==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-JUN-03 1PQY . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YFDW; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.GOGOS,J.GORMAN,L.SHAPIRO,S.K.BURLEY,NEW YORK SGX RESEARCH . 412 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21334.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 4.1 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 24 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 3 1 1 4 2 0 0 1 1 3 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 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 PARALLEL BRIDGES PER LADDER . 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 3 A L 0 0 151 0, 0.0 2,-0.3 0, 0.0 374,-0.1 0.000 360.0 360.0 360.0 -87.5 63.4 19.2 3.3 2 4 A S - 0 0 79 372,-0.2 3,-0.1 3,-0.0 28,-0.0 -0.983 360.0-157.9-146.6 149.6 59.8 18.8 3.0 3 5 A T > - 0 0 44 -2,-0.3 3,-1.3 1,-0.1 27,-0.1 -0.967 25.5-122.5-132.3 144.6 57.6 15.9 3.8 4 6 A P T 3 S+ 0 0 76 0, 0.0 26,-0.2 0, 0.0 -1,-0.1 0.897 113.9 25.8 -52.3 -49.4 54.1 14.9 2.5 5 7 A L T > S+ 0 0 16 24,-2.9 3,-2.6 21,-0.2 27,-0.2 0.077 86.7 154.7-105.8 24.2 52.4 14.9 5.9 6 8 A Q T < S+ 0 0 127 -3,-1.3 25,-0.2 23,-0.3 3,-0.1 -0.285 71.3 15.7 -53.9 123.7 54.8 17.4 7.5 7 9 A G T 3 S+ 0 0 66 23,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.288 92.3 132.1 94.3 -11.8 53.1 19.1 10.4 8 10 A I < - 0 0 24 -3,-2.6 24,-3.0 22,-0.1 2,-0.5 -0.598 43.8-153.0 -77.6 133.2 50.2 16.6 10.6 9 11 A K E -a 32 0A 53 -2,-0.3 82,-2.4 22,-0.2 83,-2.1 -0.932 8.2-162.4-111.4 130.1 49.5 15.4 14.1 10 12 A V E -ab 33 92A 0 22,-2.8 24,-2.7 -2,-0.5 2,-0.8 -0.945 14.7-153.0-119.5 130.7 48.0 12.0 14.7 11 13 A L E -ab 34 93A 4 81,-4.2 83,-2.8 -2,-0.5 2,-0.7 -0.854 25.3-165.7 -96.4 105.6 46.2 10.7 17.8 12 14 A D E +ab 35 94A 0 22,-2.6 24,-2.7 -2,-0.8 83,-0.2 -0.814 31.2 155.8-110.1 106.9 46.8 6.9 17.6 13 15 A F + 0 0 43 81,-2.8 83,-0.2 -2,-0.7 82,-0.2 0.342 40.4 128.1 -99.4 2.2 44.8 4.4 19.8 14 16 A T - 0 0 5 80,-0.4 2,-0.3 81,-0.1 29,-0.1 -0.226 35.6-171.3 -69.2 153.3 45.3 1.5 17.4 15 17 A G > + 0 0 16 81,-0.1 4,-0.5 28,-0.1 2,-0.4 -0.933 45.9 10.1-140.8 159.4 46.6 -1.9 18.4 16 18 A V T 4 S- 0 0 38 -2,-0.3 27,-0.0 1,-0.2 -2,-0.0 -0.591 107.4 -45.0 73.2-124.3 47.7 -5.1 16.9 17 19 A Q T > S+ 0 0 36 -2,-0.4 4,-2.8 3,-0.1 5,-0.3 0.848 119.0 54.9-110.9 -59.2 48.2 -5.0 13.1 18 20 A S H > S+ 0 0 7 1,-0.2 4,-1.3 2,-0.2 -2,-0.1 0.903 117.6 35.3 -44.7 -61.4 45.5 -3.3 10.9 19 21 A G H X S+ 0 0 0 -4,-0.5 4,-2.0 1,-0.2 3,-0.4 0.929 118.0 50.8 -62.3 -48.9 45.5 0.1 12.7 20 22 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.807 104.8 57.7 -60.6 -31.7 49.3 0.2 13.5 21 23 A S H X S+ 0 0 5 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.903 108.1 48.7 -65.6 -37.8 50.2 -0.6 9.8 22 24 A C H X S+ 0 0 0 -4,-1.3 4,-1.8 -3,-0.4 3,-0.2 0.953 113.9 42.4 -66.2 -52.5 48.2 2.5 8.8 23 25 A T H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.758 106.6 62.3 -69.7 -23.3 49.7 4.9 11.3 24 26 A Q H X S+ 0 0 11 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.925 106.9 46.4 -66.2 -39.9 53.2 3.6 10.7 25 27 A X H X S+ 0 0 9 -4,-1.3 4,-1.5 -3,-0.2 -2,-0.2 0.913 107.6 55.9 -65.7 -43.3 52.8 4.7 7.1 26 28 A L H <>S+ 0 0 0 -4,-1.8 5,-2.3 1,-0.2 3,-0.3 0.911 109.7 47.6 -55.1 -42.5 51.5 8.1 8.3 27 29 A A H ><5S+ 0 0 9 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.911 108.5 52.6 -65.4 -44.7 54.7 8.5 10.3 28 30 A W H 3<5S+ 0 0 9 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.720 104.8 57.4 -64.9 -20.6 56.9 7.5 7.4 29 31 A F T 3<5S- 0 0 16 -4,-1.5 -24,-2.9 -3,-0.3 -23,-0.3 0.400 132.6 -91.7 -88.9 1.7 55.2 10.2 5.3 30 32 A G T < 5S+ 0 0 28 -3,-2.0 -23,-0.6 1,-0.3 -3,-0.2 0.390 80.0 136.0 108.6 -3.3 56.2 12.8 7.9 31 33 A A < - 0 0 8 -5,-2.3 2,-0.9 -6,-0.2 -1,-0.3 -0.407 58.7-118.5 -77.6 154.0 53.3 12.9 10.4 32 34 A D E -a 9 0A 54 -24,-3.0 -22,-2.8 -27,-0.2 2,-0.7 -0.833 34.4-164.8 -92.4 105.1 53.9 13.0 14.1 33 35 A V E -a 10 0A 0 -2,-0.9 35,-2.7 33,-0.5 2,-0.7 -0.844 5.5-164.2 -99.3 116.1 52.1 9.9 15.3 34 36 A I E -ac 11 68A 10 -24,-2.7 -22,-2.6 -2,-0.7 2,-0.6 -0.873 9.1-150.4-103.4 108.6 51.5 9.7 19.0 35 37 A K E -ac 12 69A 2 33,-3.2 35,-2.5 -2,-0.7 2,-0.7 -0.666 9.2-154.0 -79.1 118.5 50.6 6.2 20.2 36 38 A I E + c 0 70A 15 -24,-2.7 2,-0.3 -2,-0.6 35,-0.2 -0.866 22.9 178.9 -97.6 115.3 48.3 6.5 23.2 37 39 A E E - c 0 71A 8 33,-2.8 35,-2.2 -2,-0.7 3,-0.1 -0.853 34.8 -98.2-124.0 155.8 48.7 3.4 25.4 38 40 A R >> - 0 0 73 -2,-0.3 3,-1.4 33,-0.2 4,-1.0 -0.437 54.5 -99.2 -65.6 135.1 47.3 1.9 28.7 39 41 A P T 34 S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 32,-0.0 -0.364 102.9 0.9 -60.5 126.8 49.7 2.6 31.6 40 42 A G T 34 S+ 0 0 66 1,-0.1 -2,-0.1 -2,-0.1 345,-0.0 0.239 134.3 54.2 81.5 -13.9 51.9 -0.5 32.3 41 43 A V T <4 + 0 0 86 -3,-1.4 -1,-0.1 5,-0.0 5,-0.1 0.757 69.9 166.1-113.8 -68.6 50.4 -2.6 29.5 42 44 A G < - 0 0 8 -4,-1.0 5,-0.1 4,-0.1 -5,-0.1 -0.011 54.9 -7.2 72.7 178.3 50.5 -0.9 26.1 43 45 A D > - 0 0 13 1,-0.2 3,-2.3 -29,-0.1 4,-0.4 -0.138 65.1-131.0 -45.0 128.2 49.9 -2.4 22.7 44 46 A V