==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/ANTIBIOTIC 30-APR-09 3H9G . 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 . 1397 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 965 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 10.3 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 . 95 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 177 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 396 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.1 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 2 1 2 0 7 1 1 17 5 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 0 4 4 8 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 . 7 1 9 7 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 0 196 0, 0.0 50,-0.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 44.9 -26.1 27.6 -4.2 2 2 A D - 0 0 71 48,-0.2 79,-3.6 46,-0.1 2,-0.3 -0.571 360.0-161.0 -84.7 144.4 -22.6 28.4 -2.8 3 3 A Y E -AB 49 80A 58 46,-3.5 46,-3.0 77,-0.3 2,-0.3 -0.904 7.2-165.6-116.3 152.8 -19.4 27.0 -4.1 4 4 A I E - B 0 79A 19 75,-2.3 75,-2.2 -2,-0.3 2,-0.3 -0.998 26.1-111.9-139.5 140.0 -16.1 26.9 -2.2 5 5 A L E - B 0 78A 17 40,-2.5 73,-0.3 -2,-0.3 2,-0.1 -0.559 42.3-115.5 -67.9 128.8 -12.5 26.3 -3.3 6 6 A G > - 0 0 5 71,-3.2 3,-1.6 -2,-0.3 -1,-0.1 -0.398 10.2-130.8 -68.0 141.1 -11.2 23.0 -1.8 7 7 A R T 3 S+ 0 0 89 1,-0.3 623,-2.1 622,-0.1 -1,-0.1 0.771 104.3 67.1 -58.3 -26.7 -8.4 23.2 0.8 8 8 A Y T 3 S+ 0 0 5 621,-0.2 14,-0.6 88,-0.1 2,-0.5 0.278 78.1 102.1 -82.4 8.2 -6.5 20.5 -1.2 9 9 A V < + 0 0 6 -3,-1.6 2,-0.3 12,-0.1 619,-0.1 -0.834 43.5 168.9 -99.4 130.4 -6.0 22.8 -4.3 10 10 A K - 0 0 0 -2,-0.5 11,-3.7 619,-0.1 2,-0.3 -0.925 12.5-161.9-132.0 157.4 -2.6 24.3 -4.8 11 11 A I E -C 20 0B 6 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.906 5.2-172.4-136.3 162.2 -1.1 26.1 -7.8 12 12 A A E -C 19 0B 0 7,-1.8 7,-3.3 -2,-0.3 2,-0.2 -0.953 30.9-110.8-160.3 140.6 2.3 27.0 -9.0 13 13 A R E +C 18 0B 62 598,-0.5 2,-0.3 -2,-0.3 5,-0.3 -0.537 52.6 154.7 -66.3 136.3 4.1 29.0 -11.7 14 14 A Y E > -C 17 0B 72 3,-1.7 3,-1.7 -2,-0.2 -2,-0.1 -0.923 48.7 -21.9-170.7 135.7 5.7 26.5 -14.0 15 15 A G T 3 S- 0 0 68 -2,-0.3 -1,-0.1 1,-0.3 15,-0.1 -0.243 122.9 -24.3 56.6-137.0 6.8 26.6 -17.7 16 16 A S T 3 S- 0 0 78 2,-0.1 -1,-0.3 -3,-0.1 16,-0.2 0.461 142.2 -3.6 -84.6 -3.6 5.0 29.2 -19.8 17 17 A G E < S-C 14 0B 2 -3,-1.7 -3,-1.7 14,-0.1 2,-0.3 -0.072 94.4 -93.6-147.4-109.3 2.0 29.2 -17.4 18 18 A G