==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JUL-12 4G2X . COMPND 2 MOLECULE: RRNA N-GLYCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MOMORDICA BALSAMINA; . AUTHOR A.SINGH,S.PANDEY,G.S.KUSHWAHA,M.SINHA,P.KAUR,S.SHARMA,T.P.SI . 246 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11414.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 15 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 1 1 0 1 2 0 0 1 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 1 1 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 . 2 0 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 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 D 0 0 129 0, 0.0 2,-0.3 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0 157.1 25.6 10.4 15.2 2 2 A V E -a 50 0A 10 47,-2.2 49,-3.2 2,-0.0 2,-0.3 -0.903 360.0-158.0-123.2 155.3 23.1 13.0 13.9 3 3 A S E -a 51 0A 44 -2,-0.3 2,-0.3 47,-0.2 49,-0.2 -0.972 11.3-174.0-129.7 151.5 19.4 13.2 14.8 4 4 A F E -a 52 0A 7 47,-2.4 49,-2.4 -2,-0.3 2,-0.5 -0.958 8.7-158.9-144.1 130.8 16.2 14.7 13.3 5 5 A R E -a 53 0A 143 -2,-0.3 49,-0.2 47,-0.2 50,-0.1 -0.912 9.2-164.0-106.6 123.1 12.7 14.9 15.0 6 6 A L S > S+ 0 0 16 47,-2.6 3,-1.7 -2,-0.5 2,-0.6 0.786 70.7 92.1 -70.7 -26.7 9.6 15.3 12.9 7 7 A S T 3 S+ 0 0 67 47,-0.4 -2,-0.1 1,-0.3 49,-0.0 -0.579 108.9 1.3 -71.8 114.6 7.6 16.3 15.9 8 8 A G T 3 S+ 0 0 68 -2,-0.6 -1,-0.3 1,-0.3 5,-0.2 0.466 98.1 157.3 87.7 2.0 7.8 20.2 16.0 9 9 A A < + 0 0 14 -3,-1.7 -1,-0.3 4,-0.1 -3,-0.1 -0.247 10.3 164.0 -66.6 144.2 9.9 20.2 12.9 10 10 A D > - 0 0 61 119,-0.0 4,-2.4 1,-0.0 5,-0.3 -0.880 55.9 -82.2-144.5 179.0 10.1 23.3 10.8 11 11 A P H > S+ 0 0 44 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.874 127.7 51.5 -54.7 -33.6 12.3 24.7 8.0 12 12 A S H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.940 110.8 43.5 -67.8 -49.5 14.8 25.9 10.6 13 13 A S H > S+ 0 0 29 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.861 114.1 52.0 -69.5 -33.9 15.2 22.6 12.5 14 14 A Y H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.919 108.5 51.8 -64.0 -44.9 15.4 20.6 9.2 15 15 A G H X S+ 0 0 12 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.905 108.1 52.2 -58.4 -37.9 18.1 23.0 8.0 16 16 A M H X S+ 0 0 99 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.899 108.9 49.6 -63.8 -37.7 20.0 22.3 11.3 17 17 A F H X S+ 0 0 3 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.913 111.2 48.6 -68.3 -44.4 19.7 18.5 10.7 18 18 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.882 111.1 50.2 -65.6 -40.0 21.1 18.8 7.2 19 19 A K H X S+ 0 0 121 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.952 111.7 48.5 -58.5 -45.8 23.9 21.1 8.4 20 20 A D H X S+ 0 0 73 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.878 110.9 51.9 -58.4 -44.2 24.7 18.4 11.1 21 21 A L H >< S+ 0 0 1 -4,-2.7 3,-0.6 2,-0.2 4,-0.4 0.962 112.1 44.1 -60.8 -51.5 24.6 15.7 8.4 22 22 A R H >< S+ 0 0 36 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.922 113.1 52.5 -57.0 -43.0 27.0 17.5 6.1 23 23 A N H 