.4 50.8 -70.8 -48.1 57.3 -2.0 34.2 45 59 A N H 3X S+ 0 0 87 -4,-3.1 4,-3.5 1,-0.3 3,-0.5 0.903 103.3 59.9 -57.6 -41.2 57.1 -5.7 35.0 46 60 A R H 3X S+ 0 0 96 -4,-2.4 4,-1.4 1,-0.3 -1,-0.3 0.847 105.8 49.0 -55.5 -34.3 57.5 -6.7 31.4 47 61 A Y H X S+ 0 0 40 -4,-1.4 4,-1.4 -3,-0.5 3,-0.6 0.931 114.2 46.8 -78.4 -49.5 61.9 -6.7 34.5 49 63 A E H 3< S+ 0 0 135 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.800 114.5 49.4 -62.6 -31.7 60.7 -10.1 33.6 50 64 A A H 3< S+ 0 0 11 -4,-1.4 -1,-0.2 -5,-0.4 -2,-0.2 0.674 118.1 37.3 -84.5 -17.2 62.3 -9.8 30.1 51 65 A F H X< S+ 0 0 0 -4,-0.6 3,-3.0 -3,-0.6 4,-0.4 0.469 81.4 99.8-112.4 -4.0 65.7 -8.7 31.4 52 66 A K T >< S+ 0 0 107 -4,-1.4 3,-0.8 1,-0.3 -1,-0.1 0.733 72.0 76.2 -53.9 -19.9 66.0 -10.8 34.6 53 67 A R T >> S+ 0 0 67 1,-0.2 4,-1.7 -4,-0.2 3,-0.9 0.764 84.1 63.4 -62.7 -25.3 68.2 -12.9 32.4 54 68 A W H <> S+ 0 0 1 -3,-3.0 6,-0.8 1,-0.3 4,-0.7 0.805 97.2 53.5 -72.0 -30.6 71.0 -10.4 32.7 55 69 A E H <4 S+ 0 0 117 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.1 -0.070 111.7 48.4 -94.5 32.9 71.4 -10.8 36.5 56 70 A E H <4 S+ 0 0 144 -3,-0.9 -2,-0.2 3,-0.0 -1,-0.1 0.515 114.0 37.5-132.2 -49.2 71.8 -14.5 36.0 57 71 A E H < S+ 0 0 86 -4,-1.7 -2,-0.1 1,-0.1 -3,-0.1 0.527 135.8 23.1 -86.8 -5.2 74.3 -14.9 33.2 58 72 A T S < S- 0 0 29 -4,-0.7 -3,-0.2 -5,-0.2 -1,-0.1 0.521 89.3-135.7-131.1 -21.8 76.4 -12.0 34.4 59 73 A G + 0 0 60 -5,-0.3 2,-0.2 1,-0.3 -4,-0.2 0.746 67.8 119.0 67.1 21.9 75.5 -11.6 38.0 60 74 A K - 0 0 49 -6,-0.8 -1,-0.3 225,-0.1 2,-0.2 -0.640 67.3 -91.8-112.3 172.1 75.3 -7.9 37.4 61 75 A E - 0 0 70 -2,-0.2 226,-2.3 -3,-0.1 2,-0.5 -0.578 20.0-153.0 -90.9 148.0 72.4 -5.4 37.8 62 76 A F E -j 287 0D 31 -2,-0.2 2,-0.5 224,-0.2 226,-0.2 -0.979 20.4-167.1-116.2 116.7 69.8 -4.4 35.2 63 77 A I E -j 288 0D 9 224,-2.7 226,-1.9 -2,-0.5 2,-0.8 -0.916 15.4-153.7-115.2 131.3 68.5 -0.9 36.0 64 78 A V E -j 289 0D 3 -2,-0.5 22,-3.0 224,-0.2 2,-1.0 -0.865 10.2-168.9-100.7 103.4 65.4 0.8 34.4 65 79 A A E -n 86 0E 2 224,-2.7 22,-0.3 -2,-0.8 43,-0.1 -0.810 20.7-138.6 -94.4 98.3 65.9 4.6 34.6 66 80 A Y E -n 87 0E 0 20,-1.9 22,-4.2 -2,-1.0 2,-1.3 -0.346 16.6-120.4 -57.8 130.9 62.5 5.9 33.6 67 81 A A E > -n 88 0E 0 224,-2.5 3,-2.4 20,-0.2 4,-0.4 -0.629 23.7-161.5 -78.8 94.6 62.8 8.9 31.3 68 82 A Y G > S+ 0 0 2 20,-1.5 3,-2.1 -2,-1.3 -1,-0.2 0.798 80.7 73.7 -44.4 -40.5 61.0 11.6 33.3 69 83 A X G 3 S+ 0 0 15 19,-0.5 762,-0.3 1,-0.3 -1,-0.3 0.692 87.7 64.6 -54.8 -15.8 60.5 13.9 30.3 70 84 A A G < S- 0 0 0 -3,-2.4 