E -CD 13 29B 0 11,-2.1 11,-2.4 -5,-0.3 2,-0.3 -0.995 23.3 -86.7-174.9 176.6 1.5 27.1 -14.4 19 19 A L E -CD 12 28B 0 -7,-3.3 -7,-1.8 -2,-0.3 2,-0.4 -0.697 25.8-158.4 -96.4 147.5 0.1 24.1 -12.5 20 20 A V E -CD 11 27B 3 7,-2.4 7,-1.9 -2,-0.3 -9,-0.2 -0.962 57.7 -7.1-126.7 114.7 -3.4 23.8 -11.0 21 21 A G S S- 0 0 0 -11,-3.7 2,-0.4 -2,-0.4 1372,-0.2 -0.014 71.4-100.1 90.7 162.9 -4.1 21.3 -8.2 22 22 A G S S+ 0 0 4 -14,-0.6 3,-0.5 4,-0.1 565,-0.3 -0.948 74.3 12.0-125.4 144.7 -2.0 18.5 -6.6 23 23 A G S > S- 0 0 4 -2,-0.4 3,-1.6 1,-0.2 563,-0.1 -0.653 120.0 -13.4 96.7-153.1 -2.1 14.7 -7.2 24 24 A G T 3 S+ 0 0 26 1,-0.3 -1,-0.2 -2,-0.3 562,-0.1 0.781 134.9 53.8 -56.9 -33.6 -3.8 12.9 -10.0 25 25 A K T 3 S+ 0 0 43 -3,-0.5 -1,-0.3 50,-0.1 -2,-0.1 0.518 75.7 135.3 -83.1 -6.7 -5.9 15.9 -11.0 26 26 A E < - 0 0 30 -3,-1.6 2,-0.4 -7,-0.1 -5,-0.2 -0.180 36.9-165.2 -46.3 123.5 -2.8 18.2 -11.4 27 27 A Q E -D 20 0B 71 -7,-1.9 -7,-2.4 -6,-0.1 2,-0.7 -0.937 16.2-149.3-118.1 137.7 -3.1 20.2 -14.7 28 28 A Y E -D 19 0B 89 -2,-0.4 2,-0.6 -9,-0.2 -9,-0.2 -0.932 12.9-163.2-103.5 111.5 -0.5 22.2 -16.5 29 29 A V E -D 18 0B 20 -11,-2.4 -11,-2.1 -2,-0.7 6,-0.1 -0.887 3.5-160.3 -96.6 121.2 -2.0 25.1 -18.3 30 30 A E + 0 0 53 -2,-0.6 2,-0.2 -13,-0.2 -1,-0.1 0.890 66.7 80.6 -69.3 -46.9 0.4 26.4 -21.0 31 31 A N > - 0 0 92 1,-0.1 4,-1.7 -14,-0.1 -13,-0.2 -0.431 65.0-153.7 -66.5 131.9 -1.1 29.9 -21.5 32 32 A L H > S+ 0 0 81 -16,-0.2 4,-2.6 2,-0.2 5,-0.2 0.894 94.7 52.8 -73.1 -41.0 -0.0 32.5 -18.8 33 33 A V H > S+ 0 0 55 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.845 112.4 44.9 -64.1 -37.3 -3.2 34.6 -19.3 34 34 A L H > S+ 0 0 74 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.914 113.0 50.0 -72.4 -43.0 -5.5 31.6 -18.9 35 35 A W H X S+ 0 0 3 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.929 111.4 47.8 -63.0 -46.7 -3.6 30.3 -15.8 36 36 A E H X S+ 0 0 14 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.867 110.4 53.7 -61.9 -37.8 -3.6 33.7 -14.1 37 37 A N H X S+ 0 0 23 -4,-1.4 4,-2.2 -5,-0.2 -1,-0.2 0.838 105.8 52.7 -62.2 -36.4 -7.4 33.9 -14.9 38 38 A I H X S+ 0 0 7 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.882 109.0 49.8 -67.1 -38.8 -7.9 30.5 -13.2 39 39 A I H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.882 110.2 51.6 -63.3 -40.2 -6.1 31.8 -10.1 40 40 A K H X S+ 0 0 35 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.923 112.8 42.8 -66.6 -45.7 -8.3 34.9 -10.2 41 41 A T H < S+ 0 0 0 -4,-2.2 3,-0.5 2,-0.2 4,-0.3 0.935 113.9 50.8 -67.2 -45.5 -11.6 33.0 -10.4 42 42 A A H >< S+ 0 0 5 -4,-2.3 3,-1.3 1,-0.2 -37,-0.2 0.841 104.8 58.8 -57.9 -39.2 -10.5 30.4 -7.8 43 43 A Y H >< S+ 0 0 94 -4,-2.0 3,-1.4 1,-0.2 4,-0.3 0.861 98.7 60.0 -56.3 -38.3 -9.6 33.3 -5.4 44 44 A C T 3< S+ 0 0 9 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.596 103.6 51.2 -67.2 -12.2 -13.2 34.4 -5.7 45 45 A F T < S+ 0 0 0 -3,-1.3 -40,-2.5 -4,-0.3 -1,-0.2 0.278 72.5 104.8-110.1 8.9 -14.4 31.1 -4.2 46 46 A I S < S+ 0 0 27 -3,-1.4 -1,-0.1 -42,-0.2 -2,-0.1 0.886 85.8 46.8 -53.2 -39.8 -12.1 31.1 -1.2 47 47 A T S S- 0 0 89 -4,-0.3 2,-0.4 -3,-0.2 -44,-0.2 -0.767 117.1 -86.2-101.0 148.8 -15.3 32.0 0.8 48 48 A P + 0 0 76 0, 0.0 2,-0.3 0, 0.0 -44,-0.2 -0.426 69.3 163.0 -62.5 113.8 -18.5 30.1 0.2 49 49 A S B -A 3 0A 17 -46,-3.0 -46,-3.5 -2,-0.4 32,-0.1 -0.977 40.2-122.4-139.2 143.1 -20.0 32.0 -2.7 50 50 A S > - 0 0 27 -2,-0.3 4,-2.6 -48,-0.3 5,-0.3 -0.414 41.1-104.8 -74.9 160.6 -22.6 31.6 -5.4 51 51 A Y H > S+ 0 0 53 -50,-0.5 4,-2.4 2,-0.2 5,-0.1 0.902 122.5 46.6 -51.5 -46.6 -21.4 32.0 -9.0 52 52 A T H > S+ 0 0 84 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 112.7 48.3 -66.9 -45.8 -23.0 35.5 -9.3 53 53 A A H 4 S+ 0 0 39 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.858 115.0 45.3 -62.1 -40.1 -21.6 36.7 -5.9 54 54 A A H >< S+ 0 0 0 -4,-2.6 3,-1.0 2,-0.2 4,-0.4 0.880 110.3 54.6 -68.5 -41.4 -18.1 35.4 -6.8 55 55 A L H >< S+ 0 0 32 -4,-2.4 3,-1.4 -5,-0.3 5,-0.2 0.865 99.4 62.5 -59.2 -39.1 -18.3 36.9 -10.3 56 56 A E T 3< S+ 0 0 156 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.750 106.1 45.3 -60.1 -25.6 -19.1 40.3 -8.7 57 57 A T T < S+ 0 0 101 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.472 93.4 102.1 -96.6 -5.0 -15.7 40.3 -7.1 58 58 A A < - 0 0 20 -3,-1.4 4,-0.1 -4,-0.4 -17,-0.1 -0.525 56.5-158.0 -78.7 145.4 -13.8 39.2 -10.2 59 59 A N + 0 0 156 -2,-0.2 -1,-0.1 2,-0.1 -3,-0.1 -0.186 66.9 89.1-111.0 37.0 -11.9 41.7 -12.3 60 60 A I S S- 0 0 20 -5,-0.2 -2,-0.1 -23,-0.1 5,-0.0 -0.909 90.6 -81.7-127.4 155.7 -12.0 39.6 -15.5 61 61 A P >> - 0 0 83 0, 0.0 4,-2.2 0, 0.0 3,-0.7 -0.315 40.4-120.2 -57.2 142.0 -14.5 39.4 -18.4 62 62 A E H 3> S+ 0 0 121 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.773 111.1 58.2 -56.2 -35.6 -17.5 37.2 -17.6 63 63 A K H 3> S+ 0 0 65 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.893 110.5 44.4 -62.3 -40.8 -16.9 34.8 -20.5 64 64 A D H <> S+ 0 0 58 -3,-0.7 