==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JUN-12 4AZ4 . COMPND 2 MOLECULE: PEPTIDE DEFORMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.J.PALM,W.HINRICHS . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9047.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 20.2 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 . 1 0.6 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 . 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 . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 0 0 0 0 0 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 1 1 1 0 1 1 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 . 1 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 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 S 0 0 81 0, 0.0 2,-0.5 0, 0.0 36,-0.3 0.000 360.0 360.0 360.0 167.5 3.7 -4.3 5.8 2 2 A V - 0 0 90 34,-0.1 2,-0.2 35,-0.1 32,-0.1 -0.713 360.0-150.4 -84.3 126.7 0.9 -5.2 3.4 3 3 A L - 0 0 43 30,-0.5 2,-0.5 -2,-0.5 -1,-0.0 -0.480 20.1 -98.8 -95.7 164.2 1.7 -4.3 -0.2 4 4 A Q - 0 0 150 47,-0.2 2,-0.6 -2,-0.2 -1,-0.1 -0.710 31.7-143.8 -83.9 129.1 -0.5 -3.4 -3.1 5 5 A V - 0 0 10 -2,-0.5 46,-0.2 46,-0.1 2,-0.1 -0.827 17.2-128.6 -96.4 122.7 -1.3 -6.2 -5.5 6 6 A L - 0 0 7 44,-2.7 2,-0.3 -2,-0.6 4,-0.1 -0.377 22.4-153.8 -68.4 144.5 -1.5 -5.2 -9.2 7 7 A H - 0 0 58 -2,-0.1 86,-0.2 2,-0.1 6,-0.1 -0.882 29.9 -65.5-117.8 150.4 -4.6 -6.2 -11.2 8 8 A I S S+ 0 0 3 84,-2.4 3,-0.0 -2,-0.3 0, 0.0 -0.483 112.2 48.5 -63.3 140.9 -5.1 -6.8 -14.9 9 9 A P S S+ 0 0 75 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 0.165 82.6 114.6 -96.1 105.4 -4.9 -4.7 -17.1 10 10 A D > - 0 0 42 -4,-0.1 3,-1.7 1,-0.1 4,-0.3 -0.979 55.2-148.7-135.1 119.6 -1.6 -3.4 -15.8 11 11 A E G > S+ 0 0 151 -2,-0.4 3,-1.5 1,-0.3 4,-0.1 0.683 91.9 73.4 -67.3 -19.8 1.4 -4.0 -18.1 12 12 A R G > S+ 0 0 102 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.776 84.9 68.5 -66.1 -22.6 3.8 -4.3 -15.2 13 13 A L G < S+ 0 0 2 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.761 95.8 55.6 -62.6 -23.5 2.2 -7.8 -14.7 14 14 A R G < S+ 0 0 66 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.414 83.2 118.8 -87.7 0.7 3.9 -8.7 -18.0 15 15 A K < - 0 0 109 -3,-1.5 124,-0.6 -4,-0.1 2,-0.6 -0.423 64.7-128.4 -72.1 141.4 7.4 -7.8 -16.8 16 16 A V B -A 138 0A 95 122,-0.2 122,-0.2 -2,-0.1 2,-0.1 -0.837 28.3-127.6 -89.5 123.4 10.1 -10.5 -16.6 17 17 A A - 0 0 7 120,-2.6 38,-0.3 -2,-0.6 37,-0.1 -0.389 13.4-127.7 -73.0 144.3 11.7 -10.5 -13.2 18 18 A K B -b 55 0B 139 36,-2.5 38,-2.1 -2,-0.1 56,-0.1 -0.580 34.4 -97.0 -82.7 150.6 15.5 -10.4 -12.7 