317,-2.9 1,-0.3 318,-0.6 0.823 131.9 -22.4 -76.7 -30.9 57.7 11.5 29.2 71 85 A N < + 0 0 2 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.1 -0.597 59.0 178.2-178.9 112.5 55.6 12.3 32.2 72 86 A A + 0 0 19 -3,-0.2 -3,-0.1 -2,-0.2 -4,-0.1 -0.003 24.5 151.0-115.2 30.2 56.9 13.7 35.5 73 87 A N > - 0 0 6 1,-0.1 4,-2.7 -5,-0.1 3,-0.4 -0.378 52.8-124.3 -60.0 137.2 53.7 14.0 37.5 74 88 A L H > S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.877 109.7 49.4 -51.3 -45.5 54.5 13.6 41.2 75 89 A A H > S+ 0 0 0 339,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.859 114.0 46.4 -63.7 -37.1 52.0 10.8 41.7 76 90 A I H > S+ 0 0 0 -3,-0.4 4,-3.1 2,-0.2 5,-0.3 0.965 114.1 44.5 -70.7 -55.1 53.4 8.9 38.7 77 91 A T H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.859 113.9 54.1 -58.1 -33.4 57.1 9.3 39.5 78 92 A R H X S+ 0 0 55 -4,-1.9 4,-2.6 -5,-0.4 -1,-0.2 0.950 109.4 46.5 -64.1 -49.2 56.1 8.4 43.0 79 93 A L H X S+ 0 0 5 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.932 113.2 47.9 -60.0 -48.7 54.4 5.2 41.9 80 94 A L H <>S+ 0 0 3 -4,-3.1 5,-2.0 1,-0.2 -1,-0.2 0.856 110.2 54.6 -62.6 -32.1 57.3 4.2 39.6 81 95 A A H ><5S+ 0 0 13 -4,-2.0 3,-2.3 -5,-0.3 -2,-0.2 0.949 104.0 53.3 -65.3 -47.9 59.6 5.0 42.6 82 96 A K H 3<5S+ 0 0 128 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.799 101.1 61.2 -57.2 -29.4 57.7 2.6 44.8 83 97 A L T 3<5S- 0 0 51 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.405 121.8-107.4 -79.5 4.1 58.1 -0.2 42.2 84 98 A G T < 5 + 0 0 33 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.2 0.633 69.7 152.7 79.7 15.1 61.9 0.1 42.6 85 99 A C < - 0 0 1 -5,-2.0 -1,-0.2 -6,-0.2 -20,-0.2 -0.336 36.4-134.1 -75.2 157.6 62.2 1.8 39.3 86 100 A G E -n 65 0E 4 -22,-3.0 -20,-1.9 -3,-0.1 2,-0.4 -0.357 17.3-117.6-101.4-172.7 65.1 4.2 38.6 87 101 A A E -no 66 108E 0 20,-2.9 22,-2.1 -22,-0.3 2,-0.8 -0.980 10.4-158.5-140.1 133.9 65.0 7.6 36.9 88 102 A D E -no 67 109E 3 -22,-4.2 -20,-1.5 -2,-0.4 -19,-0.5 -0.888 28.4-174.8-104.2 100.4 66.5 9.2 33.8 89 103 A V E - o 0 110E 0 20,-2.3 22,-2.6 -2,-0.8 3,-0.1 -0.767 20.5-175.7-100.0 145.3 66.4 12.9 34.6 90 104 A V + 0 0 4 -2,-0.3 2,-0.3 20,-0.2 703,-0.1 0.160 64.4 23.5-125.2 17.6 67.4 15.6 32.1 91 105 A S S > S- 0 0 1 1,-0.1 4,-2.4 21,-0.1 3,-0.2 -0.984 85.6 -91.2-169.8 167.7 67.2 18.8 34.2 92 106 A G H > S+ 0 0 0 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.861 123.0 53.8 -56.0 -36.2 67.3 20.4 37.6 93 107 A G H > S+ 0 0 3 739,-0.5 4,-2.3 738,-0.3 -1,-0.2 0.871 108.2 46.2 -68.6 -39.3 