==== 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 ELECTRON TRANSPORT 11-SEP-00 1FT5 . COMPND 2 MOLECULE: CYTOCHROME C554; . SOURCE 2 ORGANISM_SCIENTIFIC: NITROSOMONAS EUROPAEA; . AUTHOR T.M.IVERSON,D.M.ARCIERO,A.B.HOOPER,D.C.REES . 211 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12924.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 58.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 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 . 14 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 4 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 153 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 73.3 93.9 52.1 17.1 2 2 A D - 0 0 96 1,-0.1 123,-0.1 123,-0.0 122,-0.0 -0.198 360.0 -98.2 -67.1 171.3 95.8 53.2 14.0 3 3 A A - 0 0 4 91,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.667 29.4-113.2 -97.5 149.5 99.5 52.3 13.9 4 4 A P - 0 0 36 0, 0.0 92,-2.1 0, 0.0 68,-0.3 -0.436 28.1-119.4 -75.0 151.0 102.5 54.5 14.8 5 5 A F + 0 0 7 66,-2.8 78,-0.0 89,-0.2 61,-0.0 -0.545 28.4 177.7 -78.3 156.4 105.0 55.5 12.1 6 6 A E - 0 0 27 1,-0.2 3,-0.2 -2,-0.2 2,-0.1 0.509 41.2-103.2-134.1 -16.1 108.6 54.5 12.6 7 7 A G - 0 0 4 1,-0.1 4,-0.4 76,-0.1 3,-0.2 -0.427 36.6 -74.5 113.3 171.6 110.6 55.7 9.6 8 8 A R S > S+ 0 0 50 74,-2.3 4,-2.8 1,-0.2 5,-0.3 0.650 96.5 93.7 -85.1 -16.7 112.1 54.2 6.4 9 9 A K H > S+ 0 0 140 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.866 89.4 38.2 -51.1 -52.9 115.1 52.3 7.8 10 10 A K H > S+ 0 0 73 -3,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.915 116.4 52.4 -71.6 -36.9 113.6 48.9 8.3 11 11 A C H > S+ 0 0 33 -4,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.933 111.4 47.6 -58.2 -43.2 111.5 49.0 5.1 12 12 A S H < S+ 0 0 26 -4,-2.8 -1,-0.2 1,-0.2 7,-0.2 0.799 105.6 58.4 -69.6 -28.0 114.6 50.0 3.1 13 13 A S H < S+ 0 0 67 -4,-1.8 3,-0.4 -5,-0.3 -1,-0.2 0.848 115.3 35.1 -71.9 -33.2 116.8 47.3 4.6 14 14 A C H < S+ 0 0 86 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.629 124.3 44.2 -89.7 -17.6 114.4 44.5 3.4 15 15 A H X + 0 0 75 -4,-1.4 4,-2.4 -5,-0.2 -1,-0.2 -0.535 65.1 154.9-127.9 63.8 113.4 46.3 0.2 16 16 A K H > + 0 0 103 -3,-0.4 4,-2.5 1,-0.2 5,-0.2 0.832 69.5 55.1 -61.9 -36.7 116.6 47.5 -1.2 17 17 A A H > S+ 0 0 8 192,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.938 112.9 42.2 -64.3 -46.3 115.6 47.7 -4.8 18 18 A Q H > S+ 0 0 38 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.899 115.0 52.0 -67.6 -39.7 112.6 49.9 -4.1 19 19 A A H X S+ 0 0 18 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.902 107.2 51.6 -63.2 -41.8 114.6 52.0 -1.7 20 20 A Q H < S+ 0 0 79 -4,-2.5 4,-0.3 2,-0.2 -1,-0.2 0.881 115.8 41.4 -61.0 -37.5 117.4 52.6 -4.2 21 21 A S H >< S+ 0 0 22 -4,-1.6 3,-1.7 -5,-0.2 4,-0.3 0.911 111.3 55.5 -77.9 -41.8 114.9 53.8 -6.8 22 22 A W H >< S+ 0 0 21 -4,-3.1 3,-2.2 1,-0.3 6,-0.5 0.872 96.8 67.1 -58.7 -34.6 112.8 55.8 -4.3 23 23 A K T 3< S+ 0 0 141 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.721 97.8 51.9 -61.4 -23.2 116.0 57.8 -3.3 24 24 A D T < S+ 0 0 112 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.436 92.5 101.8 -92.4 0.6 116.2 59.4 -6.7 25 25 A T S <> S- 0 0 6 -3,-2.2 4,-1.1 -4,-0.3 3,-0.2 -0.387 83.1-116.5 -87.1 159.0 112.5 60.6 -6.7 26 26 A A T >4 S+ 0 0 71 150,-0.4 3,-0.7 1,-0.2 4,-0.2 0.899 115.6 62.0 -60.0 -36.7 111.2 64.1 -5.9 27 27 A H G >4 S+ 0 0 39 1,-0.3 59,-2.5 150,-0.3 3,-1.8 0.934 101.9 49.5 -56.2 -44.2 109.5 62.6 -2.9 28 28 A A G 34 S+ 0 0 21 -6,-0.5 3,-0.3 1,-0.3 -1,-0.3 0.813 114.2 45.7 -66.3 -25.2 112.8 61.6 -1.3 29 29 A K G XX S+ 0 0 109 -4,-1.1 3,-1.3 -3,-0.7 4,-1.0 0.238 78.9 116.4 -98.9 13.9 114.2 65.1 -1.9 30 30 A A T <4 S+ 0 0 9 -3,-1.8 4,-0.4 1,-0.3 3,-0.3 0.799 72.7 51.7 -57.9 -34.1 111.1 66.9 -0.6 31 31 A M T >4 S+ 0 0 15 -3,-0.3 3,-1.2 -4,-0.2 4,-0.3 0.782 99.0 65.8 -73.7 -22.8 112.8 68.5 2.3 32 32 A E G X4 S+ 0 0 91 -3,-1.3 3,-1.7 1,-0.3 -1,-0.2 0.884 94.3 60.7 -63.9 -30.2 115.4 69.9 0.0 33 33 A S G 3< S+ 0 0 22 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.713 97.3 58.7 -66.1 -24.6 112.7 72.0 -1.6 34 34 A L G < S+ 0 0 12 -3,-1.2 20,-2.7 -4,-0.4 21,-0.5 0.472 87.6 101.8 -84.0 -5.2 112.0 73.7 1.7 35 35 A K S X S- 0 0 76 -3,-1.7 3,-1.5 -4,-0.3 17,-0.1 -0.470 86.3 -89.0 -81.8 152.3 115.6 75.0 1.9 36 36 A P T 3 S+ 0 0 49 0, 0.0 15,-0.2 0, 0.0 -1,-0.1 -0.293 107.8 9.3 -59.0 139.5 116.6 78.5 1.1 37 37 A N T 3 S+ 0 0 85 13,-3.2 2,-0.4 1,-0.2 3,-0.4 0.574 94.6 123.1 68.6 11.5 117.5 79.2 -2.5 38 38 A V S < S+ 0 0 47 -3,-1.5 -1,-0.2 1,-0.2 5,-0.1 -0.881 81.8 2.2-102.5 136.1 116.3 75.8 -3.8 39 39 A K S > S+ 0 0 125 -2,-0.4 4,-2.3 -3,-0.1 -1,-0.2 0.917 79.2 168.0 55.7 47.4 113.6 75.9 -6.6 40 40 A K H > + 0 0 102 -3,-0.4 4,-2.4 1,-0.2 5,-0.2 0.901 68.3 50.6 -58.9 -41.4 113.7 79.6 -6.6 41 41 A E H > S+ 0 0 167 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.926 110.8 48.2 -66.2 -45.1 111.6 80.0 -9.8 42 42 A A H > S+ 0 0 27 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.920 111.6 50.3 -62.2 -40.8 108.8 77.7 -8.6 43 43 A K H <>S+ 0 0 9 -4,-2.3 5,-2.8 1,-0.2 4,-0.3 0.923 109.1 51.3 -63.7 -42.2 108.6 79.5 -5.3 44 44 A Q H ><5S+ 0 0 120 