3< S+ 0 0 123 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.710 101.2 61.8 -73.0 -17.4 29.3 18.3 9.1 24 24 A A T << S+ 0 0 38 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.542 83.6 90.2 -81.4 -9.6 29.4 14.7 10.1 25 25 A L S < S- 0 0 6 -3,-1.7 2,-0.1 -4,-0.4 42,-0.1 -0.824 78.7-130.9 -91.4 128.1 31.0 13.6 6.9 26 26 A P + 0 0 52 0, 0.0 12,-0.7 0, 0.0 2,-0.3 -0.444 32.1 166.2 -79.2 149.2 34.9 13.7 7.2 27 27 A H E -F 37 0B 78 10,-0.2 10,-0.1 -2,-0.1 3,-0.1 -0.968 30.1-159.1-154.0 157.3 37.1 15.4 4.7 28 28 A T E S+ 0 0 120 8,-0.5 2,-0.3 -2,-0.3 9,-0.1 0.535 78.8 18.4-113.0 -18.9 40.8 16.5 4.6 29 29 A E E - 0 0 103 7,-0.5 7,-2.5 5,-0.0 2,-0.3 -0.971 62.5-132.9-145.0 169.0 40.5 19.0 1.8 30 30 A K E -F 35 0B 113 -2,-0.3 2,-0.5 5,-0.2 3,-0.0 -0.894 11.1-151.9-118.8 149.8 38.1 21.2 -0.2 31 31 A V E > S-F 34 0B 18 3,-2.6 3,-1.5 -2,-0.3 169,-0.1 -0.993 87.5 -11.3-122.9 117.3 38.1 21.6 -4.0 32 32 A Y T 3 S- 0 0 82 -2,-0.5 -1,-0.1 1,-0.3 168,-0.0 0.877 132.0 -56.1 52.6 41.9 36.8 25.0 -5.1 33 33 A N T 3 S+ 0 0 131 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.524 115.0 118.3 70.5 15.0 35.7 25.5 -1.5 34 34 A I E < S-F 31 0B 8 -3,-1.5 -3,-2.6 205,-0.0 -1,-0.2 -0.937 73.2-106.3-113.2 128.2 33.6 22.3 -1.5 35 35 A P E -F 30 0B 27 0, 0.0 205,-2.0 0, 0.0 2,-0.7 -0.166 29.0-141.9 -54.1 133.0 34.4 19.5 0.9 36 36 A L E -g 240 0C 12 -7,-2.5 -8,-0.5 203,-0.2 -7,-0.5 -0.909 16.8-131.3-101.1 111.9 35.9 16.5 -0.9 37 37 A L E -F 27 0B 1 203,-2.5 -10,-0.2 -2,-0.7 30,-0.1 -0.285 33.9 -94.3 -63.1 152.5 34.7 13.2 0.5 38 38 A L - 0 0 33 -12,-0.7 204,-0.3 28,-0.3 3,-0.1 -0.259 17.4-131.4 -70.1 146.6 37.4 10.7 1.4 39 39 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.894 88.0 -6.6 -59.2 -38.7 38.5 7.9 -1.0 40 40 A S - 0 0 80 26,-0.1 2,-0.3 2,-0.0 204,-0.0 -0.996 53.5-161.8-160.4 149.4 38.1 5.4 1.7 41 41 A V - 0 0 32 -2,-0.3 2,-0.4 -3,-0.1 5,-0.1 -0.995 25.1-131.1-136.5 138.2 37.4 4.9 5.5 42 42 A S > - 0 0 117 -2,-0.3 3,-0.7 3,-0.1 2,-0.1 -0.745 55.5 -24.3 -99.0 133.3 38.3 1.7 7.4 43 43 A G G > S- 0 0 26 -2,-0.4 3,-1.5 1,-0.2 4,-0.1 -0.402 116.6 -16.0 79.6-149.4 36.1 -0.3 9.8 44 44 A A G > S+ 0 0 58 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.754 122.3 73.9 -69.0 -28.1 33.1 1.0 11.7 45 45 A G G < S+ 0 0 53 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.612 78.6 76.7 -60.5 -13.8 34.1 4.7 11.1 46 46 A R G < S+ 0 0 41 -3,-1.5 20,-3.2 -5,-0.1 2,-0.5 0.678 89.4 71.1 -64.0 -21.6 32.9 4.4 7.5 47 47 A Y E < - B 0 65A 19 -3,-2.0 2,-0.4 18,-0.2 18,-0.2 -0.892 62.9-160.7-114.5 126.3 29.3 4.6 8.7 48 48 A L E - B 0 64A 14 16,-2.9 16,-2.7 -2,-0.5 2,-0.5 -0.847 17.5-139.4 -94.0 138.5 27.4 7.5 10.1 49 49 A L E - B 0 63A 39 -2,-0.4 -47,-2.2 14,-0.2 2,-0.6 -0.857 13.3-165.6-101.6 125.1 24.2 6.8 12.1 50 50 A M E -aB 2 62A 0 12,-2.8 12,-3.0 -2,-0.5 2,-0.7 -0.952 7.3-154.5-107.4 120.5 21.2 9.0 11.6 51 51 A H E -aB 3 61A 40 -49,-3.2 -47,-2.4 -2,-0.6 2,-0.4 -0.862 15.9-172.7 -95.9 112.6 18.5 8.8 14.2 52 52 A L E -aB 4 60A 0 8,-2.7 8,-2.0 -2,-0.7 2,-0.4 -0.929 