4,-2.5 2,-0.2 3,-0.4 0.952 111.8 50.7 -66.6 -53.4 -13.4 34.0 -19.0 65 65 A F H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.848 110.0 54.2 -48.7 -38.8 -14.7 33.7 -15.4 66 66 A S H X S+ 0 0 23 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.873 109.0 45.0 -68.1 -39.6 -17.3 31.3 -16.8 67 67 A N H X S+ 0 0 92 -4,-1.4 4,-2.6 -3,-0.4 -2,-0.2 0.889 115.1 47.8 -72.4 -41.0 -14.7 29.0 -18.5 68 68 A C H X S+ 0 0 1 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.907 110.3 52.1 -63.8 -44.9 -12.5 29.0 -15.4 69 69 A F H X S+ 0 0 19 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.882 111.5 47.8 -55.2 -42.2 -15.4 28.3 -13.2 70 70 A R H X S+ 0 0 161 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.918 112.1 49.1 -67.3 -43.9 -16.3 25.3 -15.5 71 71 A F H X S+ 0 0 40 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.946 114.0 45.5 -54.6 -53.8 -12.7 24.2 -15.4 72 72 A L H <>S+ 0 0 2 -4,-3.1 5,-2.9 1,-0.2 6,-1.1 0.867 114.6 47.8 -61.3 -42.9 -12.5 24.4 -11.6 73 73 A K H ><5S+ 0 0 95 -4,-2.4 3,-1.6 3,-0.2 -1,-0.2 0.878 106.7 54.1 -66.5 -44.1 -15.9 22.7 -11.1 74 74 A E H 3<5S+ 0 0 139 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.877 113.2 44.9 -64.9 -32.8 -15.3 19.7 -13.5 75 75 A N T 3<5S- 0 0 18 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.331 113.4-119.5 -87.7 4.2 -12.1 18.9 -11.6 76 76 A F T < 5S+ 0 0 75 -3,-1.6 26,-0.2 2,-0.2 -3,-0.2 0.812 74.9 132.1 55.3 33.6 -13.8 19.3 -8.2 77 77 A F S -B 3 0A 51 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.270 49.7-123.4 -42.8 126.9 -20.8 22.7 -3.2 81 81 A G G > S+ 0 0 7 -79,-3.6 3,-1.6 1,-0.3 -78,-0.1 0.831 108.8 59.9 -46.1 -43.5 -20.4 25.0 -0.2 82 82 A E G > S+ 0 0 59 -80,-0.3 3,-2.0 1,-0.3 -1,-0.3 0.721 86.2 74.8 -58.9 -26.5 -22.2 22.4 2.1 83 83 A Y G < S+ 0 0 63 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.661 93.3 56.6 -64.6 -13.2 -19.6 19.7 1.4 84 84 A N G < S+ 0 0 57 -3,-1.6 2,-1.3 -4,-0.3 -1,-0.3 0.314 73.8 118.7-102.1 7.9 -17.3 21.7 3.7 85 85 A N < 0 0 123 -3,-2.0 21,-0.1 1,-0.2 -3,-0.1 -0.616 360.0 360.0 -81.3 90.6 -19.6 21.7 6.8 86 86 A S 0 0 84 -2,-1.3 3,-0.7 3,-0.0 -1,-0.2 0.222 360.0 360.0-148.5 360.0 -17.7 19.8 9.6 87 ! 