==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-APR-09 3H5N . COMPND 2 MOLECULE: MCCB PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.A.REGNI,R.F.ROUSH,D.MILLER,A.NOURSE,C.T.WALSH,B.A.SCHULMAN . 1346 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 945 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 95 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 140 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 8 0.6 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 . 79 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 190 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 396 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.2 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 10 0 2 13 7 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 4 5 3 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 . 8 0 12 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 8 0 0 0 0 0 4 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 M 0 0 202 0, 0.0 50,-0.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 14.5 -25.8 28.0 -4.3 2 2 A D - 0 0 77 48,-0.2 79,-2.8 46,-0.1 2,-0.3 -0.387 360.0-168.9 -76.0 141.5 -22.4 28.3 -2.6 3 3 A Y E -AB 49 80A 51 46,-2.4 46,-2.8 77,-0.3 2,-0.4 -0.926 4.9-164.2-121.6 153.8 -19.1 26.9 -3.9 4 4 A I E - B 0 79A 20 75,-2.5 75,-2.5 -2,-0.3 2,-0.3 -0.998 25.9-108.0-140.1 140.2 -15.9 26.8 -1.9 5 5 A L E - B 0 78A 20 40,-3.1 73,-0.3 -2,-0.4 72,-0.1 -0.521 42.6-110.1 -67.3 128.2 -12.3 26.2 -2.9 6 6 A G > - 0 0 4 71,-3.8 3,-1.3 -2,-0.3 -1,-0.1 -0.281 12.5-137.5 -55.5 136.9 -10.9 22.8 -1.9 7 7 A R T 3 S+ 0 0 106 1,-0.3 612,-2.2 611,-0.1 -1,-0.1 0.760 103.9 63.8 -69.2 -24.7 -8.4 22.9 0.9 8 8 A Y T 3 S+ 0 0 5 610,-0.2 2,-0.4 89,-0.1 14,-0.4 0.344 80.1 111.3 -80.5 2.6 -6.4 20.3 -1.1 9 9 A V < + 0 0 3 -3,-1.3 2,-0.3 68,-0.2 608,-0.1 -0.695 40.6 171.0 -83.3 127.7 -5.9 22.7 -4.0 10 10 A K - 0 0 63 -2,-0.4 11,-2.9 608,-0.1 2,-0.3 -0.937 11.8-163.6-129.2 156.3 -2.4 24.0 -4.6 11 11 A I E -C 20 0B 6 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.946 5.4-176.0-134.3 155.7 -1.0 26.1 -7.5 12 12 A A E -C 19 0B 42 7,-1.6 7,-2.8 -2,-0.3 2,-0.4 -0.968 31.4-115.8-154.2 139.2 2.6 26.8 -8.7 13 13 A R E +C 18 0B 146 -2,-0.3 2,-0.3 5,-0.2 5,-0.3 -0.637 51.2 159.1 -71.8 129.7 4.1 29.0 -11.3 14 14 A Y E > -C 17 0B 143 3,-2.1 3,-1.7 -2,-0.4 15,-0.1 -0.961 45.0 -24.1-160.5 134.3 5.8 26.6 -13.8 15 15 A G T 3 S- 0 0 53 -2,-0.3 4,-0.0 1,-0.3 15,-0.0 -0.351 123.0 -23.3 64.9-137.4 7.0 26.6 -17.4 16 16 A S T 3 S- 0 0 71 