==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 25-OCT-00 1G41 . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSLU; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR C.B.TRAME,D.B.MCKAY . 334 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18121.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 20 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 40.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 0 0 1 1 2 1 1 0 0 0 1 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 2 A S 0 0 58 0, 0.0 33,-0.1 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0 178.4 19.8 36.2 38.4 2 3 A E + 0 0 144 2,-0.0 2,-0.0 32,-0.0 29,-0.0 0.492 360.0 122.1 -80.9 -4.9 20.9 39.7 39.3 3 4 A M - 0 0 51 1,-0.1 31,-0.1 4,-0.1 3,-0.0 -0.318 60.6-130.2 -63.3 138.5 23.3 39.6 36.4 4 5 A T > - 0 0 47 1,-0.1 4,-2.6 -2,-0.0 5,-0.2 -0.453 28.0-102.2 -85.1 160.7 23.0 42.2 33.7 5 6 A P H > S+ 0 0 38 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.920 123.5 47.7 -47.7 -51.7 22.8 41.3 29.9 6 7 A R H > S+ 0 0 186 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.859 110.8 50.8 -61.1 -37.3 26.5 42.3 29.4 7 8 A E H > S+ 0 0 101 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.901 110.8 49.9 -67.4 -37.3 27.6 40.4 32.5 8 9 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.909 112.4 46.7 -65.5 -43.2 25.8 37.3 31.1 9 10 A V H X S+ 0 0 24 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.891 108.3 55.8 -66.9 -38.8 27.4 37.7 27.7 10 11 A S H X S+ 0 0 69 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.930 110.4 46.0 -59.6 -40.9 30.8 38.2 29.3 11 12 A E H >< S+ 0 0 65 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.930 112.1 50.1 -66.5 -43.7 30.3 34.9 31.0 12 13 A L H >X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.3 3,-2.1 0.878 101.3 64.5 -62.1 -36.7 29.1 33.2 27.8 13 14 A D H 3< S+ 0 0 78 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.786 93.6 61.5 -57.7 -28.1 32.1 34.5 26.0 14 15 A Q T << S+ 0 0 86 -3,-1.0 227,-2.7 -4,-0.8 -1,-0.3 0.501 117.5 27.1 -80.4 0.1 34.4 32.4 28.2 15 16 A H T <4 S+ 0 0 33 -3,-2.1 2,-0.4 1,-0.3 -2,-0.2 0.599 119.7 51.6-126.1 -31.2 32.8 29.2 26.9 16 17 A I < - 0 0 9 -4,-2.7 2,-0.4 2,-0.1 -1,-0.3 -0.950 69.5-143.3-119.5 126.9 31.5 30.0 23.4 17 18 A I - 0 0 8 -2,-0.4 -3,-0.1 -3,-0.1 215,-0.0 -0.737 67.2 -23.9 -88.3 133.5 33.5 31.6 20.7 18 19 A G S S+ 0 0 31 -2,-0.4 5,-0.1 -5,-0.1 -2,-0.1 -0.280 77.8 116.9 70.0-151.6 31.6 34.1 18.5 19 20 A Q > + 0 0 10 1,-0.1 4,-1.9 3,-0.1 5,-0.1 0.920 33.1 166.8 49.6 55.4 27.8 34.0 18.1 20 21 A A H > S+ 0 0 59 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.872 70.2 55.1 -66.2 -38.5 27.3 37.5 19.7 