G >> S+ 0 0 54 1,-0.3 3,-1.7 2,-0.2 4,-0.9 0.803 104.3 71.2 -56.4 -29.3 49.5 -6.2 23.0 45 47 A T G 34 S+ 0 0 0 1,-0.3 15,-0.6 2,-0.2 12,-0.4 0.762 83.5 72.4 -59.7 -22.2 52.0 -6.7 20.2 46 48 A R G <4 S+ 0 0 7 -3,-2.3 11,-1.6 1,-0.2 -1,-0.3 0.864 112.4 24.8 -60.6 -34.0 54.6 -5.5 22.7 47 49 A H T X4 S+ 0 0 93 -3,-1.7 3,-0.5 -4,-0.4 2,-0.4 0.404 98.6 102.7-113.9 4.1 54.3 -8.8 24.5 48 50 A Q T 3< S- 0 0 78 -4,-0.9 11,-0.4 1,-0.2 12,-0.2 -0.752 93.8 -5.1 -95.0 133.6 53.0 -11.3 21.9 49 51 A L T 3 S- 0 0 149 -2,-0.4 9,-0.4 1,-0.2 -1,-0.2 0.829 83.2-173.9 61.3 36.5 55.4 -13.8 20.2 50 52 A R < - 0 0 102 -3,-0.5 -1,-0.2 1,-0.1 7,-0.1 -0.301 22.5-170.7 -62.2 145.2 58.5 -12.4 21.9 51 53 A D S S+ 0 0 89 1,-0.2 -1,-0.1 4,-0.1 6,-0.1 0.474 79.0 46.2-110.2 -13.9 61.8 -13.8 20.8 52 54 A I S > S- 0 0 58 3,-0.3 3,-1.1 4,-0.0 -1,-0.2 -0.998 96.8-104.4-132.2 133.5 63.7 -12.1 23.6 53 55 A P T 3 S- 0 0 102 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.316 91.7 -6.5 -62.3 135.5 62.5 -12.0 27.3 54 56 A D T 3 S+ 0 0 142 1,-0.1 2,-0.3 -7,-0.1 3,-0.0 0.423 107.0 102.3 62.8 4.3 61.0 -8.8 28.7 55 57 A I S < S- 0 0 28 -3,-1.1 -3,-0.3 1,-0.1 -1,-0.1 -0.858 85.5 -75.7-117.3 159.5 61.6 -6.6 25.6 56 58 A D - 0 0 24 -2,-0.3 -9,-0.2 1,-0.1 -10,-0.2 -0.125 54.5-116.9 -47.5 133.4 59.2 -5.4 22.9 57 59 A A >> - 0 0 0 -11,-1.6 4,-2.1 -12,-0.4 3,-1.3 -0.268 17.5-114.6 -72.1 158.4 58.4 -8.2 20.4 58 60 A L H 3> S+ 0 0 56 -9,-0.4 4,-2.0 1,-0.3 5,-0.1 0.797 116.8 70.3 -62.7 -27.6 59.2 -8.0 16.7 59 61 A Y H 34 S+ 0 0 61 -11,-0.4 -1,-0.3 -14,-0.2 -13,-0.2 0.862 107.7 36.8 -54.0 -35.8 55.5 -8.0 16.3 60 62 A F H X> S+ 0 0 0 -3,-1.3 3,-1.9 -15,-0.6 4,-0.8 0.943 113.5 51.5 -83.3 -54.2 55.6 -4.5 17.8 61 63 A T H 3< S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.736 107.7 55.1 -59.2 -23.9 58.8 -3.1 16.4 62 64 A X T 3< S+ 0 0 69 -4,-2.0 -1,-0.3 -5,-0.2 304,-0.3 0.524 116.0 36.3 -88.1 -5.4 57.8 -4.0 12.8 63 65 A L T <4 S+ 0 0 18 -3,-1.9 -2,-0.2 -5,-0.1 -39,-0.2 0.312 117.1 50.0-124.9 4.3 54.5 -2.1 13.0 64 66 A N >< + 0 0 0 -4,-0.8 3,-1.0 -3,-0.1 -2,-0.1 0.022 65.8 143.8-137.5 33.7 55.5 0.9 15.2 65 67 A S T 3 S+ 0 0 0 1,-0.2 317,-0.2 317,-0.2 316,-0.2 -0.449 73.4 13.9 -73.0 147.0 58.6 2.5 13.8 66 68 A N T 3 S+ 0 0 39 315,-1.6 -33,-0.5 1,-0.2 -1,-0.2 0.559 98.0 126.3 67.0 9.6 58.9 6.3 14.0 67 69 A K < - 0 0 6 -3,-1.0 2,-0.3 314,-0.2 -1,-0.2 -0.590 53.5-135.2 -96.5 161.2 56.0 6.6 16.4 68 70 A R E -c 34 0A 34 -35,-2.7 -33,-3.2 -2,-0.2 2,-0.4 -0.789 18.1-143.1-109.1 157.4 56.0 8.3 19.8 69 71 A S E +c 35 0A 