5.2-162.1-110.8 136.3 15.2 9.8 12.7 53 53 A F E -aB 5 59A 40 -49,-2.4 -47,-2.6 -2,-0.4 6,-0.2 -0.933 10.7-139.8-121.3 129.2 12.0 10.2 14.7 54 54 A N > - 0 0 3 4,-3.0 3,-2.2 -2,-0.4 -47,-0.4 -0.235 41.7 -89.4 -76.4 174.1 8.5 10.2 13.3 55 55 A Y T 3 S+ 0 0 146 1,-0.3 -1,-0.1 -49,-0.2 -2,-0.0 0.837 129.3 53.2 -57.1 -31.9 5.8 12.6 14.7 56 56 A D T 3 S- 0 0 127 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.434 120.8-108.2 -81.9 -0.6 4.8 10.0 17.3 57 57 A G S < S+ 0 0 42 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.530 72.5 138.4 87.8 2.8 8.3 9.7 18.5 58 58 A N - 0 0 86 1,-0.0 -4,-3.0 -5,-0.0 2,-0.3 -0.560 37.8-151.5 -79.6 159.6 9.1 6.3 17.1 59 59 A T E -B 53 0A 53 -6,-0.2 18,-0.5 -2,-0.2 2,-0.3 -0.906 27.2-170.4-142.8 146.7 12.5 5.9 15.6 60 60 A I E -BC 52 76A 1 -8,-2.0 -8,-2.7 -2,-0.3 2,-0.5 -0.947 21.2-139.6-123.4 158.3 14.8 4.2 13.1 61 61 A T E -BC 51 75A 18 14,-1.7 14,-2.6 -2,-0.3 2,-0.4 -0.983 17.9-157.5-114.9 127.7 18.6 4.5 12.8 62 62 A V E -BC 50 74A 0 -12,-3.0 -12,-2.8 -2,-0.5 2,-0.5 -0.891 7.4-142.0-109.7 131.2 19.9 4.8 9.3 63 63 A A E -BC 49 73A 0 10,-2.6 9,-2.8 -2,-0.4 10,-0.9 -0.830 19.3-169.4 -95.6 127.7 23.5 3.8 8.4 64 64 A V E -BC 48 71A 3 -16,-2.7 -16,-2.9 -2,-0.5 2,-0.4 -0.969 25.0-125.2-123.5 130.5 25.1 6.1 5.8 65 65 A D E >>> -BC 47 70A 1 5,-2.7 4,-2.2 -2,-0.4 3,-1.0 -0.628 20.1-149.6 -74.9 121.4 28.5 5.4 4.1 66 66 A V T 345S+ 0 0 6 -20,-3.2 -28,-0.3 -2,-0.4 -1,-0.1 0.627 89.6 62.2 -76.1 -13.9 30.5 8.6 4.8 67 67 A T T 345S+ 0 0 0 -21,-0.3 175,-0.5 -30,-0.1 -1,-0.2 0.715 126.8 6.2 -77.1 -28.1 32.5 8.3 1.5 68 68 A N T <45S- 0 0 21 -3,-1.0 -2,-0.2 2,-0.1 3,-0.1 0.436 92.0-117.1-139.6 1.0 29.5 8.6 -0.8 69 69 A V T <5 + 0 0 1 -4,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.712 61.0 153.9 63.2 26.0 26.4 9.4 1.4 70 70 A Y E < -C 65 0A 110 -5,-0.5 -5,-2.7 89,-0.1 2,-0.5 -0.655 46.7-125.9 -81.1 131.5 24.8 6.1 0.2 71 71 A I E -C 64 0A 9 -2,-0.4 -7,-0.2 -7,-0.2 12,-0.1 -0.678 26.3-176.6 -74.2 133.8 22.3 4.7 2.7 72 72 A M E - 0 0 0 -9,-2.8 11,-2.2 -2,-0.5 2,-0.3 0.803 54.7 -54.2 -97.9 -35.9 23.4 1.1 3.5 73 73 A G E -CD 63 82A 0 -10,-0.9 -10,-2.6 9,-0.3 -1,-0.3 -0.952 49.2-125.8 172.9-174.2 20.5 -0.0 5.8 74 74 A Y E -CD 62 81A 2 7,-2.2 7,-2.6 -2,-0.3 2,-0.4 -0.980 12.2-124.3-158.4 159.7 18.6 0.9 8.9 75 75 A L E -CD 61 80A 37 -14,-2.6 -14,-1.7 -2,-0.3 2,-0.5 -0.931 19.3-175.8-113.4 129.6 17.6 -0.5 12.3 76 76 A A E > -CD 60 79A 2 3,-3.0 3,-1.9 -2,-0.4 2,-0.2 -0.944 65.8 -52.7-132.1 109.6 13.9 -0.6 13.3 77 77 A L T 3 S- 0 0 144 -18,-0.5 63,-0.0 -2,-0.5 -17,-0.0 -0.364 123.2 -18.8 55.1-121.9 13.4 -1.8 16.9 78 78 A T T 3 S+ 0 0 60 -2,-0.2 23,-1.6 21,-0.1 22,-1.4 0.373 121.6 85.5 -94.2 16.8 15.2 -5.2 17.0 79 79 A T E < -De 76 101A 9 -3,-1.9 -3,-3.0 20,-0.2 2,-0.3 -0.944 58.6-156.5-116.4 133.2 15.4 -5.8 13.3 80 80 A S E -De 75 102A 3 21,-2.3 23,-3.1 -2,-0.5 2,-0.4 -0.722 7.0-163.9 -99.2 152.8 18.1 -4.5 10.8 81 81 A Y E -De 74 103A 4 -7,-2.6 -7,-2.2 -2,-0.3 2,-0.4 -1.000 8.5-178.5-133.3 135.4 17.4 -4.2 7.1 82 82 A F E -De 73 104A 4 21,-2.0 