21 22 A D H > S+ 0 0 107 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.942 110.7 43.9 -61.9 -48.2 23.7 37.8 18.5 22 23 A A H > S+ 0 0 0 202,-0.3 4,-2.3 1,-0.2 5,-0.3 0.880 111.6 54.4 -64.2 -38.0 22.6 34.5 20.1 23 24 A K H X S+ 0 0 5 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.915 111.6 45.2 -62.2 -39.4 24.6 35.4 23.2 24 25 A R H X S+ 0 0 137 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.921 109.3 55.2 -69.6 -43.2 22.6 38.6 23.4 25 26 A A H X S+ 0 0 9 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.911 112.8 41.3 -57.0 -46.1 19.3 37.0 22.7 26 27 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.823 112.0 56.1 -73.1 -29.6 19.6 34.6 25.6 27 28 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.3 -2,-0.2 0.947 109.8 45.9 -64.1 -47.5 21.0 37.3 27.9 28 29 A I H X S+ 0 0 70 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.945 111.1 53.1 -57.0 -52.0 18.0 39.4 27.2 29 30 A A H X S+ 0 0 5 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.858 112.1 44.4 -53.3 -41.7 15.7 36.4 27.8 30 31 A L H X S+ 0 0 4 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.839 112.0 52.5 -75.0 -32.6 17.3 35.7 31.1 31 32 A R H >X S+ 0 0 36 -4,-2.2 4,-2.3 1,-0.2 3,-0.5 0.854 98.9 64.7 -71.1 -35.7 17.2 39.3 32.2 32 33 A N H 3X S+ 0 0 34 -4,-2.7 4,-3.3 1,-0.3 5,-0.2 0.866 95.5 58.7 -55.2 -38.5 13.5 39.6 31.4 33 34 A R H 3X S+ 0 0 27 -4,-0.8 4,-1.4 1,-0.2 -1,-0.3 0.902 107.6 46.4 -57.7 -41.9 12.8 37.1 34.2 34 35 A W H X S+ 0 0 111 -4,-2.3 3,-1.9 1,-0.2 4,-0.6 0.929 106.5 53.8 -61.2 -48.7 12.6 42.4 35.2 36 37 A R H >< S+ 0 0 27 -4,-3.3 3,-1.3 1,-0.3 -1,-0.2 0.864 104.3 57.8 -54.6 -36.0 9.2 40.7 35.4 37 38 A M H 3< S+ 0 0 52 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.690 100.8 56.0 -68.9 -18.9 10.0 40.0 39.1 38 39 A Q H << S+ 0 0 109 -3,-1.9 -1,-0.3 -4,-0.6 -2,-0.2 0.544 94.5 91.5 -89.1 -8.3 10.4 43.8 39.7 39 40 A L S << S- 0 0 65 -3,-1.3 2,-0.3 -4,-0.6 -3,-0.0 -0.227 71.4-128.8 -79.8 171.7 6.9 44.4 38.3 40 41 A Q >> - 0 0 165 1,-0.0 3,-1.4 -2,-0.0 4,-1.0 -0.829 40.5 -52.3-120.7 161.3 3.7 44.5 40.3 41 42 A E T 34 S+ 0 0 121 1,-0.3 -1,-0.0 -2,-0.3 0, 0.0 -0.379 111.8 23.1 -67.9 151.9 0.4 42.8 39.9 42 43 A P T 34 S+ 0 0 94 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 -0.914 126.0 48.4 -96.0 18.2 -1.6 42.4 37.7 43 44 A L T <> S+ 0 0 104 -3,-1.4 4,-1.3 1,-0.1 -2,-0.2 0.699 98.5 73.3 -86.4 -20.0 1.0 43.1 35.0 44 45 A R T < S+ 0 0 78 -4,-1.0 3,-0.4 1,-0.2 -1,-0.1 0.935 102.2 36.9 -58.3 -52.8 3.4 40.6 36.6 45 46 A H T 4 S+ 0 0 99 1,-0.2 -1,-0.2 -5,-0.0 -2,-0.1 0.641 109.5 64.7 -78.9 -13.3 1.6 37.4 35.6 46 47 A E T 4 S+ 0 0 129 -4,-0.4 2,-0.5 2,-0.1 -1,-0.2 0.813 85.1 83.9 -76.8 -31.6 0.6 38.9 32.2 47 48 A V < - 0 0 50 -4,-1.3 -1,-0.0 -3,-0.4 -4,-0.0 -0.637 65.3-171.2 -78.8 119.8 4.2 39.1 31.1 48 49 A T - 0 0 51 -2,-0.5 146,-0.1 1,-0.1 145,-0.1 -0.647 32.2 -78.7-109.0 165.4 5.4 35.8 29.6 49 50 A P - 0 0 17 0, 0.0 2,-1.3 0, 0.0 -1,-0.1 -0.322 35.9-130.2 -62.9 139.9 8.9 34.5 28.5 50 51 A K - 0 0 86 -21,-0.2 169,-0.1 169,-0.1 -18,-0.1 -0.750 32.7-147.5 -91.3 89.7 10.1 35.7 25.1 51 52 A N - 0 0 1 -2,-1.3 170,-2.0 167,-0.3 2,-0.4 -0.228 8.3-132.7 -60.7 150.0 11.0 32.3 23.8 52 53 A I E -ab 198 221A 0 145,-2.1 147,-3.2 168,-0.1 2,-0.5 -0.840 12.9-160.7-111.4 142.5 13.9 32.1 21.4 53 54 A L E -ab 199 222A 0 168,-2.6 170,-2.1 -2,-0.4 2,-0.4 -0.990 15.3-154.7-119.9 117.0 14.3 30.3 18.1 54 55 A M E -ab 200 223A 0 145,-3.5 147,-1.6 -2,-0.5 2,-0.5 -0.818 5.9-164.8 -96.2 133.5 17.9 29.8 17.0 55 56 A I E +ab 201 224A 41 168,-2.5 170,-2.8 -2,-0.4 147,-0.2 -0.978 36.2 104.4-118.8 118.3 18.6 29.4 13.3 56 57 A G - 0 0 6 145,-1.8 170,-0.1 -2,-0.5 3,-0.1 -0.957 63.9 -74.2 179.0 165.4 22.0 28.1 12.3 57 58 A P > - 0 0 54 0, 0.0 3,-0.6 0, 0.0 5,-0.3 -0.124 62.8 -78.9 -67.8 168.7 24.2 25.2 11.0 58 59 A T T 3 S+ 0 0 71 224,-0.2 227,-0.1 1,-0.2 228,-0.1 -0.377 106.4 15.9 -74.6 145.5 25.1 22.1 13.1 59 60 A G T 3 S+ 0 0 14 225,-0.2 226,-2.5 -2,-0.1 -1,-0.2 0.821 85.5 114.3 66.1 36.3 27.9 22.3 15.7 60 61 A V S < S- 0 0 8 -3,-0.6 166,-0.1 224,-0.2 -2,-0.1 0.345 94.5 -80.6-116.8 6.6 28.3 26.0 16.0 61 62 A G S > S+ 0 0 15 164,-0.1 4,-2.4 -45,-0.0 5,-0.2 0.539 85.0 127.3 112.7 7.3 27.2 26.6 19.6 62 63 A K H > S+ 0 0 17 -5,-0.3 4,-1.6 2,-0.2 5,-0.1 0.982 87.0 32.7 -59.6 -59.0 23.4 26.6 19.7 63 64 A T H > S+ 0 0 17 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.928 117.7 55.8 -63.3 -46.3 23.0 23.9 22.4 64 65 A E H > S+ 0 0 67 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.876 105.2 52.2 -55.4 -41.3 26.2 25.0 24.2 65 66 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.3 0.922 113.7 44.7 -62.4 -40.9 24.9 28.5 24.5 66 67 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.907 113.6 48.7 -68.4 -43.7 21.7 27.1 26.1 67 68 A R H X S+ 0 0 104 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.963 114.7 45.4 -59.1 -53.8 23.6 24.7 28.4 68 69 A R H X S+ 0 0 74 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.883 109.2 56.1 -56.5 -43.3 25.9 27.4 29.5 69 70 A L H X S+ 0 0 0 -4,-2.2 4,-1.1 -5,-0.3 -1,-0.2 0.936 108.7 46.5 -56.4 -48.2 23.1 29.8 30.0 70 71 A A H <>S+ 0 0 3 -4,-2.2 5,-2.6 2,-0.2 4,-0.5 0.879 112.1 53.8 -61.1 -39.4 21.3 27.4 32.3 71 72 A K H ><5S+ 0 0 146 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.974 109.0 44.2 -59.3 -59.6 24.6 26.8 34.2 72 73 A L H 3<5S+ 0 0 28 