19 19 A P - 0 0 82 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.354 40.7-106.3 -58.9 149.3 17.2 -13.0 -10.5 20 20 A V - 0 0 7 36,-0.3 3,-0.1 1,-0.1 35,-0.0 -0.643 27.2-156.6 -72.6 134.1 17.9 -12.0 -6.9 21 21 A E S S- 0 0 176 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.920 70.9 -0.9 -84.1 -46.4 21.7 -11.3 -6.6 22 22 A E - 0 0 129 2,-0.0 2,-1.3 0, 0.0 -1,-0.3 -0.986 65.4-126.3-145.8 138.7 22.1 -11.9 -2.8 23 23 A V + 0 0 33 -2,-0.3 2,-0.1 -3,-0.1 89,-0.0 -0.694 53.7 151.1 -84.6 90.2 19.6 -12.9 -0.1 24 24 A N > - 0 0 63 -2,-1.3 4,-2.1 91,-0.0 3,-0.2 -0.394 64.9 -75.2-108.4-174.9 20.3 -10.1 2.4 25 25 A A H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.845 130.1 54.4 -52.0 -39.6 18.1 -8.3 5.0 26 26 A E H > S+ 0 0 109 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.892 106.8 49.6 -67.0 -41.6 16.3 -6.4 2.3 27 27 A I H > S+ 0 0 8 -3,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.922 110.3 51.9 -60.8 -43.0 15.3 -9.5 0.4 28 28 A Q H X S+ 0 0 45 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.842 105.9 54.0 -64.9 -36.8 14.1 -11.0 3.6 29 29 A R H X S+ 0 0 162 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.886 108.7 49.2 -56.8 -45.0 11.9 -7.9 4.3 30 30 A I H X S+ 0 0 12 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.927 110.3 51.5 -62.8 -45.2 10.3 -8.3 0.8 31 31 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.936 111.7 46.2 -56.4 -49.1 9.7 -12.0 1.6 32 32 A D H X S+ 0 0 44 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.912 112.8 48.9 -63.6 -42.0 8.0 -11.1 4.9 33 33 A D H X S+ 0 0 24 -4,-2.6 4,-2.1 2,-0.2 -30,-0.5 0.853 108.8 55.7 -62.7 -37.0 5.9 -8.3 3.3 34 34 A M H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.944 108.5 45.9 -63.1 -47.2 4.9 -10.8 0.6 35 35 A F H X S+ 0 0 2 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.949 111.5 52.1 -59.5 -47.5 3.6 -13.3 3.1 36 36 A E H X S+ 0 0 89 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.887 114.2 43.9 -54.8 -41.1 1.8 -10.6 5.0 37 37 A T H X S+ 0 0 0 -4,-2.1 4,-1.7 -36,-0.3 -1,-0.2 0.904 112.9 50.6 -71.0 -44.0 0.1 -9.5 1.7 38 38 A M H <>S+ 0 0 0 -4,-2.9 5,-3.0 2,-0.2 3,-0.3 0.950 113.3 45.3 -61.3 -50.7 -0.7 -13.0 0.6 39 39 A Y H ><5S+ 0 0 30 -4,-3.0 3,-1.7 1,-0.2 -1,-0.2 0.911 109.6 54.3 -61.9 -43.1 -2.3 -13.9 3.9 40 40 A A H 3<5S+ 0 0 64 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.819 110.9 46.9 -60.6 -32.2 -4.3 -10.7 4.1 41 41 A E T 3<5S- 0 0 85 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.366 115.0-119.2 -86.1 1.0 -5.7 -11.5 0.6 42 42 A E T < 5 + 0 0 156 -3,-1.7 -3,-0.2 -4,-0.2 