2,-0.1 16,-0.6 -2,-0.1 -1,-0.3 0.479 142.6 -6.5 -81.9 -3.3 5.3 29.2 -19.6 17 17 A G E < S-C 14 0B 0 -3,-1.7 -3,-2.1 14,-0.2 2,-0.3 -0.113 93.1 -84.5-151.5-111.3 2.3 29.2 -17.2 18 18 A G E -CD 13 29B 0 11,-2.5 11,-3.4 -5,-0.3 2,-0.3 -0.991 21.0 -97.9-170.8 175.5 1.5 27.0 -14.2 19 19 A L E -CD 12 28B 29 -7,-2.8 -7,-1.6 -2,-0.3 2,-0.4 -0.783 25.1-164.7-106.2 145.3 0.2 24.0 -12.4 20 20 A V E +CD 11 27B 1 7,-2.1 7,-2.5 -2,-0.3 -9,-0.2 -0.990 55.7 9.2-131.5 128.0 -3.2 23.7 -10.7 21 21 A G - 0 0 1 -11,-2.9 2,-0.4 -2,-0.4 -12,-0.1 -0.034 70.0-112.1 93.1 161.5 -4.1 21.0 -8.3 22 22 A G S S+ 0 0 4 -14,-0.4 3,-0.5 4,-0.1 560,-0.3 -0.986 72.5 12.7-133.2 143.7 -2.0 18.3 -6.5 23 23 A G S > S- 0 0 8 -2,-0.4 3,-1.6 1,-0.2 558,-0.1 -0.661 122.8 -12.8 94.8-152.2 -2.1 14.6 -7.1 24 24 A G T 3 S+ 0 0 24 1,-0.3 -1,-0.2 -2,-0.3 557,-0.1 0.783 136.2 53.2 -58.2 -27.8 -3.8 12.7 -9.9 25 25 A K T 3 S+ 0 0 40 -3,-0.5 -1,-0.3 50,-0.1 -2,-0.1 0.415 73.5 133.7 -92.6 -0.1 -5.7 15.8 -10.9 26 26 A E < - 0 0 84 -3,-1.6 2,-0.4 -7,-0.1 -5,-0.2 -0.297 38.0-165.0 -51.5 126.7 -2.7 18.2 -11.3 27 27 A Q E -D 20 0B 70 -7,-2.5 -7,-2.1 -6,-0.1 2,-0.6 -0.954 15.6-142.7-120.8 139.9 -3.0 20.1 -14.6 28 28 A Y E -D 19 0B 109 -2,-0.4 2,-0.7 -9,-0.2 -9,-0.2 -0.889 12.1-165.7-100.5 122.5 -0.4 22.1 -16.4 29 29 A V E -D 18 0B 16 -11,-3.4 -11,-2.5 -2,-0.6 -15,-0.2 -0.942 1.8-168.3-110.8 109.8 -1.8 25.2 -18.1 30 30 A E + 0 0 50 -2,-0.7 2,-0.8 -13,-0.2 -1,-0.1 0.699 64.1 87.0 -72.7 -23.6 0.8 26.5 -20.5 31 31 A N > - 0 0 93 1,-0.2 4,-2.8 -13,-0.1 5,-0.2 -0.726 65.0-157.0 -87.0 111.4 -0.9 29.8 -21.1 32 32 A L H > S+ 0 0 61 -2,-0.8 4,-2.9 -16,-0.6 5,-0.2 0.886 93.0 48.1 -52.7 -47.9 0.3 32.3 -18.5 33 33 A V H > S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.879 113.3 47.4 -64.0 -41.8 -2.8 34.6 -18.9 34 34 A L H > S+ 0 0 80 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.909 113.0 49.0 -62.9 -45.0 -5.2 31.6 -18.6 35 35 A W H X S+ 0 0 1 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.936 110.0 51.7 -60.0 -47.3 -3.3 30.3 -15.6 36 36 A E H X S+ 0 0 18 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.888 108.8 51.2 -56.4 -43.1 -3.4 33.7 -13.9 37 37 A N H X S+ 0 0 24 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.850 106.1 54.0 -63.7 -36.9 -7.2 33.9 -14.5 38 38 A I H X S+ 0 0 5 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.907 109.8 48.8 -65.0 -41.5 -7.7 30.5 -12.9 39 39 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.942 111.2 48.7 -60.1 -48.6 -5.9 31.7 -9.8 40 40 A K H X S+ 0 0 28 