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.668 116.2 49.1 -63.4 -16.7 25.4 30.5 34.9 73 74 A A T 3<5S- 0 0 17 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.456 106.8-127.7 -99.7 -2.9 21.8 31.0 36.0 74 75 A N T < 5 + 0 0 106 -3,-1.8 -3,-0.2 -4,-0.5 -2,-0.1 0.958 60.2 145.3 54.2 54.6 21.8 28.0 38.2 75 76 A A < - 0 0 10 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.2 -0.896 58.4 -94.7-127.1 154.9 18.6 26.7 36.5 76 77 A P - 0 0 4 0, 0.0 69,-2.6 0, 0.0 2,-0.3 -0.487 46.4-169.6 -66.8 122.3 17.1 23.3 35.5 77 78 A F E +c 145 0A 33 -2,-0.3 2,-0.3 67,-0.2 69,-0.2 -0.755 12.6 178.4-114.0 159.3 18.0 22.5 31.9 78 79 A I E -c 146 0A 26 67,-0.8 69,-3.2 -2,-0.3 2,-0.4 -0.900 13.2-155.5-161.7 129.0 16.7 19.9 29.5 79 80 A K E +c 147 0A 48 -2,-0.3 2,-0.3 67,-0.2 69,-0.2 -0.882 19.3 174.6-106.6 142.1 17.5 19.1 25.9 80 81 A V E -c 148 0A 4 67,-2.3 69,-2.5 -2,-0.4 2,-0.6 -0.995 29.4-127.8-146.1 147.4 15.1 17.3 23.8 81 82 A E E > -c 149 0A 81 -2,-0.3 3,-1.7 67,-0.2 4,-0.3 -0.882 17.1-145.3-100.2 120.8 14.9 16.3 20.1 82 83 A A G > S+ 0 0 1 67,-2.0 3,-2.7 -2,-0.6 4,-0.3 0.908 96.0 57.5 -46.8 -59.4 11.6 17.4 18.4 83 84 A T G > S+ 0 0 54 1,-0.3 3,-0.8 67,-0.3 -1,-0.3 0.639 87.0 84.5 -51.3 -15.3 11.2 14.5 16.0 84 85 A K G < S+ 0 0 96 -3,-1.7 6,-0.4 1,-0.2 -1,-0.3 0.777 92.0 45.4 -59.3 -27.1 11.3 12.3 19.1 85 86 A F G < 0 0 28 -3,-2.7 -1,-0.2 -4,-0.3 -2,-0.2 0.585 360.0 360.0 -97.2 -9.7 7.6 12.9 19.6 86 87 A T < 0 0 85 -3,-0.8 -1,-0.1 -4,-0.3 81,-0.1 -0.124 360.0 360.0 -57.7 360.0 6.3 12.4 16.1 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 92 A V 0 0 209 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -95.4 3.0 4.2 21.4 89 93 A G - 0 0 64 2,-0.0 2,-0.3 -3,-0.0 -4,-0.1 -0.920 360.0 -41.0 132.8-159.4 5.9 6.6 22.0 90 94 A K - 0 0 106 -6,-0.4 2,-0.4 -2,-0.3 3,-0.0 -0.822 43.9-133.5-111.0 149.7 6.6 9.5 24.4 91 95 A E > - 0 0 107 -2,-0.3 3,-3.2 1,-0.1 4,-0.3 -0.809 23.4-121.1-100.1 138.7 4.3 12.4 25.4 92 96 A V T >> S+ 0 0 10 -2,-0.4 3,-2.1 1,-0.3 4,-0.7 0.780 108.7 74.1 -47.6 -31.3 5.5 15.9 25.4 93 97 A D H 3> S+ 0 0 51 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.761 80.4 73.8 -56.4 -22.7 4.7 16.1 29.1 94 98 A S H <> S+ 0 0 0 -3,-3.2 4,-3.9 1,-0.2 5,-0.4 0.881 87.7 62.2 -56.5 -38.5 7.8 14.0 29.6 95 99 A I H <> S+ 0 0 2 -3,-2.1 4,-2.3 -4,-0.3 -1,-0.2 0.935 107.5 40.2 -51.4 -53.9 9.8 17.1 28.8 96 100 A I H X S+ 0 0 0 -4,-0.7 4,-1.3 2,-0.2 -1,-0.2 0.790 116.1 53.2 -67.7 -29.1 8.4 18.9 31.8 97 101 A R H X S+ 0 0 58 -4,-1.9 4,-1.6 2,-0.2 3,-0.5 0.970 111.5 42.5 -70.2 -54.9 8.8 15.6 33.8 98 102 A D H X S+ 0 0 58 -4,-3.9 4,-2.5 1,-0.2 3,-0.2 0.898 112.7 56.2 -57.2 -41.0 12.4 15.1 33.0 99 103 