2,-0.2 0.895 64.2 150.7 59.4 42.5 -6.4 -15.1 1.7 43 43 A G < - 0 0 12 -5,-3.0 -1,-0.2 -6,-0.1 3,-0.1 -0.555 49.7-150.8 -98.7 165.0 -4.1 -16.3 -1.0 44 44 A I S S+ 0 0 65 1,-0.3 17,-2.4 -2,-0.2 2,-0.3 0.444 81.8 20.6-112.0 -7.9 -1.9 -19.4 -1.2 45 45 A G E -C 60 0C 5 15,-0.2 2,-0.3 -7,-0.1 -1,-0.3 -0.986 56.8-176.7-154.8 156.1 0.8 -17.9 -3.4 46 46 A L E -C 59 0C 0 13,-2.2 13,-2.7 -2,-0.3 2,-0.4 -0.948 12.2-151.6-155.0 136.9 2.3 -14.6 -4.5 47 47 A A E > -C 58 0C 0 -2,-0.3 3,-2.0 11,-0.2 4,-0.4 -0.867 26.3-123.3-109.1 143.8 5.0 -13.6 -6.9 48 48 A A G > >S+ 0 0 0 9,-3.0 3,-2.3 -2,-0.4 5,-2.1 0.865 109.5 67.1 -54.2 -39.9 7.1 -10.5 -6.5 49 49 A T G > 5S+ 0 0 0 6,-0.3 3,-1.3 1,-0.3 -1,-0.3 0.809 92.7 62.1 -46.5 -36.0 6.0 -9.3 -10.0 50 50 A Q G < 5S+ 0 0 2 -3,-2.0 -44,-2.7 1,-0.3 -1,-0.3 0.617 105.4 44.4 -72.5 -14.0 2.5 -9.0 -8.6 51 51 A V G < 5S- 0 0 12 -3,-2.3 -1,-0.3 -4,-0.4 -47,-0.2 -0.086 124.9 -98.4-117.8 30.3 3.5 -6.3 -6.1 52 52 A D T < 5S+ 0 0 67 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.777 86.2 126.7 58.8 33.5 5.6 -4.4 -8.6 53 53 A I < - 0 0 38 -5,-2.1 2,-1.4 -6,-0.1 -2,-0.2 -0.969 48.3-155.4-119.0 115.7 8.9 -5.9 -7.4 54 54 A H + 0 0 28 -2,-0.5 -36,-2.5 -5,-0.1 2,-0.3 -0.409 52.4 107.6-102.0 64.2 10.7 -7.4 -10.4 55 55 A Q B S-b 18 0B 58 -2,-1.4 2,-2.3 -38,-0.3 -7,-0.3 -0.944 82.6 -98.3-134.2 151.7 12.9 -10.0 -8.8 56 56 A R S S+ 0 0 43 -38,-2.1 18,-2.8 -2,-0.3 2,-0.4 -0.466 72.5 134.1 -78.8 78.7 12.5 -13.8 -8.8 57 57 A I E + D 0 73C 0 -2,-2.3 -9,-3.0 16,-0.2 2,-0.4 -0.999 26.1 175.0-133.3 128.9 10.8 -14.2 -5.4 58 58 A I E -CD 47 72C 0 14,-1.9 14,-2.7 -2,-0.4 2,-0.4 -0.989 11.5-162.9-130.2 142.2 7.8 -16.3 -4.6 59 59 A V E +CD 46 71C 0 -13,-2.7 -13,-2.2 -2,-0.4 2,-0.4 -0.975 13.9 179.3-122.9 142.6 6.0 -17.1 -1.4 60 60 A I E +CD 45 70C 2 10,-2.5 10,-3.1 -2,-0.4 -15,-0.2 -0.994 17.2 170.5-140.6 143.4 3.6 -20.0 -1.0 61 61 A D + 0 0 4 -17,-2.4 8,-0.1 -2,-0.4 5,-0.0 -0.749 4.4 169.2-150.7 103.3 1.5 -21.5 1.8 62 62 A V + 0 0 58 6,-0.4 2,-0.1 -2,-0.2 7,-0.1 0.385 46.3 114.0 -92.4 6.6 -1.0 -24.1 0.9 63 63 A S > - 0 0 28 5,-0.2 3,-0.8 1,-0.1 5,-0.1 -0.426 67.3-135.8 -78.3 146.7 -1.7 -25.1 4.6 64 64 A E T 3 S+ 0 0 181 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.908 106.5 47.0 -64.1 -42.3 -5.1 -24.5 6.2 65 65 A N T 3 S- 0 0 119 1,-0.0 -1,-0.2 -3,-0.0 -2,-0.0 0.326 108.6-123.2 -90.4 9.0 -3.6 -23.1 9.3 66 66 A R S < S+ 0 0 111 -3,-0.8 -2,-0.1 1,-0.1 3,-0.1 0.886 78.1 115.2 58.9 45.5 -1.2 -20.8 7.5 67 67 A D + 0 0 99 1,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.027 45.5 83.9-136.9 31.0 1.9 -22.3 9.1 68 