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.901 115.0 45.7 -62.8 -40.1 -8.0 34.9 -9.7 41 41 A T H >< S+ 0 0 0 -4,-2.6 3,-0.7 2,-0.2 4,-0.5 0.950 111.5 50.5 -66.5 -48.2 -11.1 32.9 -10.1 42 42 A A H >< S+ 0 0 2 -4,-3.1 3,-1.5 1,-0.2 -2,-0.2 0.876 105.5 58.7 -55.6 -39.8 -10.1 30.3 -7.5 43 43 A Y H >< S+ 0 0 93 -4,-2.5 3,-1.4 1,-0.3 4,-0.3 0.842 97.3 60.6 -58.3 -39.2 -9.3 33.2 -5.1 44 44 A C T << S+ 0 0 9 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.619 103.9 51.2 -64.4 -16.9 -12.9 34.3 -5.3 45 45 A F T < S+ 0 0 0 -3,-1.5 -40,-3.1 -4,-0.5 -1,-0.2 0.209 72.8 102.7-108.0 15.1 -14.1 31.0 -3.9 46 46 A I S < S+ 0 0 58 -3,-1.4 -1,-0.1 -42,-0.2 -2,-0.1 0.927 88.4 45.9 -60.2 -45.2 -11.8 30.8 -0.8 47 47 A T S S- 0 0 92 -4,-0.3 2,-0.2 -3,-0.2 -44,-0.2 -0.728 117.5 -88.1 -90.7 146.5 -15.0 31.9 1.2 48 48 A P + 0 0 69 0, 0.0 2,-0.3 0, 0.0 -44,-0.2 -0.408 66.4 162.5 -65.7 122.9 -18.2 30.0 0.3 49 49 A S B -A 3 0A 14 -46,-2.8 -46,-2.4 -2,-0.2 32,-0.1 -0.997 40.0-118.7-147.8 137.8 -19.7 32.0 -2.6 50 50 A S > - 0 0 29 -2,-0.3 4,-2.8 -48,-0.3 5,-0.2 -0.281 42.3-104.3 -64.5 162.1 -22.3 31.6 -5.3 51 51 A Y H > S+ 0 0 53 -50,-0.4 4,-2.6 2,-0.2 5,-0.2 0.941 123.8 45.3 -54.3 -46.5 -21.1 32.0 -8.9 52 52 A T H > S+ 0 0 80 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.915 112.3 49.9 -67.8 -44.3 -22.6 35.5 -9.1 53 53 A A H 4 S+ 0 0 45 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.915 114.4 45.2 -60.4 -45.3 -21.3 36.6 -5.7 54 54 A A H >< S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.2 4,-0.5 0.931 109.5 55.2 -62.6 -45.0 -17.8 35.4 -6.6 55 55 A L H >< S+ 0 0 28 -4,-2.6 3,-1.1 1,-0.3 5,-0.2 0.829 98.6 63.4 -59.8 -32.4 -17.9 37.0 -10.1 56 56 A E T 3< S+ 0 0 156 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.714 106.6 43.7 -67.7 -17.8 -18.7 40.4 -8.5 57 57 A T T < S+ 0 0 104 -3,-1.7 2,-0.3 -4,-0.5 -1,-0.3 0.406 94.0 100.2-102.9 -3.0 -15.3 40.3 -6.7 58 58 A A < - 0 0 19 -3,-1.1 -17,-0.1 -4,-0.5 4,-0.1 -0.621 62.1-151.3 -85.4 141.0 -13.4 39.1 -9.8 59 59 A N + 0 0 147 -2,-0.3 -1,-0.1 2,-0.1 -3,-0.1 -0.017 68.0 91.8 -99.7 32.2 -11.4 41.7 -11.9 60 60 A I S S- 0 0 18 -5,-0.2 -2,-0.1 -23,-0.1 5,-0.1 -0.889 87.0 -87.0-127.5 153.9 -11.8 39.7 -15.1 61 61 A P >> - 0 0 83 0, 0.0 4,-2.3 0, 0.0 3,-0.6 -0.258 41.3-117.4 -57.2 145.5 -14.3 39.5 -18.0 62 62 A E H 3> S+ 0 0 121 1,-0.2 4,-3.1 2,-0.2 5,-0.1 0.767 112.7 58.1 -56.1 -32.5 -17.3 37.2 -17.3 63 63 A K H 3> S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.896 109.8 43.8 -64.6 -42.0 -16.3 34.9 -20.2 64 