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.4 -1,-0.2 0.831 104.6 51.6 -61.0 -34.9 13.0 18.8 33.6 100 104 A T H X S+ 0 0 0 -4,-1.3 4,-0.9 -3,-0.5 -1,-0.2 0.814 108.4 51.6 -73.4 -30.2 11.6 18.5 37.1 101 105 A D H >X S+ 0 0 55 -4,-1.6 4,-1.8 -3,-0.2 3,-1.3 0.953 107.5 51.8 -67.2 -49.8 13.9 15.6 37.8 102 106 A S H 3X S+ 0 0 40 -4,-2.5 4,-1.8 1,-0.3 -2,-0.2 0.876 108.9 52.4 -51.7 -39.1 16.8 17.8 36.6 103 107 A A H 3X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -1,-0.3 0.752 102.8 59.6 -69.8 -25.4 15.5 20.4 39.0 104 108 A M H X>S+ 0 0 108 -4,-3.5 4,-2.1 2,-0.2 3,-0.9 0.995 112.5 44.3 -58.9 -69.7 19.2 18.3 46.4 109 113 A Q H 3X5S+ 0 0 137 -4,-1.9 4,-0.6 1,-0.3 -1,-0.2 0.755 118.3 48.0 -47.8 -28.4 23.0 18.8 45.9 110 114 A Q H 3X5S+ 0 0 86 -4,-0.9 4,-1.5 -5,-0.4 -1,-0.3 0.820 114.7 43.8 -84.1 -32.7 22.5 22.5 46.7 111 115 A E H <<5S+ 0 0 42 -4,-2.2 -2,-0.2 -3,-0.9 -3,-0.2 0.974 116.3 41.4 -76.3 -58.6 20.4 21.9 49.8 112 116 A I H <5S+ 0 0 74 -4,-2.1 3,-0.3 1,-0.2 -3,-0.2 0.864 120.1 46.8 -58.0 -36.4 22.3 19.1 51.6 113 117 A A H < + 0 0 100 1,-0.1 3,-1.0 2,-0.1 0, 0.0 0.435 360.0 84.7-101.6 -3.1 27.8 12.1 60.3 120 228 A D G > S+ 0 0 133 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.884 85.1 55.7 -65.6 -40.1 26.1 10.1 57.5 121 229 A D G 3 S+ 0 0 147 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.508 109.0 51.6 -71.0 -2.7 23.4 8.9 59.9 122 230 A E G < S+ 0 0 116 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 -0.147 72.1 112.9-124.2 34.7 22.8 12.7 60.5 123 231 A A S < S+ 0 0 67 -3,-1.4 -2,-0.1 3,-0.0 4,-0.1 0.738 70.4 62.8 -78.2 -24.4 22.5 13.7 56.8 124 232 A A + 0 0 50 -4,-0.2 4,-0.1 -3,-0.1 -2,-0.1 0.623 48.9 107.6 -70.1-129.2 18.9 14.6 57.3 125 233 A K S S+ 0 0 141 2,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.835 100.9 34.9 54.5 33.8 17.8 17.4 59.7 126 234 A L S S+ 0 0 52 1,-0.0 2,-1.5 0, 0.0 -1,-0.2 0.131 88.4 99.9-179.7 -29.3 17.0 19.4 56.6 127 235 A I + 0 0 55 -4,-0.1 -2,-0.2 4,-0.1 -3,-0.0 -0.611 46.3 173.2 -81.0 88.3 15.7 16.9 54.1 128 236 A N >> - 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0 0 2 -5,-2.4 2,-0.7 50,-0.2 -1,-0.3 -0.895 45.3-157.6-108.1 125.5 53.7 14.3 31.4 258 366 A N E -f 310 0C 67 51,-2.8 53,-3.0 -2,-0.5 2,-0.3 -0.867 17.5-175.1-101.6 112.2 53.8 18.0 30.6 259 367 A I E -f 311 0C 0 -2,-0.7 2,-0.3 -10,-0.3 53,-0.2 -0.703 7.4-173.2-105.7 159.8 52.6 18.7 27.1 260 368 A A E -f 312 0C 34 51,-1.8 53,-3.6 -2,-0.3 2,-0.5 -0.984 15.9-143.1-150.6 139.7 52.6 22.0 25.2 261 369 A F E -f 313 0C 40 -2,-0.3 53,-0.2 51,-0.2 51,-0.1 -0.915 21.3-134.8-104.9 126.0 51.1 22.9 21.8 262 370 A T > - 0 0 55 51,-2.4 4,-1.6 -2,-0.5 5,-0.2 -0.357 28.9-104.7 -73.1 165.6 