63.5 20.0 37.8 94 108 A E H > S+ 0 0 1 737,-0.4 4,-3.0 -3,-0.2 -2,-0.2 0.904 113.0 50.2 -71.7 -37.8 63.5 16.3 37.0 95 109 A L H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.939 111.1 50.5 -62.9 -43.0 66.3 15.6 39.5 96 110 A Y H X S+ 0 0 92 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.919 114.3 42.8 -58.5 -48.4 64.2 17.6 42.1 97 111 A I H X S+ 0 0 6 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.879 112.2 54.8 -66.6 -40.0 61.1 15.6 41.4 98 112 A A H <>S+ 0 0 0 -4,-3.0 5,-1.9 2,-0.2 -2,-0.2 0.948 111.0 43.7 -59.9 -49.7 63.1 12.3 41.3 99 113 A K H ><5S+ 0 0 79 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.864 114.3 50.5 -65.0 -35.3 64.6 13.0 44.8 100 114 A L H 3<5S+ 0 0 78 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.812 104.1 58.8 -71.7 -27.4 61.2 14.1 46.1 101 115 A S T 3<5S- 0 0 2 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.459 119.0-115.5 -79.5 1.4 59.7 10.9 44.6 102 116 A N T < 5 + 0 0 120 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.879 56.3 163.0 67.7 39.5 62.1 9.1 46.9 103 117 A V < - 0 0 2 -5,-1.9 -1,-0.2 1,-0.1 -17,-0.1 -0.828 44.6-111.6 -91.8 120.0 64.1 7.5 44.0 104 118 A P > - 0 0 65 0, 0.0 3,-2.1 0, 0.0 -17,-0.2 -0.195 15.9-131.0 -51.4 135.3 67.5 6.3 45.3 105 119 A S G > S+ 0 0 21 1,-0.3 24,-2.2 2,-0.2 3,-2.0 0.850 105.8 68.7 -58.5 -33.8 70.4 8.3 44.0 106 120 A K G 3 S+ 0 0 120 1,-0.3 -1,-0.3 22,-0.2 22,-0.1 0.653 102.3 48.1 -60.3 -14.2 72.1 5.0 43.0 107 121 A K G < S+ 0 0 59 -3,-2.1 -20,-2.9 -22,-0.1 2,-0.4 -0.064 92.6 99.9-117.2 33.0 69.4 4.7 40.4 108 122 A I E < -o 87 0E 0 -3,-2.0 22,-1.6 -22,-0.2 21,-0.5 -0.966 44.2-175.5-126.5 121.1 69.5 8.2 38.9 109 123 A V E -op 88 130E 2 -22,-2.1 -20,-2.3 -2,-0.4 2,-0.6 -0.917 15.2-145.6-114.5 140.9 71.3 9.2 35.7 110 124 A F E +op 89 131E 0 20,-2.2 22,-2.0 -2,-0.4 -20,-0.2 -0.916 20.0 179.0-111.4 113.0 71.5 12.9 34.5 111 125 A N + 0 0 0 -22,-2.6 2,-0.1 -2,-0.6 682,-0.1 -0.646 20.4 114.9-106.0 165.1 71.4 13.6 30.7 112 126 A G - 0 0 3 20,-0.3 3,-0.4 -2,-0.2 22,-0.2 -0.376 53.3-132.6 141.6 138.5 71.5 16.9 28.9 113 127 A N S S+ 0 0 0 678,-0.4 679,-0.1 1,-0.2 641,-0.1 0.451 104.7 45.1 -91.9 -4.0 73.7 18.8 26.5 114 128 A C + 0 0 3 677,-0.5 2,-0.4 -3,-0.1 -1,-0.2 -0.404 69.9 170.5-140.4 66.5 73.5 21.9 28.5 115 129 A K - 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0 0 87 -3,-1.5 -3,-0.2 -4,-0.3 -19,-0.1 0.935 27.1-162.8 50.3 57.1 75.3 11.9 44.7 128 142 A I < - 0 0 3 -5,-1.9 26,-0.4 1,-0.1 -22,-0.2 -0.295 28.7-110.5 -69.0 155.3 73.5 10.5 