68 A E - 0 0 130 -5,-0.1 2,-0.4 2,-0.1 -6,-0.4 -0.626 61.3-170.9-134.4 73.8 3.8 -23.9 6.2 69 69 A R - 0 0 143 -2,-0.2 2,-0.5 -8,-0.1 -8,-0.2 -0.537 2.7-171.5 -73.0 121.8 5.8 -21.0 4.7 70 70 A L E -D 60 0C 33 -10,-3.1 -10,-2.5 -2,-0.4 2,-0.5 -0.955 1.1-168.4-116.0 123.9 7.5 -21.9 1.5 71 71 A V E -D 59 0C 13 -2,-0.5 2,-0.5 -12,-0.2 -12,-0.2 -0.961 4.0-172.0-114.4 129.9 9.9 -19.4 -0.0 72 72 A L E +D 58 0C 0 -14,-2.7 -14,-1.9 -2,-0.5 2,-0.4 -0.918 6.4 178.3-124.3 103.3 11.2 -19.8 -3.6 73 73 A I E S-DE 57 111C 0 38,-2.4 38,-2.7 -2,-0.5 -16,-0.2 -0.902 75.5 -6.3-104.5 135.7 14.0 -17.4 -4.5 74 74 A N E S- 0 0 34 -18,-2.8 -1,-0.2 -2,-0.4 -17,-0.1 0.877 90.6-159.9 43.0 54.5 15.4 -17.8 -8.0 75 75 A P E - 0 0 2 0, 0.0 2,-0.4 0, 0.0 35,-0.2 -0.208 8.3-161.0 -65.9 144.7 13.4 -21.0 -8.6 76 76 A E E - E 0 109C 99 33,-2.6 33,-2.1 0, 0.0 2,-0.7 -0.996 15.4-135.2-130.7 125.8 14.6 -23.4 -11.3 77 77 A L E + E 0 108C 82 -2,-0.4 31,-0.2 31,-0.2 3,-0.1 -0.725 26.5 172.8 -79.5 114.3 12.4 -26.0 -12.9 78 78 A L E - 0 0 73 29,-2.6 2,-0.3 -2,-0.7 30,-0.2 0.814 63.6 -14.2 -88.0 -39.9 14.5 -29.2 -13.1 79 79 A E E - E 0 107C 79 28,-1.4 28,-2.4 2,-0.0 -1,-0.3 -0.984 54.8-171.3-156.6 158.5 11.9 -31.6 -14.3 80 80 A K E + E 0 106C 132 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.981 7.9 179.0-150.0 157.6 8.1 -32.0 -14.8 81 81 A S E + E 0 105C 41 24,-2.1 24,-2.3 -2,-0.3 23,-1.1 -0.989 40.1 20.3-154.9 158.7 5.8 -34.8 -15.7 82 82 A G - 0 0 40 -2,-0.3 2,-0.3 21,-0.2 23,-0.1 0.056 68.2-103.1 74.9 174.3 2.1 -35.7 -16.2 83 83 A E + 0 0 164 20,-0.3 2,-0.3 21,-0.1 20,-0.2 -0.993 44.3 143.4-139.2 146.8 -0.8 -33.3 -16.9 84 84 A T B -G 102 0D 47 18,-2.4 18,-2.3 -2,-0.3 2,-0.2 -0.913 18.2-167.2-158.1 179.9 -3.5 -32.1 -14.7 85 85 A G - 0 0 20 -2,-0.3 2,-0.3 16,-0.2 14,-0.1 -0.804 6.0-174.2-175.4 151.8 -5.6 -29.0 -14.0 86 86 A I - 0 0 70 14,-0.3 2,-1.1 -2,-0.2 14,-1.1 -0.811 50.8 -79.1-132.4 173.9 -8.0 -27.4 -11.6 87 87 A E E -H 99 0E 118 -2,-0.3 12,-0.3 12,-0.2 2,-0.2 -0.683 59.1-156.6 -78.9 100.9 -10.0 -24.2 -11.6 88 88 A E E -H 98 0E 9 10,-2.3 10,-1.7 -2,-1.1 2,-0.2 -0.541 13.0-164.1 -82.1 142.8 -7.4 -21.7 -10.8 89 89 A G - 0 0 35 -2,-0.2 2,-0.3 8,-0.2 8,-0.1 -0.623 4.4-157.4-109.7 175.0 -7.8 -18.2 -9.3 90 90 A C > - 0 0 16 3,-0.4 3,-1.8 6,-0.4 6,-0.3 -0.929 24.5-135.2-157.0 133.3 -5.3 -15.4 -9.1 91 91 A L T 3 S+ 0 0 33 -2,-0.3 -86,-0.1 1,-0.3 -1,-0.1 0.740 110.6 53.0 -60.2 -24.3 -5.0 -12.3 -6.8 92 92 A S T 3 S+ 0 0 0 1,-0.2 -84,-2.4 -85,-0.1 -1,-0.3 0.470 109.9 48.3 -92.2 -3.8 -4.3 -10.2 -10.0 93 93 A I S X S- 0 0 0 -3,-1.8 3,-1.5 -86,-0.2 -3,-0.4 -0.615 