64 A D H <> S+ 0 0 65 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.920 115.8 48.5 -67.3 -44.8 -12.9 34.2 -18.7 65 65 A F H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.927 109.5 52.5 -58.9 -48.5 -14.4 33.8 -15.3 66 66 A S H X S+ 0 0 22 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.926 111.1 46.7 -55.1 -47.3 -17.1 31.4 -16.6 67 67 A N H X S+ 0 0 98 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.880 113.4 47.7 -64.5 -41.2 -14.5 29.2 -18.2 68 68 A C H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.907 110.4 52.4 -66.7 -40.4 -12.2 29.2 -15.1 69 69 A F H X S+ 0 0 19 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.916 109.7 50.4 -57.3 -45.2 -15.2 28.4 -12.9 70 70 A R H X S+ 0 0 160 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.921 110.1 48.5 -63.3 -43.5 -16.0 25.5 -15.2 71 71 A F H X S+ 0 0 44 -4,-2.2 4,-1.6 1,-0.2 6,-0.2 0.923 114.2 46.7 -58.8 -48.1 -12.4 24.2 -15.0 72 72 A L H <>S+ 0 0 1 -4,-2.7 5,-2.5 1,-0.2 6,-1.4 0.884 114.9 45.9 -62.5 -42.0 -12.4 24.4 -11.2 73 73 A K H ><5S+ 0 0 93 -4,-2.5 3,-1.5 -5,-0.2 -2,-0.2 0.920 108.9 54.3 -69.7 -43.3 -15.7 22.7 -10.9 74 74 A E H 3<5S+ 0 0 147 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.885 113.8 42.6 -60.0 -36.9 -15.0 19.9 -13.3 75 75 A N T 3<5S- 0 0 19 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.386 112.1-119.0 -89.7 3.8 -11.9 19.0 -11.4 76 76 A F T < 5S+ 0 0 73 -3,-1.5 27,-0.2 2,-0.2 -3,-0.2 0.757 76.0 131.1 56.6 32.7 -13.6 19.4 -8.0 77 77 A F S -B 3 0A 50 0, 0.0 3,-1.9 0, 0.0 -77,-0.3 -0.318 45.8-125.3 -48.1 130.9 -20.5 22.6 -3.2 81 81 A G G > S+ 0 0 16 -79,-2.8 3,-1.9 1,-0.3 -78,-0.1 0.835 107.6 61.3 -47.3 -43.0 -20.3 24.7 0.0 82 82 A E G > S+ 0 0 77 -80,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.701 89.3 71.8 -63.0 -17.3 -22.4 22.2 2.0 83 83 A Y G < S+ 0 0 65 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.619 95.4 53.4 -75.1 -10.6 -19.7 19.5 1.4 84 84 A N G < S+ 0 0 73 -3,-1.9 2,-1.5 -4,-0.3 -1,-0.3 0.308 79.8 113.0-101.9 8.7 -17.5 21.4 3.8 85 85 A N < + 0 0 72 -3,-1.6 2,-0.3 -4,-0.1 -1,-0.1 -0.587 50.6 85.7 -91.4 76.9 -20.1 21.3 6.5 86 86 A S S S- 0 0 48 -2,-1.5 2,-0.2 4,-0.0 21,-0.0 -0.921 83.8 -83.1-153.2 167.0 -18.7 19.1 9.2 87 87 A T > - 0 0 58 -2,-0.3 3,-1.9 1,-0.1 6,-0.1 -0.534 19.0-135.9 -74.0 140.5 -16.3 19.8 12.1 88 88 A E T 3 S+ 0 0 83 1,-0.3 -1,-0.1 -2,-0.2 5,-0.1 0.657 111.3 66.0 -56.9 -17.5 -12.5 19.9 11.7 89 89 A N T 3 S+ 0 0 128 4,-0.1 -1,-0.3 3,-0.1 2,-0.1 0.466 70.1 117.0 -86.3 -8.0 -13.0 17.9 14.9 90 90 A N