23,-3.1 -2,-0.4 -9,-0.3 -0.969 31.9-101.2-135.0 149.6 20.2 -3.8 4.4 83 83 A F - 0 0 5 -11,-2.2 2,-1.7 -2,-0.4 25,-0.3 -0.289 38.2-110.3 -58.8 153.4 20.2 -3.3 0.7 84 84 A N S S+ 0 0 105 23,-2.9 -1,-0.1 20,-0.1 3,-0.1 -0.631 84.1 101.9 -87.5 75.4 20.9 -6.4 -1.4 85 85 A E S >> S- 0 0 40 -2,-1.7 4,-2.0 23,-0.1 3,-0.8 -0.981 81.9-110.1-153.6 154.7 24.4 -5.1 -2.6 86 86 A P H 3> S+ 0 0 118 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.873 113.8 55.5 -65.5 -33.0 28.0 -5.8 -1.6 87 87 A A H 3> S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.831 110.4 46.2 -63.9 -34.9 28.6 -2.5 0.1 88 88 A A H <> S+ 0 0 0 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.848 108.8 54.0 -76.2 -36.4 25.6 -3.0 2.4 89 89 A D H X S+ 0 0 97 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.942 109.8 49.3 -59.8 -43.0 26.5 -6.5 3.2 90 90 A L H >< S+ 0 0 70 -4,-2.4 3,-2.2 1,-0.2 4,-0.4 0.957 108.3 53.3 -57.7 -48.3 30.0 -5.2 4.2 91 91 A A H >X S+ 0 0 0 -4,-2.0 3,-2.2 1,-0.3 4,-2.2 0.863 97.8 65.3 -53.2 -37.1 28.2 -2.5 6.4 92 92 A S H 3< S+ 0 0 9 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.714 92.2 64.3 -66.3 -11.4 26.2 -5.2 8.1 93 93 A Q T << S+ 0 0 112 -3,-2.2 -1,-0.3 -4,-0.5 -2,-0.2 0.719 114.9 28.6 -76.2 -20.6 29.6 -6.4 9.5 94 94 A Y T <4 S+ 0 0 101 -3,-2.2 2,-0.3 -4,-0.4 3,-0.2 0.677 112.4 53.4-113.0 -33.1 29.9 -3.2 11.4 95 95 A V S < S+ 0 0 14 -4,-2.2 -1,-0.1 1,-0.2 -32,-0.0 -0.875 105.6 7.6-118.5 152.3 26.5 -1.7 12.3 96 96 A F S > S+ 0 0 22 -2,-0.3 3,-1.9 1,-0.1 -1,-0.2 0.724 70.8 148.8 59.5 26.3 23.4 -2.9 14.1 97 97 A R T 3 + 0 0 182 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.809 65.1 63.7 -59.6 -28.9 25.1 -6.1 15.1 98 98 A S T 3 S+ 0 0 118 2,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.523 75.9 119.2 -74.7 -2.8 23.0 -6.2 18.2 99 99 A A < - 0 0 21 -3,-1.9 -20,-0.2 1,-0.1 -21,-0.1 -0.312 69.4-131.4 -56.1 142.0 19.7 -6.6 16.2 100 100 A R S S+ 0 0 207 -22,-1.4 2,-0.3 1,-0.2 -21,-0.2 0.858 87.4 10.2 -66.2 -34.0 17.8 -9.8 16.9 101 101 A R E -e 79 0A 146 -23,-1.6 -21,-2.3 2,-0.0 2,-0.5 -0.983 65.6-141.9-145.9 157.3 17.5 -10.5 13.2 102 102 A K E -e 80 0A 100 -2,-0.3 2,-0.5 -23,-0.2 -21,-0.2 -0.976 13.3-167.3-121.5 117.0 18.8 -9.2 9.9 103 103 A I E -e 81 0A 31 -23,-3.1 -21,-2.0 -2,-0.5 2,-0.7 -0.868 12.8-146.7-103.6 132.9 16.7 -8.9 6.8 104 104 A T E -e 82 0A 68 -2,-0.5 -21,-0.2 -23,-0.2 -20,-0.1 -0.868 25.8-125.1 -93.1 124.5 18.3 -8.3 3.4 105 105 A L - 0 0 1 -23,-3.1 2,-0.7 -2,-0.7 -21,-0.0 -0.293 20.2-116.4 -64.4 151.2 15.9 -6.2 1.3 106 106 A P S S+ 0 0 78 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.203 91.9 44.6 -90.3 44.4 15.0 -7.7 -2.1 107 107 A Y S S- 0 0 16 -2,-0.7 -23,-2.9 -22,-0.0 -2,-0.1 -0.933 82.0-110.0-165.0 158.8 16.6 -4.9 -4.1 108 108 A S - 0 0 23 -2,-0.3 -23,-0.1 -25,-0.3 -26,-0.0 -0.278 39.1-104.1 -81.1 178.4 19.8 -2.8 -4.1 109 109 A G S S+ 0 0 18 -2,-0.1 -38,-0.1 4,-0.1 2,-0.1 0.397 76.7 117.1 -90.1 -0.7 19.8 0.8 -3.2 110 110 A N S > S- 0 0 64 1,-0.1 4,-2.6 4,-0.0 5,-0.3 -0.405 72.7-118.8 -75.5 156.7 20.1 2.4 -6.6 111 111 A Y H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.871 110.8 54.9 -59.6 -37.8 17.3 4.6 -7.9 112 112 A E H > S+ 0 0 111 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.951 112.5 42.4 -64.0 -44.0 16.5 2.4 -10.9 113 113 A R H > S+ 0 0 145 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.870 113.4 51.7 -68.4 -40.9 16.0 -0.8 -8.7 114 114 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.875 108.0 51.9 -64.7 -37.1 14.0 1.0 -6.0 115 115 A Q H X>S+ 0 0 35 -4,-2.3 4,-1.6 -5,-0.3 5,-1.2 0.888 109.1 50.4 -66.8 -40.7 11.6 2.6 -8.6 116 116 A I H <5S+ 0 0 122 -4,-1.8 -2,-0.2 -5,-0.2 3,-0.2 0.949 113.9 45.2 -59.0 -49.4 11.0 -0.9 -10.1 117 117 A A H <5S+ 0 0 29 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.893 115.2 47.0 -59.9 -41.0 10.2 -2.3 -6.5 118 118 A A H <5S- 0 0 22 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.717 106.7-128.3 -76.9 -23.3 8.0 0.7 -5.6 119 119 A G T <5S+ 0 0 65 -4,-1.6 -3,-0.2 -3,-0.2 -4,-0.1 0.627 78.7 69.9 86.1 9.7 6.1 0.5 -8.9 120 120 A K S - 0 0 53 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.428 38.4-110.8 -76.9 163.3 9.5 6.6 -10.8 122 122 A R G > S+ 0 0 6 1,-0.3 3,-1.4 2,-0.2 64,-0.0 0.764 110.4 77.4 -76.3 -12.3 10.4 9.2 -8.3 123 123 A E G 3 S+ 0 0 96 1,-0.2 -1,-0.3 57,-0.1 57,-0.1 0.736 101.7 44.0 -50.7 -27.0 8.9 12.0 -10.6 124 124 A K G < S+ 0 0 149 -3,-1.9 -1,-0.2 56,-0.1 -2,-0.2 0.449 93.3 90.9-104.2 1.7 5.6 10.7 -9.3 125 125 A I S < S- 0 0 16 -3,-1.4 54,-0.1 -4,-0.3 -1,-0.0 -0.842 73.6-132.1-104.5 113.3 6.4 10.3 -5.6 126 126 A P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 54,-0.3 -0.307 24.3-164.6 -61.3 145.0 5.7 13.4 -3.4 127 127 A I B +H 179 0D 1 52,-2.0 52,-2.4 50,-0.1 2,-0.3 -0.857 29.3 105.4-128.6 166.7 8.5 14.4 -1.0 128 128 A G S > S- 0 0 0 -2,-0.3 4,-1.7 50,-0.2 47,-0.2 -0.886 81.7 -67.0 147.6 175.9 8.6 16.7 2.0 129 129 A L H > S+ 0 0 5 45,-2.1 4,-2.5 42,-0.4 5,-0.2 0.905 131.9 52.2 -72.7 -39.6 8.7 16.5 5.7 130 130 A P H > S+ 0 0 46 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.938 110.1 50.3 -58.0 -40.7 5.2 14.9 5.9 131 131 A A H > S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.857 108.3 52.9 -63.2 -35.3 6.4 12.3 3.4 132 132 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.912 106.2 52.3 -70.8 -39.1 9.5 11.7 5.6 133 133 A D H X S+ 0 0 41 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.949 111.8 46.5 -57.2 -43.1 7.3 11.1 8.6 134 134 A T H X S+ 0 0 79 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.882 110.5 53.9 -63.5 -38.2 5.3 8.5 6.6 135 135 A A H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.932 108.4 48.0 -68.7 -42.4 8.6 7.0 5.3 136 136 A I H X S+ 0 0 1 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.939 113.0 49.3 -60.4 -47.3 9.9 6.5 8.9 137 137 A S H >< S+ 0 0 44 -4,-2.3 3,-0.6 -5,-0.2 4,-0.4 0.888 110.5 50.0 -58.5 -42.2 6.5 5.0 9.9 138 138 A T H >< S+ 0 0 45 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.897 107.5 54.3 -63.0 -42.9 6.5 2.6 6.9 139 139 A L H 3< S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.714 