41.6 129 143 A R S S- 0 0 18 -24,-2.2 2,-0.3 -21,-0.5 -20,-0.2 0.938 90.5 -9.9 -50.8 -52.5 74.7 7.2 40.0 130 144 A A E -p 109 0E 2 -22,-1.6 -20,-2.2 -25,-0.2 2,-0.7 -0.998 47.3-137.8-156.8 152.2 76.0 9.0 37.0 131 145 A F E -pq 110 155E 1 23,-1.8 2,-2.5 -2,-0.3 25,-2.4 -0.921 27.9-142.0-102.8 108.6 76.3 12.2 35.0 132 146 A N E - q 0 156E 2 -22,-2.0 -20,-0.3 -2,-0.7 25,-0.2 -0.514 26.7-145.8 -73.5 83.5 75.9 11.1 31.4 133 147 A V E - q 0 157E 0 -2,-2.5 25,-2.9 23,-1.7 49,-0.2 -0.215 21.3-174.0 -53.0 138.3 78.5 13.6 30.2 134 148 A D + 0 0 0 1,-0.3 2,-0.3 -22,-0.2 -1,-0.1 0.692 62.5 6.6-107.0 -29.2 77.7 15.1 26.8 135 149 A S > - 0 0 4 47,-0.1 4,-1.8 1,-0.1 -1,-0.3 -0.948 69.5-108.2-150.7 168.6 80.8 17.1 26.1 136 150 A I H > S+ 0 0 33 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.816 118.4 60.0 -70.1 -31.5 84.3 18.0 27.3 137 151 A S H > S+ 0 0 33 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.858 106.4 48.0 -63.5 -35.0 83.1 21.4 28.3 138 152 A E H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.900 109.9 51.2 -71.7 -42.2 80.6 19.6 30.6 139 153 A L H X S+ 0 0 0 -4,-1.8 4,-3.1 1,-0.2 5,-0.3 0.930 108.7 50.9 -60.7 -47.9 83.3 17.3 32.1 140 154 A I H X S+ 0 0 83 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.823 113.3 47.0 -59.2 -32.8 85.6 20.3 32.9 141 155 A L H X S+ 0 0 34 -4,-1.0 4,-2.6 -5,-0.2 -2,-0.2 0.925 112.6 47.3 -75.4 -48.0 82.6 22.0 34.6 142 156 A I H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.949 115.2 46.1 -57.8 -50.7 81.6 18.9 36.6 143 157 A N H X S+ 0 0 17 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.936 114.8 46.4 -58.9 -49.5 85.2 18.2 37.7 144 158 A E H X S+ 0 0 91 -4,-1.8 4,-1.4 -5,-0.3 -1,-0.2 0.859 114.8 48.7 -61.9 -35.3 85.8 21.9 38.6 145 159 A T H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.890 108.5 51.6 -74.2 -38.8 82.4 22.0 40.5 146 160 A A H X>S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 5,-2.0 0.911 106.6 55.4 -63.2 -40.0 83.1 18.8 42.4 147 161 A K H <5S+ 0 0 108 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.915 107.2 51.1 -57.5 -41.4 86.4 20.2 43.5 148 162 A E H <5S+ 0 0 119 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.900 112.8 43.7 -62.2 -43.5 84.5 23.2 44.8 149 163 A L H <5S- 0 0 57 -4,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.715 108.4-125.2 -75.8 -19.7 82.1 21.0 46.8 150 164 A G T <5S+ 0 0 57 -4,-2.0 2,-0.2 1,-0.3 -3,-0.2 0.768 75.1 108.7 78.9 25.5 84.9 18.9 48.0 151 165 A E < - 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