0 -2,-0.3 319,-2.5 -35,-0.2 320,-0.4 -0.980 19.3 173.8-131.3 132.3 54.5 6.7 22.9 70 72 A I E -c 36 0A 7 -35,-2.5 -33,-2.8 -2,-0.4 2,-0.6 -0.980 25.5-137.5-130.7 142.8 52.6 8.1 25.9 71 73 A E E +c 37 0A 63 -2,-0.4 2,-0.4 315,-0.2 -33,-0.2 -0.900 33.4 176.0 -98.9 122.1 50.9 6.2 28.7 72 74 A L - 0 0 20 -35,-2.2 2,-1.0 -2,-0.6 3,-0.1 -0.981 29.6-153.3-138.3 129.2 47.5 7.8 29.4 73 75 A N > - 0 0 60 -2,-0.4 3,-0.7 1,-0.2 6,-0.4 -0.820 11.1-174.2 -98.1 96.9 44.7 7.0 31.8 74 76 A T T 3 S+ 0 0 76 -2,-1.0 -1,-0.2 1,-0.2 9,-0.0 0.640 77.4 68.0 -65.0 -15.9 41.6 8.4 30.1 75 77 A K T 3 S+ 0 0 77 4,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.872 85.4 79.0 -74.7 -38.7 39.5 7.4 33.2 76 78 A T S <> S- 0 0 48 -3,-0.7 4,-1.9 1,-0.1 5,-0.1 -0.147 87.3-120.2 -67.1 169.2 41.1 9.9 35.5 77 79 A A H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.881 116.5 52.5 -73.6 -39.2 40.2 13.6 35.6 78 80 A E H > S+ 0 0 61 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.873 112.4 45.9 -60.2 -42.2 43.9 14.4 34.7 79 81 A G H > S+ 0 0 2 -6,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.877 109.4 53.6 -72.0 -39.4 43.7 12.0 31.8 80 82 A K H X S+ 0 0 63 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.890 110.4 47.9 -62.0 -40.2 40.4 13.4 30.7 81 83 A E H X S+ 0 0 108 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.855 112.7 48.4 -70.1 -36.5 41.9 17.0 30.7 82 84 A V H X S+ 0 0 3 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.888 108.1 56.0 -69.3 -39.6 45.0 15.8 28.7 83 85 A X H X S+ 0 0 6 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.946 106.7 47.4 -59.0 -51.6 42.8 14.0 26.2 84 86 A E H X S+ 0 0 59 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.869 110.4 53.2 -59.9 -36.9 40.7 17.0 25.3 85 87 A K H X S+ 0 0 81 -4,-1.4 4,-1.1 2,-0.2 -1,-0.2 0.893 110.8 47.8 -64.6 -38.2 43.9 19.1 24.9 86 88 A L H >X S+ 0 0 9 -4,-2.1 4,-1.3 1,-0.2 3,-0.7 0.954 110.1 51.0 -66.4 -48.7 45.3 16.4 22.5 87 89 A I H 3< S+ 0 0 3 -4,-2.8 3,-0.2 1,-0.2 -2,-0.2 0.859 106.1 56.1 -56.6 -39.2 42.0 16.3 20.5 88 90 A R H 3< S+ 0 0 122 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.818 113.8 39.0 -63.4 -33.6 42.0 20.1 20.1 89 91 A E H << S+ 0 0 130 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.588 98.2 102.0 -93.2 -12.6 45.5 20.1 18.5 90 92 A A < - 0 0 4 -4,-1.3 -80,-0.2 -3,-0.2 3,-0.1 -0.384 48.6-166.7 -81.8 152.3 45.2 16.9 16.4 91 93 A D S S+ 0 0 26 -82,-2.4 25,-2.3 1,-0.3 2,-0.3 0.741 80.2 23.6 -98.1 -35.2 44.6 16.5 12.7 92 94 A I E -bd 10 116A 0 -83,-2.1 -81,-4.2 