92.7-150.4-129.3 71.1 -7.5 -11.5 -11.7 94 94 A P T 3 - 0 0 23 0, 0.0 67,-0.1 0, 0.0 -3,-0.1 -0.101 67.1 -4.9 -58.8 137.8 -10.1 -11.0 -9.0 95 95 A E T 3 S+ 0 0 170 1,-0.2 2,-0.4 -5,-0.1 -4,-0.1 0.525 102.3 116.5 64.5 10.9 -13.2 -13.3 -8.8 96 96 A Q < + 0 0 31 -3,-1.5 -6,-0.4 -6,-0.3 2,-0.3 -0.919 38.3 176.6-112.0 135.4 -12.3 -15.1 -12.0 97 97 A R + 0 0 168 -2,-0.4 2,-0.3 -8,-0.1 -8,-0.2 -0.995 3.2 165.7-136.4 146.2 -11.4 -18.8 -12.1 98 98 A A E -H 88 0E 16 -10,-1.7 -10,-2.3 -2,-0.3 2,-0.3 -0.985 38.9-106.0-157.6 145.7 -10.6 -21.2 -14.9 99 99 A L E -H 87 0E 97 -2,-0.3 -12,-0.2 -12,-0.3 -14,-0.1 -0.577 41.0-177.8 -70.1 133.5 -9.2 -24.6 -15.6 100 100 A V - 0 0 0 -14,-1.1 -14,-0.3 -2,-0.3 2,-0.2 -0.970 30.3-107.0-134.4 140.2 -5.7 -24.5 -17.0 101 101 A P + 0 0 86 0, 0.0 2,-0.3 0, 0.0 -16,-0.2 -0.530 47.7 163.3 -70.6 136.9 -3.3 -27.3 -18.2 102 102 A R B -G 84 0D 12 -18,-2.3 -18,-2.4 -2,-0.2 2,-0.1 -0.957 43.6 -92.7-143.0 159.4 -0.4 -27.9 -15.8 103 103 A A - 0 0 10 -2,-0.3 -20,-0.3 -20,-0.2 -21,-0.2 -0.492 28.6-140.9 -67.8 145.3 2.2 -30.5 -15.1 104 104 A E S S+ 0 0 53 -23,-1.1 20,-0.5 1,-0.2 2,-0.4 0.822 84.6 27.5 -75.6 -37.5 1.1 -32.9 -12.4 105 105 A K E -EF 81 123C 86 -24,-2.3 -24,-2.1 18,-0.2 2,-0.3 -0.993 66.2-178.5-128.6 142.7 4.6 -33.2 -10.8 106 106 A V E -EF 80 122C 0 16,-2.4 16,-2.7 -2,-0.4 2,-0.4 -0.956 14.8-156.7-134.2 151.5 7.4 -30.8 -10.7 107 107 A K E +EF 79 121C 69 -28,-2.4 -29,-2.6 -2,-0.3 -28,-1.4 -0.997 26.9 174.5-123.9 124.5 10.9 -30.9 -9.2 108 108 A I E -EF 77 120C 0 12,-3.0 12,-2.5 -2,-0.4 2,-0.4 -0.886 24.2-149.5-127.6 161.8 12.4 -27.5 -8.5 109 109 A R E +EF 76 119C 95 -33,-2.1 -33,-2.6 -2,-0.3 2,-0.3 -0.979 31.1 146.1-127.3 145.1 15.5 -26.0 -7.0 110 110 A A E - F 0 118C 3 8,-2.1 8,-2.2 -2,-0.4 2,-0.4 -0.935 46.1 -96.8-159.2 171.4 15.5 -22.6 -5.2 111 111 A L E -EF 73 117C 46 -38,-2.7 -38,-2.4 -2,-0.3 2,-0.1 -0.872 36.3-139.7 -98.1 143.6 17.0 -20.6 -2.4 112 112 A D > - 0 0 40 4,-2.3 3,-1.9 -2,-0.4 -40,-0.1 -0.162 41.5 -79.1 -88.0-174.7 15.1 -20.3 0.9 113 113 A R T 3 S+ 0 0 89 1,-0.3 -82,-0.1 2,-0.1 -85,-0.1 0.756 133.5 50.8 -64.7 -22.8 14.7 -17.2 3.1 114 114 A D T 3 S- 0 0 121 2,-0.1 -1,-0.3 -86,-0.0 -91,-0.1 0.446 121.5-106.7 -87.7 -1.2 18.2 -17.7 4.5 115 115 A G S < S+ 0 0 25 -3,-1.9 -2,-0.1 1,-0.3 -92,-0.1 0.518 73.0 145.0 87.5 8.4 19.7 -18.1 1.0 116 116 A K - 0 0 141 1,-0.0 -4,-2.3 -5,-0.0 -1,-0.3 -0.669 49.0-124.7 -84.3 130.7 20.2 -21.8 1.4 117 117 A P E +F 111 0C 83 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.464 38.0 165.7 -68.8 145.7 19.7 -23.9 -1.8 118 118 A F E -F 110 0C 54 -8,-2.2 -8,-2.1 -2,-0.1 2,-0.3 -0.964 28.3-131.3-152.3 164.5 17.1 -26.7 -1.6 119 119 A E E -F 109 0C 90 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.911 18.2-169.9-120.6 147.2 15.2 -29.1 -3.9 120 120 A L E -F 108 0C 40 -12,-2.5 -12,-3.0 -2,-0.3 2,-0.5 -0.989 12.2-161.9-141.4 127.9 11.6 -29.8 -3.8 121 121 A E E +F 107 0C 129 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.942 26.6 176.9-106.5 124.4 9.5 -32.5 -5.6 122 122 A A E +F 106 0C 6 -16,-2.7 -16,-2.4 -2,-0.5 2,-0.2 -0.954 13.8 173.5-132.6 149.6 5.8 -31.5 -5.5 123 123 A D E >> +F 105 0C 100 -2,-0.3 4,-1.6 -18,-0.2 3,-0.7 -0.734 51.2 21.9-135.7-174.4 2.6 -32.9 -6.9 124 124 A G H 3> S- 0 0 24 -20,-0.5 4,-1.9 -2,-0.2 5,-0.2 -0.076 124.2 -10.8 57.0-145.7 -1.1 -32.0 -6.6 125 125 A L H 3> S+ 0 0 84 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.874 135.8 55.6 -56.6 -41.0 -2.1 -28.5 -5.6 126 126 A L H <> S+ 0 0 42 -3,-0.7 4,-2.7 1,-0.2 -1,-0.2 0.915 106.9 50.1 -63.7 -43.1 1.4 -27.5 -4.6 127 127 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 -23,-0.2 -1,-0.2 0.904 111.7 48.6 -60.2 -41.8 2.8 -28.4 -8.0 128 128 A I H X S+ 0 0 6 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.932 111.4 49.0 -64.0 -46.1 0.0 -26.4 -9.7 129 129 A X H X S+ 0 0 12 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.924 109.0 53.9 -62.1 -45.1 0.7 -23.3 -7.4 130 130 A I H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.933 110.8 45.1 -52.3 -47.8 4.4 -23.5 -8.1 131 131 A Q H X S+ 0 0 30 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.915 112.4 51.5 -64.1 -43.7 3.8 -23.4 -11.8 132 132 A H H X S+ 0 0 11 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.927 113.9 44.2 -57.7 -47.9 1.3 -20.5 -11.5 133 133 A E H X S+ 0 0 5 -4,-2.9 4,-1.1 2,-0.2 -2,-0.2 0.912 111.4 51.8 -68.1 -41.7 3.7 -18.5 -9.4 134 134 A M H >X S+ 0 0 30 -4,-2.9 4,-0.7 -5,-0.2 3,-0.5 0.899 105.8 57.5 -61.7 -35.3 6.7 -19.2 -11.7 135 135 A D H ><>S+ 0 0 21 -4,-2.4 5,-2.7 1,-0.2 3,-1.3 0.916 100.0 57.8 -58.4 -44.9 4.5 -18.1 -14.6 136 136 A H H ><5S+ 0 0 0 -4,-1.5 3,-1.6 1,-0.3 -1,-0.2 0.836 99.8 57.9 -52.0 -39.3 4.0 -14.7 -12.9 137 137 A L H <<5S+ 0 0 0 -4,-1.1 -120,-2.6 -3,-0.5 -1,-0.3 0.689 108.5 45.4 -72.1 -20.7 7.8 -14.1 -12.8 138 138 A V B <<5S-A 16 0A 66 -3,-1.3 -1,-0.3 -4,-0.7 -122,-0.2 0.007 125.0-101.3-105.0 26.0 8.0 -14.5 -16.6 139 139 A G T < 5S+ 0 0 8 -3,-1.6 2,-0.4 -124,-0.6 -3,-0.2 0.746 77.9 138.2 65.3 27.7 5.0 -12.2 -17.1 140 140 A K < - 0 0 84 -5,-2.7 2,-0.3 -6,-0.1 -1,-0.2 -0.875 33.2-165.9-109.8 137.7 2.5 -15.0 -17.8 141 141 A L > - 0 0 3 -2,-0.4 3,-2.0 1,-0.1 4,-0.3 -0.848 33.5-113.1-120.0 