89.4 78.3 -67.3 -15.3 10.1 1.4 7.7 140 140 A L T << S+ 0 0 29 -4,-1.0 2,-0.4 -3,-0.6 -1,-0.2 0.765 102.8 32.6 -69.5 -25.7 9.1 0.5 11.2 141 141 A H S < S- 0 0 146 -3,-1.2 -1,-0.2 -4,-0.4 6,-0.1 -0.976 99.6-101.5-134.5 132.0 7.5 -2.7 10.1 142 142 A Y + 0 0 98 -2,-0.4 2,-0.2 -3,-0.1 -3,-0.1 -0.036 54.6 141.5 -59.5 133.5 8.7 -4.7 7.1 143 143 A D > - 0 0 87 1,-0.1 4,-3.0 -5,-0.1 5,-0.2 -0.732 33.2-158.0-162.9 105.3 6.8 -4.5 3.9 144 144 A S H > S+ 0 0 33 -2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.868 90.3 47.6 -69.8 -39.7 9.3 -4.5 0.9 145 145 A T H > S+ 0 0 86 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.945 117.4 42.0 -58.7 -45.9 7.1 -2.9 -1.7 146 146 A A H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.900 112.2 56.9 -67.1 -39.0 6.0 -0.0 0.7 147 147 A A H X S+ 0 0 2 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.837 98.5 59.8 -66.2 -35.4 9.7 0.2 2.0 148 148 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.936 109.8 42.1 -57.7 -42.9 11.0 0.9 -1.6 149 149 A G H X S+ 0 0 18 -4,-1.0 4,-2.2 -3,-0.3 -2,-0.2 0.912 114.0 52.1 -67.0 -41.4 8.9 4.1 -1.9 150 150 A A H X S+ 0 0 7 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.876 109.8 50.3 -59.5 -43.4 9.7 5.0 1.7 151 151 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.891 105.3 55.1 -69.8 -36.4 13.4 4.6 0.9 152 152 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.925 113.3 43.6 -58.7 -42.1 13.1 6.8 -2.2 153 153 A V H X S+ 0 0 8 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.942 114.2 49.2 -66.6 -46.3 11.7 9.5 0.0 154 154 A L H X S+ 0 0 0 -4,-2.8 4,-0.8 2,-0.2 5,-0.3 0.925 110.3 49.4 -61.3 -42.5 14.3 9.0 2.8 155 155 A I H ><>S+ 0 0 17 -4,-3.0 5,-2.1 1,-0.2 3,-0.7 0.929 114.5 45.8 -65.5 -42.3 17.3 9.1 0.4 156 156 A Q H 3<>S+ 0 0 0 -4,-1.7 5,-0.7 -5,-0.3 -1,-0.2 0.827 114.0 46.8 -69.2 -38.9 16.1 12.3 -1.3 157 157 A T H 3<5S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.472 128.1 22.4 -83.9 -4.7 15.2 14.1 2.0 158 158 A T T 5S+ 0 0 2 -5,-0.3 4,-2.2 1,-0.2 -3,-0.2 0.878 124.2 45.9 -56.3 -47.0 21.4 12.4 1.4 160 160 A E H > S+ 0 0 79 71,-2.7 4,-2.4 -2,-0.4 5,-0.2 0.883 100.3 58.8 -53.7 -39.9 21.6 23.3 -1.2 166 166 A Y H > S+ 0 0 35 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 106.5 47.9 -56.9 -39.3 18.8 23.6 -3.8 167 167 A I H > S+ 0 0 0 -3,-0.3 4,-2.2 -7,-0.3 -6,-0.2 0.938 108.8 53.2 -72.1 -39.5 17.4 20.2 -2.7 168 168 A E H X S+ 0 0 22 -4,-2.1 4,-2.7 -7,-0.5 -2,-0.2 0.932 111.1 47.2 -53.8 -47.1 17.5 21.2 1.0 169 169 A Q H X S+ 0 0 70 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.872 107.4 56.2 -65.4 -39.7 15.5 24.4 0.1 170 170 A Q H < S+ 0 0 21 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.895 109.9 45.9 -57.5 -42.7 13.0 22.3 -1.9 171 171 A I H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 -42,-0.4 0.898 108.7 55.6 -67.6 -41.0 12.4 20.1 1.2 172 172 A Q H >< S+ 0 0 49 -4,-2.7 3,-1.1 1,-0.3 -2,-0.2 0.861 104.2 53.9 -57.5 -34.2 12.1 23.2 3.4 173 173 A E T 3< S+ 0 0 137 -4,-1.8 3,-0.3 1,-0.3 -1,-0.3 0.666 