23,-0.2 2,-0.4 -0.996 55.8-168.2-141.0 141.1 43.8 12.8 12.8 93 95 A L E -bd 11 117A 9 23,-2.3 25,-3.4 -2,-0.3 2,-0.4 -0.997 15.8-171.4-127.1 128.9 42.5 10.3 15.4 94 96 A V E +bd 12 118A 0 -83,-2.8 -81,-2.8 -2,-0.4 -80,-0.4 -0.976 10.6 163.0-128.2 136.5 42.7 6.5 14.7 95 97 A E E - d 0 119A 22 23,-1.9 25,-2.2 -2,-0.4 -81,-0.1 -0.993 20.7-177.8-147.6 150.8 41.3 3.5 16.5 96 98 A N + 0 0 26 -2,-0.3 -77,-0.1 -83,-0.2 -81,-0.1 -0.179 30.1 158.6-141.3 42.8 40.6 -0.1 15.7 97 99 A F - 0 0 116 1,-0.1 -2,-0.1 2,-0.1 -83,-0.0 -0.228 48.7 -97.8 -66.1 157.3 39.0 -1.4 18.9 98 100 A H - 0 0 72 1,-0.1 -1,-0.1 23,-0.1 35,-0.1 -0.332 46.9 -94.5 -68.9 159.8 36.8 -4.5 18.9 99 101 A P 0 0 40 0, 0.0 -1,-0.1 0, 0.0 33,-0.1 0.824 360.0 360.0 -46.5 -32.7 33.1 -3.8 18.8 100 102 A G 0 0 111 31,-0.1 -3,-0.1 0, 0.0 32,-0.0 0.881 360.0 360.0 -93.5 360.0 33.1 -4.1 22.6 101 ! 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 0.0 102 108 A G 0 0 99 0, 0.0 2,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 57.2 33.0 10.4 27.0 103 109 A F - 0 0 54 4,-0.1 2,-0.1 3,-0.1 0, 0.0 -0.685 360.0-176.8 -87.8 92.0 34.5 11.9 23.8 104 110 A T > - 0 0 75 -2,-1.3 4,-2.8 1,-0.1 5,-0.2 -0.392 43.0-104.9 -84.5 165.7 31.9 11.1 21.2 105 111 A W H > S+ 0 0 49 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.838 123.7 54.2 -57.1 -32.7 32.2 11.8 17.5 106 112 A E H > S+ 0 0 130 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.958 110.4 42.9 -66.6 -52.0 29.7 14.6 18.2 107 113 A H H > S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.893 108.8 59.7 -62.3 -40.8 31.7 16.2 20.9 108 114 A I H X S+ 0 0 2 -4,-2.8 4,-3.4 2,-0.2 -1,-0.2 0.859 105.6 47.3 -56.1 -42.0 35.0 15.8 19.0 109 115 A Q H < S+ 0 0 59 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.816 111.1 53.8 -70.0 -31.2 33.6 18.0 16.0 110 116 A E H < S+ 0 0 98 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.912 115.4 37.8 -67.6 -39.3 32.6 20.4 18.5 111 117 A I H < S+ 0 0 13 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.876 137.6 12.4 -77.2 -43.5 36.1 20.5 19.9 112 118 A N >< - 0 0 17 -4,-3.4 3,-1.8 -5,-0.2 -1,-0.3 -0.772 59.5-175.4-142.2 91.0 38.0 20.3 16.6 113 119 A P T 3 S+ 0 0 65 0, 0.0 76,-2.3 0, 0.0 -4,-0.1 0.623 88.2 56.4 -61.1 -13.1 35.9 20.8 13.4 114 120 A R T 3 S+ 0 0 112 74,-0.3 2,-0.2 -24,-0.1 76,-0.2 0.523 80.8 116.4 -97.1 -7.0 39.0 20.0 11.4 115 121 A L < - 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0 0 2 -16,-2.6 -16,-0.1 -2,-0.5 -1,-0.1 0.109 42.2 -46.3 -82.2-161.7 60.1 -0.5 4.5 368 374 A C - 0 0 6 -18,-0.2 -1,-0.2 1,-0.2 -16,-0.0 -0.615 53.8-151.4 -72.0 114.0 58.0 2.0 2.6 369 375 A P S S+ 0 0 77 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.910 74.2 57.7 -53.0 -55.1 56.6 -0.0 -0.4 370 376 A X S S- 0 0 77 -3,-0.1 2,-0.4 -19,-0.0 -2,-0.0 -0.520 79.0-136.1 -82.2 151.4 56.2 2.8 -2.9 371 377 A K - 0 0 115 -2,-0.2 2,-0.4 5,-0.1 5,-0.1 -0.902 11.9-159.1-113.1 135.4 59.1 5.0 -3.9 372 378 A F - 0 0 80 3,-0.6 3,-0.3 -2,-0.4 0, 0.0 -0.899 13.4-154.3-112.0 140.6 59.0 8.8 -4.3 373 379 A S S S+ 0 0 141 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.703 96.9 48.7 -84.1 -19.3 61.5 10.9 -6.3 374 380 A A S S+ 0 0 88 1,-0.2 2,-0.3 0, 0.0 -372,-0.2 0.396 119.6 22.7-100.4 2.4 61.0 14.0 -4.2 375 381 A F - 0 0 25 -3,-0.3 -3,-0.6 -374,-0.1 -1,-0.2 -0.935 55.1-155.5-169.5 142.4 61.4 12.4 -0.8 376 382 A T - 0 0 123 -2,-0.3 -5,-0.1 -5,-0.1 -3,-0.0 -0.963 24.7-131.1-125.8 115.2 62.9 9.4 1.0 377 383 A P - 0 0 31 0, 0.0 2,-0.7 0, 0.0 -349,-0.1 -0.258 11.9-139.6 -63.1 149.6 61.5 8.2 4.3 378 384 A D - 0 0 111 -350,-0.2 2,-0.4 -312,-0.0 -2,-0.0 -0.889 16.5-148.7-114.4 99.1 63.9 7.6 7.2 379 385 A I + 0 0 23 -2,-0.7 2,-0.2 -25,-0.1 -12,-0.0 -0.534 25.0 176.3 -74.2 123.1 62.8 4.4 9.0 380 386 A K - 0 0 114 -2,-0.4 -313,-0.1 1,-0.2 -314,-0.1 -0.631 31.2 -66.7-121.8 177.4 63.6 4.5 12.7 381 387 A A - 0 0 30 -25,-0.3 -315,-1.6 -2,-0.2 -314,-0.2 -0.072 49.5-107.2 -62.1 160.8 63.2 2.5 15.9 382 388 A A - 0 0 4 -317,-0.2 -317,-0.2 -316,-0.1 2,-0.2 -0.611 42.0-101.3 -87.5 152.4 59.9 1.8 17.6 383 389 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.453 25.9-122.2 -78.3 146.6 59.2 3.6 20.9 384 390 A L > - 0 0 52 -2,-0.2 3,-2.3 1,-0.1 4,-0.3 -0.497 54.0 -73.8 -78.9 153.7 59.5 2.1 24.4 385 391 A L T 3 S- 0 0 51 1,-0.3 -1,-0.1 -2,-0.2 -314,-0.1 -0.282 115.7 -7.2 -54.6 122.3 56.3 2.2 26.4 386 392 A G T > S+ 0 0 14 -351,-0.2 3,-1.4 -316,-0.1 4,-0.4 0.625 88.0 142.2 66.9 15.3 55.6 5.8 27.6 387 393 A E T < S+ 0 0 102 -3,-2.3 4,-0.2 1,-0.3 3,-0.2 0.811 76.7 34.0 -55.9 -34.2 59.0 7.0 26.3 388 394 A H T 3> S+ 0 0 42 -319,-2.5 4,-2.5 -4,-0.3 -1,-0.3 0.213 83.4 110.4-109.6 15.5 57.5 10.3 25.2 389 395 A T H <> S+ 0 0 14 -3,-1.4 4,-2.0 -320,-0.4 5,-0.2 0.928 84.2 41.5 -55.2 -51.2 54.9 10.8 27.9 390 396 A A H > S+ 0 0 34 -4,-0.4 4,-2.5 2,-0.2 5,-0.2 0.937 113.1 53.2 -62.7 -49.9 56.7 13.8 29.5 391 397 A A H > S+ 0 0 31 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 110.8 47.3 -53.0 -45.9 57.7 15.4 26.2 392 398 A V H X S+ 0 0 4 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.901 110.8 