156.4 -1.0 -15.2 -16.3 142 142 A F G > S+ 0 0 2 -2,-0.3 3,-1.7 1,-0.3 4,-0.1 0.822 113.7 64.4 -62.8 -30.2 -3.4 -18.2 -16.2 143 143 A M G > S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.699 84.3 77.4 -66.1 -17.1 -5.8 -16.5 -18.6 144 144 A D G < S+ 0 0 51 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.702 88.9 56.7 -66.8 -17.7 -3.0 -16.8 -21.3 145 145 A Y G < S+ 0 0 95 -3,-1.7 -1,-0.3 -4,-0.3 2,-0.2 0.462 96.8 83.7 -88.5 -2.5 -3.8 -20.5 -21.7 146 146 A L S < S- 0 0 33 -3,-1.6 -46,-0.0 1,-0.1 5,-0.0 -0.517 93.3 -79.6 -99.8 166.4 -7.5 -19.8 -22.6 147 147 A S >> - 0 0 56 -2,-0.2 4,-2.6 1,-0.1 3,-0.5 -0.281 43.1-109.9 -62.8 149.8 -9.1 -18.8 -25.8 148 148 A P H 3> S+ 0 0 109 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.803 121.4 52.9 -49.4 -31.9 -8.9 -15.2 -27.0 149 149 A L H 3> S+ 0 0 91 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.870 107.2 48.9 -73.7 -43.0 -12.6 -14.9 -26.3 150 150 A K H <> S+ 0 0 115 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.929 110.2 53.2 -58.9 -43.8 -12.3 -16.2 -22.7 151 151 A Q H X S+ 0 0 53 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.894 108.7 50.1 -59.2 -40.8 -9.5 -13.8 -22.2 152 152 A Q H X S+ 0 0 102 -4,-1.6 4,-3.0 -5,-0.2 -1,-0.2 0.940 109.5 48.3 -60.0 -52.3 -11.8 -11.0 -23.4 153 153 A R H X S+ 0 0 122 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.880 114.8 47.7 -58.7 -39.1 -14.7 -11.9 -21.0 154 154 A I H X S+ 0 0 16 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.904 111.7 49.1 -65.8 -45.3 -12.1 -12.1 -18.2 155 155 A R H X S+ 0 0 71 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.943 112.6 49.3 -56.3 -49.3 -10.6 -8.7 -19.1 156 156 A Q H X S+ 0 0 108 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.830 111.8 47.4 -59.8 -40.4 -14.1 -7.1 -19.3 157 157 A K H X S+ 0 0 107 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.871 111.4 47.7 -76.8 -38.6 -15.2 -8.5 -15.9 158 158 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.940 111.0 52.6 -64.7 -46.7 -12.1 -7.5 -13.9 159 159 A E H < S+ 0 0 94 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.877 111.9 45.6 -56.6 -40.1 -12.1 -3.9 -15.4 160 160 A K H >< S+ 0 0 175 -4,-1.4 3,-0.5 -5,-0.2 -1,-0.2 0.817 110.6 55.0 -72.1 -32.6 -15.8 -3.5 -14.3 161 161 A L H 3< S+ 0 0 44 -4,-1.7 2,-2.6 1,-0.2 -2,-0.2 0.969 101.4 56.0 -62.4 -54.6 -15.0 -5.0 -10.9 162 162 A D T 3< 0 0 70 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.1 -0.191 360.0 360.0 -73.6 50.5 -12.2 -2.4 -10.1 163 163 A R < 0 0 252 -2,-2.6 -3,-0.1 -3,-0.5 -2,-0.0 -0.225 360.0 360.0 -70.9 360.0 -14.8 0.3 -10.8