53.1 25.4 19.8 263 371 A T H > S+ 0 0 107 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.912 121.8 44.1 -56.2 -48.1 51.2 28.2 18.2 264 372 A D H > S+ 0 0 68 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.780 103.7 64.1 -73.1 -23.8 51.3 26.7 14.7 265 373 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.900 105.1 47.7 -64.1 -37.7 50.4 23.2 16.0 266 374 A V H X S+ 0 0 12 -4,-1.6 4,-2.5 -3,-0.2 5,-0.3 0.911 110.0 50.4 -69.0 -41.3 47.1 24.7 17.0 267 375 A K H X S+ 0 0 83 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.920 111.2 51.7 -61.2 -39.6 46.6 26.4 13.6 268 376 A K H X S+ 0 0 75 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.880 109.1 48.1 -63.6 -42.3 47.4 23.0 12.1 269 377 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.946 115.3 44.6 -64.0 -48.8 44.8 21.2 14.2 270 378 A A H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.838 111.6 54.1 -64.3 -34.1 42.1 23.7 13.4 271 379 A E H X S+ 0 0 113 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.903 107.6 51.2 -67.5 -39.3 43.1 23.7 9.8 272 380 A A H X S+ 0 0 6 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.952 110.8 46.5 -62.7 -52.1 42.7 19.9 9.7 273 381 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 3,-0.4 0.945 114.0 47.4 -55.2 -53.1 39.2 20.0 11.2 274 382 A F H X S+ 0 0 61 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.822 109.5 56.4 -59.3 -31.3 38.0 22.8 8.9 275 383 A R H X S+ 0 0 83 -4,-1.7 4,-0.8 -5,-0.2 -1,-0.2 0.874 108.1 45.0 -70.4 -37.7 39.5 20.9 5.9 276 384 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 -3,-0.4 5,-0.2 0.864 110.3 54.6 -74.2 -36.3 37.5 17.7 6.6 277 385 A N H < S+ 0 0 4 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.868 112.9 42.4 -65.0 -36.4 34.3 19.5 7.1 278 386 A E H < S+ 0 0 116 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.643 116.8 47.7 -85.5 -15.9 34.5 21.3 3.8 279 387 A K H < S+ 0 0 65 -4,-0.8 -2,-0.2 -3,-0.2 -1,-0.2 0.734 132.3 1.9 -93.0 -30.9 35.7 18.2 1.9 280 388 A T S < S- 0 0 25 -4,-2.1 2,-0.5 1,-0.1 -3,-0.1 0.323 123.5 -20.1-120.1-108.5 33.1 15.8 3.3 281 389 A E - 0 0 97 -5,-0.2 2,-0.9 3,-0.0 -1,-0.1 -0.943 59.8-128.6-113.5 130.4 30.2 16.7 5.6 282 390 A N + 0 0 86 -2,-0.5 -224,-0.2 1,-0.2 3,-0.1 -0.671 36.0 163.5 -81.4 108.2 30.5 19.9 7.7 283 391 A I > - 0 0 54 -2,-0.9 3,-1.1 1,-0.3 4,-0.2 0.067 38.6-144.1-108.3 21.5 29.8 18.9 11.3 284 392 A G G > - 0 0 2 1,-0.2 3,-2.0 2,-0.2 -1,-0.3 -0.111 65.0 -4.3 55.9-144.5 31.2 22.1 12.7 285 393 A A G > S+ 0 0 21 -226,-2.5 3,-2.3 1,-0.3 4,-0.4 0.754 120.1 76.1 -54.0 -28.6 33.2 22.2 15.9 286 394 A R G X> S+ 0 0 124 -3,-1.1 3,-2.1 1,-0.3 4,-0.8 0.837 80.9 69.6 -55.4 -31.7 32.5 18.6 16.6 287 395 