S X S- 0 0 55 -3,-1.9 3,-1.9 1,-0.1 4,-0.2 -0.462 71.2-131.0 -60.7 131.5 -14.7 14.9 13.1 91 91 A R T 3 S+ 0 0 21 1,-0.3 3,-0.3 -2,-0.1 405,-0.2 0.788 108.5 47.6 -55.6 -27.3 -12.5 11.9 13.6 92 92 A Y T >> S+ 0 0 21 1,-0.2 4,-1.5 2,-0.1 3,-0.6 0.338 76.6 115.4 -96.8 5.5 -12.8 11.2 9.8 93 93 A S H <> S+ 0 0 12 -3,-1.9 4,-1.0 1,-0.3 -1,-0.2 0.743 72.6 53.8 -51.5 -33.5 -12.1 14.8 8.7 94 94 A R H >> S+ 0 0 70 -3,-0.3 4,-1.2 -4,-0.2 3,-0.7 0.938 108.1 49.5 -69.2 -42.6 -8.8 13.9 6.9 95 95 A N H <> S+ 0 0 0 -3,-0.6 4,-2.5 1,-0.2 -2,-0.2 0.799 101.7 67.7 -59.5 -31.3 -10.6 11.2 4.8 96 96 A F H 3X S+ 0 0 7 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.851 96.3 50.6 -58.0 -40.3 -13.2 13.9 4.1 97 97 A L H <>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 3,-1.2 0.909 111.1 55.1 -57.8 -43.4 -13.7 12.3 -0.7 100 100 A Q H ><5S+ 0 0 4 -4,-2.6 3,-2.4 1,-0.2 -1,-0.2 0.908 100.4 58.9 -52.8 -45.3 -14.2 16.0 -1.5 101 101 A S H 3<5S+ 0 0 6 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.623 104.2 51.8 -66.2 -15.7 -11.4 15.8 -4.1 102 102 A Y T <<5S- 0 0 21 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.135 122.9-105.5 -99.8 13.6 -13.3 13.1 -6.0 103 103 A G T < 5S+ 0 0 29 -3,-2.4 2,-0.2 1,-0.2 -3,-0.2 0.651 77.1 133.8 69.6 19.6 -16.5 15.2 -6.0 104 104 A A < - 0 0 16 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.599 64.5-115.6 -95.6 160.5 -18.3 13.2 -3.4 105 105 A N >> - 0 0 35 -2,-0.2 4,-1.7 1,-0.1 3,-1.1 -0.899 27.3-148.1 -93.0 111.4 -20.2 14.6 -0.3 106 106 A P H 3> S+ 0 0 2 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.781 92.8 58.7 -61.6 -31.5 -18.0 13.2 2.5 107 107 A V H 3> S+ 0 0 72 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.872 108.0 47.4 -63.4 -37.2 -20.9 12.8 4.9 108 108 A L H <> S+ 0 0 92 -3,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.890 110.8 49.3 -75.0 -41.0 -22.6 10.5 2.4 109 109 A V H X S+ 0 0 5 -4,-1.7 4,-1.9 2,-0.2 3,-0.2 0.957 111.6 51.0 -55.2 -52.5 -19.5 8.4 1.8 110 110 A Q H X S+ 0 0 19 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.867 105.9 55.2 -52.7 -41.7 -19.1 8.1 5.6 111 111 A D H X S+ 0 0 76 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.888 106.6 51.1 -61.1 -41.6 -22.8 7.0 5.9 112 112 A K H < S+ 0 0 83 -4,-1.9 -1,-0.2 -3,-0.2 4,-0.2 0.898 112.9 45.4 -60.9 -42.4 -22.1 4.1 3.4 113 113 A L H >< S+ 0 0 0 -4,-1.9 27,-2.2 1,-0.2 3,-1.6 0.919 107.9 56.9 -67.5 -45.8 -19.0 3.0 5.4 114 114 A K H 3< S+ 0 0 107 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.852 111.6 43.7 -52.7 -36.8 -20.8 