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 88 89 A N 0 0 111 0, 0.0 409,-0.1 0, 0.0 410,-0.0 0.000 360.0 360.0 360.0 -27.4 -13.4 18.7 14.3 89 90 A N > - 0 0 66 -3,-0.7 3,-1.7 1,-0.1 4,-0.2 -0.302 360.0-123.0 -62.8 145.1 -14.7 15.3 13.3 90 91 A R T 3 S+ 0 0 16 1,-0.3 3,-0.3 2,-0.1 411,-0.3 0.779 112.5 49.2 -59.7 -30.0 -12.2 12.3 13.7 91 92 A Y T >> S+ 0 0 21 1,-0.2 3,-0.8 2,-0.1 4,-0.7 0.208 77.5 115.8 -95.7 14.2 -12.6 11.4 10.0 92 93 A S H X> + 0 0 32 -3,-1.7 4,-0.8 1,-0.2 3,-0.5 0.776 68.3 55.8 -57.1 -36.3 -12.0 15.0 8.8 93 94 A R H 3> S+ 0 0 80 -3,-0.3 4,-0.7 1,-0.2 3,-0.3 0.821 104.5 53.9 -72.0 -29.0 -8.7 14.4 6.8 94 95 A N H <> S+ 0 0 0 -3,-0.8 4,-2.6 1,-0.2 -1,-0.2 0.711 97.5 70.5 -67.5 -21.6 -10.4 11.7 4.7 95 96 A F H <>S+ 0 0 0 -4,-2.6 5,-1.8 1,-0.2 3,-1.3 0.930 112.3 51.8 -56.4 -48.7 -13.6 12.5 -0.6 99 100 A Q H ><5S+ 0 0 3 -4,-3.3 3,-2.4 1,-0.2 -1,-0.2 0.896 101.3 61.9 -51.6 -44.0 -14.2 16.2 -1.7 100 101 A S H 3<5S+ 0 0 7 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.659 102.3 51.4 -63.2 -18.4 -11.4 15.9 -4.3 101 102 A Y T <<5S- 0 0 20 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.093 124.1-102.8-102.5 15.4 -13.3 13.2 -6.2 102 103 A G T < 5S+ 0 0 28 -3,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.736 77.9 136.7 72.6 24.2 -16.5 15.3 -6.3 103 104 A A < - 0 0 14 -5,-1.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.689 63.0-112.0-102.9 157.1 -18.2 13.4 -3.5 104 105 A N >> - 0 0 41 -2,-0.3 4,-1.8 1,-0.2 3,-0.8 -0.788 26.2-150.3 -81.9 110.9 -20.2 14.5 -0.5 105 106 A P H 3> S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 3,-0.2 0.890 93.7 53.0 -52.4 -49.1 -18.0 13.6 2.5 106 107 A V H 3> S+ 0 0 63 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.815 108.9 51.3 -55.2 -36.0 -20.9 13.0 4.9 107 108 A L H <> S+ 0 0 88 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.882 109.9 47.0 -72.9 -39.0 -22.5 10.6 2.4 108 109 A V H X S+ 0 0 6 -4,-1.8 4,-2.0 -3,-0.2 -2,-0.2 0.942 113.5 49.7 -64.8 -46.0 -19.3 8.5 2.0 109 110 A Q H X S+ 0 0 14 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.917 109.0 51.8 -59.6 -43.1 -18.8 8.4 5.7 110 111 A D H X S+ 0 0 78 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.889 108.2 51.6 -62.4 -40.4 -22.5 7.3 6.2 111 112 A K H < S+ 0 0 77 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.853 110.9 49.1 -61.9 -35.8 -22.0 4.5 3.7 112 113 A L H >< S+ 0 0 0 -4,-2.0 27,-2.3 1,-0.2 3,-1.9 0.916 106.0 55.7 -69.2 -44.9 -18.9 3.3 5.6 113 114 A K H 3< S+ 0 0 156 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.867 109.8 47.4 -52.5 -40.1 -20.7 3.4 9.0 114 115 A N T 3< S+ 0 0 130 -4,-1.4 -1,-0.3 -5,-0.2 2,-0.2 0.290 94.2 107.5 -90.3 10.0 -23.3 1.1 7.6 115 116 A A < - 