A R H <> S+ 0 0 15 -3,-2.0 4,-1.8 1,-0.3 -1,-0.3 0.792 87.3 68.5 -57.2 -25.2 35.1 17.7 14.0 288 396 A L H <> S+ 0 0 2 -3,-2.3 4,-1.9 -4,-0.3 -1,-0.3 0.772 91.4 60.7 -65.1 -26.1 37.6 19.1 16.5 289 397 A H H <> S+ 0 0 100 -3,-2.1 4,-2.3 -4,-0.4 -1,-0.2 0.956 107.2 40.8 -67.1 -52.1 36.9 16.1 18.8 290 398 A T H X S+ 0 0 46 -4,-0.8 4,-2.7 46,-0.3 5,-0.2 0.901 115.0 51.8 -64.7 -41.6 38.0 13.4 16.4 291 399 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.921 111.1 47.7 -62.9 -43.9 41.1 15.3 15.1 292 400 A M H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.924 112.4 49.3 -63.0 -43.1 42.3 15.9 18.7 293 401 A E H X S+ 0 0 94 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.926 110.9 49.2 -62.8 -42.8 41.8 12.3 19.6 294 402 A R H < S+ 0 0 83 -4,-2.7 3,-0.5 1,-0.2 4,-0.4 0.911 114.3 47.8 -60.0 -41.8 43.7 11.2 16.5 295 403 A L H < S+ 0 0 2 -4,-2.4 4,-0.3 1,-0.2 3,-0.2 0.894 117.4 39.0 -64.9 -43.9 46.4 13.6 17.5 296 404 A M H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.351 87.3 103.9 -90.9 3.4 46.7 12.6 21.1 297 405 A D H X S+ 0 0 95 -4,-0.8 4,-1.7 -3,-0.5 -1,-0.2 0.955 84.0 37.5 -48.5 -65.5 46.3 8.9 20.4 298 406 A K H > S+ 0 0 155 -4,-0.4 4,-2.0 -3,-0.2 3,-0.3 0.925 119.7 44.1 -57.0 -54.8 49.9 7.8 20.8 299 407 A I H > S+ 0 0 4 -4,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.865 109.8 58.9 -62.5 -34.2 50.9 10.0 23.7 300 408 A S H < S+ 0 0 53 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.885 108.8 44.3 -63.0 -38.3 47.6 9.2 25.5 301 409 A F H < S+ 0 0 177 -4,-1.7 3,-0.3 -3,-0.3 -1,-0.2 0.881 123.2 33.3 -75.0 -37.4 48.4 5.5 25.5 302 410 A S H >< S+ 0 0 35 -4,-2.0 3,-2.2 1,-0.2 -2,-0.2 0.340 80.8 107.0-104.2 9.5 52.1 5.7 26.6 303 411 A A G >< S+ 0 0 0 -4,-1.3 3,-2.4 1,-0.3 -1,-0.2 0.859 74.4 65.3 -53.5 -37.2 52.0 8.7 28.9 304 412 A S G 3 S+ 0 0 70 -3,-0.3 3,-0.5 1,-0.3 -1,-0.3 0.751 101.4 50.1 -57.2 -25.4 52.4 6.3 31.8 305 413 A D G < S+ 0 0 127 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.259 104.6 58.9 -97.7 11.4 55.8 5.5 30.4 306 414 A M X + 0 0 43 -3,-2.4 3,-2.3 -51,-0.2 -1,-0.2 0.088 66.9 158.5-128.0 24.8 56.9 9.1 30.1 307 415 A N T 3 S+ 0 0 122 -3,-0.5 -50,-0.2 1,-0.3 -51,-0.2 -0.236 70.5 23.5 -52.6 128.6 56.6 10.4 33.6 308 416 A G T 3 S+ 0 0 65 -52,-3.1 -1,-0.3 1,-0.3 2,-0.2 0.338 97.8 121.7 96.0 -6.2 58.8 13.4 34.1 309 417 A Q < - 0 0 93 -3,-2.3 -51,-2.8 -53,-0.3 2,-0.5 -0.610 53.6-145.4 -95.5 151.6 58.9 14.4 30.4 310 418 A T E -f 258 0C 83 -2,-0.2 2,-0.5 -53,-0.2 -51,-0.2 -0.946 18.7-161.3-107.4 129.8 57.8 17.5 28.6 311 419 A V E -f 259 0C 16 -53,-3.0 -51,-1.8 -2,-0.5 2,-0.7 -0.959 4.8-152.6-116.9 120.8 56.4 16.8 25.2 312 420 A N E -f 260 0C 97 -2,-0.5 2,-1.0 -53,-0.2 -51,-0.2 -0.816 3.4-157.1 -95.1 116.6 56.2 19.6 22.7 313 421 A I E +f 261 0C 0 -53,-3.6 -51,-2.4 -2,-0.7 -48,-0.2 -0.832 29.2 164.2 -94.0 103.5 53.4 19.1 20.2 314 422 A D > - 0 0 66 -2,-1.0 4,-2.1 -53,-0.2 3,-0.4 -0.515 56.4 -81.6-110.7-179.0 54.5 21.2 17.2 315 423 A A H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.891 129.7 52.8 -49.8 -45.8 53.5 21.3 13.6 316 424 A A H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.883 107.1 50.9 -58.9 -42.6 55.7 18.3 12.8 317 425 A Y H > S+ 0 0 54 -3,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.922 111.5 48.8 -62.1 -43.2 54.1 16.3 15.5 318 426 A V H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.893 110.9 48.0 -64.4 -44.6 50.6 17.1 14.2 319 427 A A H X S+ 0 0 66 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.864 113.8 50.0 -65.5 -34.8 51.5 16.2 10.6 320 428 A D H < S+ 0 0 129 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.988 112.3 44.7 -66.3 -56.7 53.0 13.0 11.8 321 429 A A H < S+ 0 0 19 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.834 117.7 44.6 -56.7 -37.6 50.0 12.0 13.9 322 430 A L H >< S+ 0 0 12 -4,-2.3 3,-1.9 -5,-0.2 -1,-0.2 0.841 80.3 165.9 -80.2 -32.1 47.5 12.8 11.2 323 431 A G T 3< - 0 0 45 -4,-1.9 3,-0.2 1,-0.2 -1,-0.2 -0.289 69.8 -22.8 56.9-130.4 49.3 11.3 8.3 324 432 A E T 3> S+ 0 0 143 1,-0.2 4,-1.3 2,-0.1 -1,-0.2 0.370 108.9 102.6 -95.5 2.9 47.1 10.9 5.2 325 433 A V T X4 S+ 0 0 2 -3,-1.9 7,-0.6 1,-0.2 3,-0.6 0.913 75.0 52.3 -54.0 -54.4 43.7 11.0 7.1 326 434 A V T 34 S+ 0 0 18 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.893 115.8 38.6 -50.7 -50.3 42.6 14.5 6.3 327 435 A E T 34 S+ 0 0 101 1,-0.1 2,-0.8 -3,-0.1 -1,-0.2 0.602 103.5 74.1 -81.4 -13.7 43.0 14.4 2.5 328 436 A N XX - 0 0 57 -4,-1.3 4,-3.0 -3,-0.6 3,-1.8 -0.831 59.0-168.4-107.4 100.1 41.8 10.8 2.0 329 437 A E H 3> S+ 0 0 95 -2,-0.8 4,-2.4 1,-0.3 -1,-0.2 0.818 87.6 64.5 -51.9 -35.5 38.0 10.7 2.4 330 438 A D H 34 S+ 0 0 109 1,-0.2 -1,-0.3 2,-0.2 -5,-0.1 0.851 115.4 31.3 -58.2 -33.2 38.2 6.9 2.4 331 439 A L H X> S+ 0 0 68 -3,-1.8 4,-2.7 -6,-0.2 3,-1.8 0.889 116.5 55.3 -89.9 -47.1 40.1 7.2 5.7 332 440 A S H 3X S+ 0 0 2 -4,-3.0 4,-1.7 -7,-0.6 -3,-0.2 0.786 100.3 60.1 -58.2 -33.2 38.6 10.4 7.1 333 441 A R H 3< S+ 0 0 115 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.1 0.530 116.7 33.5 -74.9 -5.7 35.0 9.1 6.9 334 442 A F H <4 S+ 0 0 190 -3,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.739 127.8 33.8-108.3 -52.2 36.1 6.3 9.3 335 443 A I H < 0 0 66 -4,-2.7 -3,-0.2 1,-0.1 -2,-0.2 0.835 360.0 360.0 -78.5 -38.8 38.7 7.9 11.5 336 444 A L < 0 0 16 -4,-1.7 -46,-0.3 -5,-0.3 -3,-0.2 0.515 360.0 360.0-110.5 360.0 37.4 11.5 11.8