109.1 51.0 -71.5 -17.6 9.4 24.5 1.0 174 174 A R T < S+ 0 0 6 -3,-1.4 -45,-2.1 -4,-0.4 -1,-0.3 -0.165 70.9 122.0-111.5 38.2 7.6 21.2 1.6 175 175 A A S < S+ 0 0 8 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.809 92.5 13.7 -73.2 -28.0 7.8 21.4 5.4 176 176 A Y S S+ 0 0 166 1,-0.3 2,-0.3 -3,-0.3 -1,-0.2 0.348 130.8 43.2-129.0 5.2 3.9 21.1 5.7 177 177 A R S S- 0 0 186 -50,-0.1 -1,-0.3 -4,-0.1 -50,-0.1 -0.879 74.9-135.0-156.6 114.2 2.8 20.0 2.2 178 178 A D + 0 0 51 -2,-0.3 2,-0.3 -50,-0.1 -50,-0.2 -0.298 25.1 174.7 -64.7 153.4 4.4 17.3 0.1 179 179 A E B -H 127 0D 97 -52,-2.4 -52,-2.0 -54,-0.1 3,-0.1 -0.963 38.9 -95.4-155.8 147.1 5.0 17.8 -3.6 180 180 A V - 0 0 57 -2,-0.3 -57,-0.1 -54,-0.3 -56,-0.1 -0.212 58.8 -90.2 -57.9 150.9 6.7 15.7 -6.3 181 181 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -56,-0.0 -0.372 44.5-105.2 -66.1 145.7 10.4 16.8 -6.8 182 182 A S > - 0 0 29 1,-0.1 4,-1.9 -3,-0.1 3,-0.3 -0.238 29.7-111.0 -58.9 155.6 11.1 19.6 -9.4 183 183 A S H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 33,-0.2 0.857 122.2 56.8 -57.3 -32.0 12.6 18.4 -12.7 184 184 A A H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.888 102.4 54.1 -69.0 -39.4 15.8 20.3 -11.5 185 185 A T H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.946 110.3 45.6 -57.2 -52.6 15.9 18.2 -8.3 186 186 A I H X S+ 0 0 9 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.918 111.5 53.6 -57.7 -42.3 15.9 15.0 -10.3 187 187 A S H X S+ 0 0 16 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.914 109.9 46.6 -58.1 -48.5 18.5 16.4 -12.6 188 188 A L H X S+ 0 0 7 -4,-2.6 4,-0.5 2,-0.2 3,-0.5 0.918 110.9 52.0 -65.1 -47.0 20.9 17.3 -9.7 189 189 A E H >< S+ 0 0 11 -4,-2.5 3,-0.9 1,-0.3 4,-0.3 0.921 112.5 46.1 -55.2 -43.6 20.5 13.9 -8.1 190 190 A N H 3< S+ 0 0 93 -4,-2.3 4,-0.3 1,-0.2 -1,-0.3 0.738 115.5 46.8 -72.2 -22.0 21.3 12.2 -11.3 191 191 A S H 3X S+ 0 0 19 -4,-1.3 4,-3.6 -3,-0.5 5,-0.3 0.292 78.0 101.4-100.8 6.5 24.3 14.5 -12.0 192 192 A W H S+ 0 0 45 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.952 116.4 48.4 -67.2 -48.4 28.7 11.9 -9.6 194 194 A G H > S+ 0 0 32 -4,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.918 115.6 45.0 -54.2 -52.8 29.2 13.7 -13.0 195 195 A L H X S+ 0 0 1 -4,-3.6 4,-2.5 2,-0.2 -1,-0.2 0.901 110.0 52.7 -60.3 -44.2 29.5 17.0 -11.3 196 196 A S H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.3 -2,-0.2 0.919 112.7 47.2 -58.5 -41.3 31.8 15.8 -8.5 197 197 A K H X S+ 0 0 83 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.934 111.8 47.5 -67.7 -49.3 34.1 14.4 -11.2 198 198 A Q H X S+ 0 0 12 -4,-2.4 4,-1.9 2,-0.2 12,-0.2 0.862 110.3 53.3 -64.7 -35.2 34.2 17.6 -13.5 199 199 A I H X S+ 0 0 0 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.908 111.5 45.2 -66.1 -42.9 34.8 19.8 -10.5 200 200 A Q H >< S+ 0 0 25 -4,-1.8 3,-1.0 -5,-0.2 -2,-0.2 0.908 113.1 50.1 -65.9 -36.3 37.8 17.7 -9.5 201 201 A L H 3< S+ 0 0 59 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.792 97.5 69.5 -73.0 -27.2 39.1 17.6 -13.1 202 202 A A H ><>S+ 