50.2 -66.2 -41.5 54.1 15.4 25.0 393 399 A L H <>S+ 0 0 14 -4,-2.0 5,-2.1 -5,-0.2 -1,-0.2 0.877 110.0 52.0 -64.5 -36.1 52.7 16.8 28.2 394 400 A Q H ><5S+ 0 0 103 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.907 106.7 52.9 -64.6 -41.8 55.3 19.6 28.0 395 401 A E H 3<5S+ 0 0 124 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.762 102.8 59.5 -64.6 -25.5 54.2 20.3 24.5 396 402 A L T 3<5S- 0 0 34 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.447 125.6-102.4 -83.1 -0.0 50.7 20.6 25.8 397 403 A G T < 5S+ 0 0 64 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.482 71.8 145.6 95.6 2.2 51.8 23.4 28.1 398 404 A Y < - 0 0 17 -5,-2.1 -1,-0.3 1,-0.1 2,-0.1 -0.497 44.2-126.1 -75.3 144.0 52.0 21.5 31.4 399 405 A S > - 0 0 54 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.334 23.9-105.6 -83.6 168.9 54.7 22.5 33.8 400 406 A D H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.865 121.5 52.1 -62.9 -35.8 57.3 20.2 35.3 401 407 A D H > S+ 0 0 136 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 110.6 47.3 -67.0 -41.6 55.5 20.3 38.7 402 408 A E H > S+ 0 0 95 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.927 111.9 49.5 -65.5 -45.2 52.2 19.4 37.1 403 409 A I H X S+ 0 0 12 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.915 112.3 49.1 -60.0 -41.8 53.8 16.5 35.1 404 410 A A H X S+ 0 0 57 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.894 110.7 50.4 -64.2 -40.9 55.4 15.3 38.3 405 411 A A H X S+ 0 0 48 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.901 107.8 52.6 -64.8 -42.5 52.1 15.5 40.2 406 412 A X H X S+ 0 0 34 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.905 111.9 45.6 -61.1 -42.3 50.2 13.5 37.5 407 413 A K H X S+ 0 0 108 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.871 113.0 50.7 -69.3 -35.9 52.7 10.7 37.6 408 414 A Q H X S+ 0 0 136 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.924 109.5 49.1 -67.9 -44.2 52.7 10.7 41.5 409 415 A N H X S+ 0 0 87 -4,-2.9 4,-3.2 1,-0.2 -1,-0.2 0.886 112.3 50.2 -60.3 -39.2 48.9 10.6 41.6 410 416 A H H < S+ 0 0 100 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.862 108.9 51.9 -67.5 -36.6 49.0 7.6 39.1 411 417 A A H < S+ 0 0 73 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.906 115.5 41.2 -65.8 -42.2 51.6 5.9 41.3 412 418 A I H < 0 0 86 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.967 360.0 360.0 -69.8 -55.1 49.4 6.3 44.4 413 419 A E < 0 0 117 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.833 360.0 360.0 -36.2 360.0 46.1 5.4 42.7