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0 0 2 18,-2.8 17,-2.3 15,-0.3 2,-0.2 -0.450 42.1-171.4 -67.6 132.6 0.5 -15.0 17.6 150 151 A E - 0 0 92 15,-0.2 3,-0.4 -2,-0.2 4,-0.3 -0.705 36.8-111.4-114.1 172.6 4.2 -16.0 17.3 151 152 A N S > S+ 0 0 77 -2,-0.2 3,-0.9 1,-0.2 4,-0.1 0.772 116.9 60.2 -72.5 -28.8 7.4 -14.0 17.7 152 153 A T G > S+ 0 0 11 1,-0.2 3,-0.8 2,-0.1 -1,-0.2 0.662 91.1 71.1 -71.6 -18.7 8.1 -14.2 13.9 153 154 A N G >> S+ 0 0 9 -3,-0.4 4,-2.0 1,-0.2 3,-1.1 0.743 73.5 85.7 -66.6 -25.8 4.8 -12.4 13.3 154 155 A L G <4 S+ 0 0 10 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.1 0.556 72.2 75.5 -63.3 -12.3 6.2 -9.1 14.6 155 156 A T G <4 S+ 0 0 7 -3,-0.8 -1,-0.3 281,-0.2 326,-0.1 0.943 119.6 0.5 -61.2 -54.1 7.7 -8.2 11.2 156 157 A R T <4 S+ 0 0 21 -3,-1.1 2,-2.0 1,-0.1 -2,-0.2 0.666 107.3 91.9-111.2 -28.9 4.4 -7.2 9.3 157 158 A Q >< - 0 0 2 -4,-2.0 3,-1.7 1,-0.2 -1,-0.1 -0.502 53.6-179.6 -81.5 79.2 1.7 -7.6 11.9 158 159 A V T 3 S+ 0 0 9 -2,-2.0 -1,-0.2 1,-0.3 -4,-0.1 0.549 71.7 57.8 -62.5 -16.7 1.7 -4.1 13.2 159 160 A L T 3 S+ 0 0 0 -3,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.760 91.7 87.4 -84.7 -23.9 -1.0 -4.4 15.8 160 161 A F < - 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0 0 35 -2,-0.3 4,-1.4 -48,-0.3 5,-0.2 -0.302 39.9-103.2 -73.4 167.1 -0.1 38.2 50.0 1090 51 D Y H > S+ 0 0 63 -50,-0.4 4,-1.8 1,-0.2 -1,-0.1 0.889 118.2 42.2 -59.5 -45.5 -1.9 38.0 46.6 1091 52 D T H > S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.870 111.4 52.9 -77.4 -38.0 -3.5 41.5 46.8 1092 53 D A H > S+ 0 0 44 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.793 113.4 45.8 -65.7 -29.4 -0.5 43.4 48.1 1093 54 D A H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.854 106.4 58.6 -80.2 -38.6 1.6 41.9 45.2 1094 55 D L H < S+ 0 0 45 -4,-1.8 5,-0.4 2,-0.2 -2,-0.2 0.937 110.9 43.1 -52.6 -52.1 -1.2 42.7 42.7 1095 56 D E H < S+ 0 0 174 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.935 112.5 51.7 -55.4 -53.2 -0.9 46.4 43.7 1096 57 D T H < S+ 0 0 113 -4,-1.6 2,-0.3 -5,-0.2 -1,-0.2 0.710 101.1 75.7 -63.4 -25.0 2.9 46.4 43.8 1097 58 D A S < S- 0 0 9 -4,-2.0 2,-1.1 -3,-0.2 -17,-0.1 -0.674 82.7-134.0 -85.2 144.1 2.9 44.9 40.2 1098 59 D N + 0 0 125 -2,-0.3 -3,-0.1 2,-0.0 -2,-0.1 -0.664 66.9 100.3 -96.9 76.0 2.2 47.2 37.3 1099 60 D I S S- 0 0 24 -2,-1.1 -2,-0.1 -5,-0.4 5,-0.1 -0.995 78.6 -83.2-156.9 151.2 -0.3 44.9 35.5 1100 61 D P >> - 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