0 0 0 -4,-1.9 5,-2.8 -5,-0.2 3,-2.0 0.746 79.7 84.0 -59.7 -28.7 38.7 21.4 -13.4 203 203 A Q T <<5S+ 0 0 137 -3,-1.0 -172,-0.0 -4,-0.6 -4,-0.0 -0.727 101.5 26.6 -71.7 109.4 41.6 21.6 -10.9 204 204 A G T 3 5S+ 0 0 55 -2,-0.9 -1,-0.3 0, 0.0 -2,-0.1 0.281 116.0 67.6 114.4 -6.6 44.3 21.2 -13.6 205 205 A N T X 5S- 0 0 37 -3,-2.0 3,-1.6 3,-0.0 -2,-0.2 0.071 115.2-100.1-138.8 26.6 42.2 22.7 -16.3 206 206 A N T 3 5S- 0 0 158 1,-0.3 -3,-0.2 -4,-0.1 3,-0.1 0.800 81.2 -54.4 60.9 37.2 41.9 26.3 -15.1 207 207 A G T 3 - 0 0 50 4,-3.7 3,-2.9 -2,-0.5 -33,-0.2 -0.312 29.6 -90.0 -89.0 176.4 17.2 24.5 -14.2 218 218 A S T 3 S+ 0 0 90 1,-0.3 -1,-0.1 2,-0.1 -35,-0.1 0.514 127.0 55.6 -54.3 -6.5 14.6 25.9 -11.6 219 219 A K T 3 S- 0 0 165 2,-0.2 -1,-0.3 -36,-0.0 3,-0.1 0.348 120.0-105.6-114.1 -4.2 12.6 27.0 -14.6 220 220 A G S < S+ 0 0 50 -3,-2.9 2,-0.3 1,-0.3 -2,-0.1 0.430 80.4 130.1 87.7 1.5 12.3 23.6 -16.4 221 221 A N - 0 0 99 -5,-0.0 -4,-3.7 1,-0.0 2,-1.1 -0.731 63.3-116.9 -96.5 142.3 14.8 24.7 -19.0 222 222 A R E -J 216 0F 156 -2,-0.3 -6,-0.2 -6,-0.3 2,-0.1 -0.612 37.5-176.9 -86.1 89.9 17.9 22.6 -20.0 223 223 A V E -J 215 0F 52 -8,-1.3 -8,-2.2 -2,-1.1 2,-0.5 -0.302 20.6-132.6 -78.9 162.4 21.2 24.4 -19.2 224 224 A Q E -J 214 0F 102 -10,-0.2 2,-0.6 -2,-0.1 -10,-0.2 -0.973 12.1-151.9-121.9 125.6 24.8 23.4 -19.8 225 225 A I E +J 213 0F 9 -12,-2.9 -12,-2.4 -2,-0.5 3,-0.1 -0.878 26.5 158.6-105.2 119.8 27.5 23.6 -17.0 226 226 A T E + 0 0 59 -2,-0.6 -17,-2.7 -14,-0.2 2,-0.3 0.586 55.3 16.3-118.1 -15.7 31.0 24.1 -18.4 227 227 A N E > S-J 208 0F 45 -19,-0.3 3,-1.4 -17,-0.0 -19,-0.2 -0.953 79.3 -93.3-156.3 170.6 33.1 25.6 -15.6 228 228 A V T 3 S+ 0 0 22 -21,-2.7 -20,-0.1 -2,-0.3 -21,-0.1 0.510 108.9 74.0 -70.3 -6.8 33.5 26.3 -11.9 229 229 A T T 3 S+ 0 0 109 -22,-0.2 -1,-0.3 4,-0.1 -21,-0.1 0.590 71.9 111.6 -81.2 -7.4 31.9 29.8 -12.1 230 230 A S S X> S- 0 0 25 -3,-1.4 4,-2.2 1,-0.1 3,-0.8 -0.251 80.4-120.3 -70.2 145.4 28.5 28.3 -12.6 231 231 A N H 3>>S+ 0 0 124 1,-0.2 4,-2.2 2,-0.2 5,-1.4 0.843 112.1 65.4 -55.2 -34.0 25.9 28.8 -9.8 232 232 A V H 34>S+ 0 0 19 3,-0.2 5,-2.7 1,-0.2 -1,-0.2 0.902 112.0 35.3 -54.3 -36.9 25.7 24.9 -9.4 233 233 A V H <45S+ 0 0 6 -3,-0.8 -2,-0.2 -6,-0.2 -1,-0.2 0.882 121.6 42.8 -85.5 -39.7 29.4 25.0 -8.3 234 234 A T H <5S+ 0 0 86 -4,-2.2 -3,-0.2 1,-0.1 -2,-0.2 0.786 134.0 8.2 -80.6 -23.0 29.6 28.3 -6.3 235 235 A S T <5S+ 0 0 45 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.1 0.768 124.3 42.3-127.7 -38.6 26.3 28.0 -4.4 236 236 A N T - 0 0 11 -175,-0.5 3,-1.6 -2,-0.4 -45,-0.1 -0.347 16.8-129.6 -57.8 132.8 36.0 11.5 -4.6 243 243 A T G > S+ 0 0 56 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.750 106.9 72.2 -57.7 -21.7 37.0 10.6 -8.2 244 244 A K G 3 S+ 0 0 161 1,-0.3 -1,-0.3 2,-0.2 -206,-0.0 0.867 99.1 47.5 -56.1 -35.6 38.7 7.5 -6.7 245 245 A N G < 0 0 70 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.269 360.0 360.0 -89.5 12.5 35.1 6.2 -6.2 246 246 A I < 0 0 80 -3,-1.6 -2,-0.2 -4,-0.1 -1,-0.1 0.786 360.0 360.0-116.1 360.0 34.0 7.1 -9.8