3.2 8.7 115 115 A N T 3< S+ 0 0 112 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.397 95.3 103.2 -96.8 7.5 -23.5 0.8 7.4 116 116 A A < - 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0 0 0 -5,-2.4 -1,-0.3 1,-0.1 -25,-0.2 -0.567 31.8-142.4 -63.3 125.3 -16.4 0.6 8.4 140 140 A G S S+ 0 0 15 -27,-2.2 46,-3.2 -2,-0.3 2,-0.4 0.788 75.3 25.7 -72.6 -32.5 -19.2 -0.1 10.9 141 141 A E E -eg 117 186C 60 -25,-1.3 -23,-2.6 44,-0.2 2,-0.5 -0.989 61.6-175.5-137.0 127.2 -18.8 -3.9 11.3 142 142 A I E -eg 118 187C 0 44,-2.6 46,-2.8 -2,-0.4 2,-0.6 -0.988 8.1-160.9-125.5 127.1 -15.7 -6.0 10.9 143 143 A I E -eg 119 188C 7 -25,-2.4 -23,-3.3 -2,-0.5 2,-0.5 -0.932 10.3-153.1-109.3 116.0 -15.8 -9.8 11.2 144 144 A L E -eg 120 189C 0 44,-3.2 46,-2.9 -2,-0.6 2,-0.5 -0.778 11.1-172.4 -96.1 122.6 -12.4 -11.5 11.8 145 145 A I E +eg 121 190C 1 -25,-2.7 -23,-2.3 -2,-0.5 2,-0.3 -0.957 29.9 109.1-121.9 120.9 -11.8 -15.0 10.7 146 146 A D E - g 0 191C 29 44,-1.4 46,-0.8 -2,-0.5 47,-0.1 -0.932 42.5-154.3-168.0 164.6 -8.8 -17.1 11.5 147 147 A N + 0 0 69 -2,-0.3 2,-0.2 44,-0.2 46,-0.1 0.215 61.9 104.0-130.4 11.4 -7.9 -20.1 13.7 148 148 A D - 0 0 30 44,-0.1 22,-2.3 1,-0.0 23,-0.3 -0.565 60.9-131.5 -96.7 159.9 -4.2 -19.5 14.4 149 149 A Q B -M 169 0D 84 20,-0.3 2,-0.3 -2,-0.2 20,-0.3 -0.709 35.2 -92.6-103.3 158.9 -2.4 -18.2 17.5 150 150 A I - 0 0 2 18,-3.0 17,-3.0 15,-0.4 2,-0.3 -0.545 42.9-169.5 -76.0 132.1 0.2 -15.4 17.5 151 151 A E > - 0 0 100 -2,-0.3 3,-1.2 15,-0.2 4,-0.5 -0.789 35.9-109.4-116.1 162.1 3.9 -16.5 17.2 152 152 A N G > S+ 0 0 68 -2,-0.3 3,-1.2 1,-0.2 4,-0.1 0.883 116.6 60.0 -55.6 -41.4 7.2 -14.6 17.6 153 153 A T G > S+ 0 0 11 1,-0.2 3,-0.9 2,-0.1 -1,-0.2 0.699 91.4 70.8 -59.7 -23.6 7.8 -14.7 13.8 154 154 A N G X> S+ 0 0 10 -3,-1.2 4,-2.0 1,-0.2 3,-1.7 0.817 76.0 81.6 -64.7 -31.2 4.6 -12.8 13.1 155 155 A L G <4 S+ 0 0 12 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.1 0.550 71.5 75.9 -62.8 -13.8 5.8 -9.5 14.4 156 156 A T G <4 S+ 0 0 4 -3,-0.9 -1,-0.3 275,-0.2 320,-0.1 0.877 121.7 3.4 -64.4 -36.0 7.7 -8.5 11.3 157 157 A R T <4 S+ 0 0 24 -3,-1.7 2,-1.7 1,-0.1 -2,-0.2 0.555 105.4 94.9-120.2 -22.1 4.5 -7.6 9.4 158 158 A Q >< - 0 0 3 -4,-2.0 3,-1.9 1,-0.2 -33,-0.1 -0.568 52.2-178.0 -91.4 83.5 1.6 -8.1 11.8 159 159 A V T 3 S+ 0 0 6 -2,-1.7 -1,-0.2 1,-0.3 -34,-0.1 0.619 72.0 56.0 -64.5 -24.8 1.4 -4.5 13.0 160 160 A L T 3 S+ 0 0 0 -3,-0.1 -1,-0.3 2,-0.0 2,-0.3 0.629 95.0 87.3 -80.9 -13.7 -1.4 -4.9 15.7 161 161 A F < - 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