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.920 107.2 53.5 -61.1 -43.3 108.4 82.9 -7.0 45 45 A K H 3<5S+ 0 0 112 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.878 111.6 45.5 -59.3 -34.1 105.6 81.7 -9.2 46 46 A A T 3<5S- 0 0 16 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.370 118.3-114.2 -90.8 7.5 103.7 80.6 -6.0 47 47 A K T < 5S+ 0 0 192 -3,-1.6 -3,-0.2 -4,-0.3 2,-0.2 0.759 71.2 136.7 62.8 30.7 104.5 84.0 -4.3 48 48 A L < - 0 0 49 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.0 -0.537 65.5 -94.3 -94.7 170.6 106.7 82.3 -1.7 49 49 A D > - 0 0 76 -2,-0.2 3,-1.2 1,-0.1 -12,-0.1 -0.784 27.6-157.2 -91.7 113.5 110.1 83.7 -0.6 50 50 A P T 3 S+ 0 0 29 0, 0.0 -13,-3.2 0, 0.0 -12,-0.2 0.679 92.5 45.3 -63.2 -20.1 113.0 82.1 -2.6 51 51 A A T 3 S+ 0 0 56 -15,-0.2 2,-0.2 -14,-0.1 -2,-0.0 0.497 88.7 108.6-102.7 -2.6 115.5 82.8 0.1 52 52 A K < - 0 0 87 -3,-1.2 2,-0.9 -17,-0.1 -15,-0.1 -0.463 69.6-126.0 -78.5 147.0 113.5 81.8 3.2 53 53 A D + 0 0 81 -2,-0.2 3,-0.3 1,-0.1 -18,-0.2 -0.790 33.9 169.3 -90.8 107.6 114.3 78.7 5.2 54 54 A Y > + 0 0 22 -20,-2.7 3,-1.7 -2,-0.9 7,-0.2 0.317 46.6 104.9 -99.4 11.3 111.0 76.8 5.3 55 55 A T T 3 S+ 0 0 28 -21,-0.5 -1,-0.2 1,-0.3 -20,-0.1 0.633 89.7 33.5 -71.3 -14.0 112.5 73.6 6.8 56 56 A Q T 3 S+ 0 0 138 -3,-0.3 2,-0.6 -22,-0.2 -1,-0.3 0.076 90.6 120.1-122.3 22.3 111.1 74.2 10.3 57 57 A D X> - 0 0 31 -3,-1.7 4,-2.7 1,-0.1 3,-2.3 -0.784 53.2-154.6 -94.8 117.3 107.8 75.9 9.1 58 58 A K T 34 S+ 0 0 148 -2,-0.6 4,-0.3 1,-0.3 -1,-0.1 0.613 94.6 65.5 -64.5 -13.5 104.7 74.1 10.3 59 59 A D T 34 S+ 0 0 100 2,-0.1 -1,-0.3 1,-0.1 -5,-0.0 0.461 118.6 22.5 -82.7 0.6 102.8 75.6 7.3 60 60 A C T X4 S+ 0 0 27 -3,-2.3 3,-1.5 -6,-0.2 4,-0.3 0.678 104.3 70.0-133.5 -38.7 105.2 73.5 5.0 61 61 A V G >< S+ 0 0 0 -4,-2.7 3,-2.3 1,-0.3 4,-0.4 0.778 80.8 76.9 -64.3 -25.6 106.8 70.5 6.5 62 62 A G G 3 S+ 0 0 25 -4,-0.3 6,-0.4 1,-0.3 -1,-0.3 0.702 101.6 39.7 -60.8 -23.9 103.7 68.3 6.9 63 63 A C G < S+ 0 0 45 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.353 113.2 55.9-104.3 7.1 103.6 67.4 3.2 64 64 A H S < S+ 0 0 49 -3,-2.3 21,-1.2 -4,-0.3 2,-0.3 0.200 108.3 42.3-119.3 10.7 107.4 67.0 2.9 65 65 A V B S-A 84 0A 4 -4,-0.4 2,-0.4 -3,-0.2 3,-0.4 -0.903 90.4 -85.2-144.3 172.6 108.0 64.4 5.6 66 66 A D S S- 0 0 0 17,-2.8 8,-2.6 19,-0.3 4,-0.1 -0.749 95.3 -10.6 -89.9 130.7 106.5 61.2 6.9 67 67 A G S > S- 0 0 4 -2,-0.4 3,-2.3 6,-0.2 6,-0.3 0.751 71.5-173.9 65.9 33.3 103.7 61.2 9.5 68 68 A F T 3 S+ 0 0 69 -6,-0.4 -1,-0.2 -3,-0.4 7,-0.1 -0.382 76.3 7.7 -64.9 134.4 103.6 64.9 10.6 69 69 A G T 3 S+ 0 0 78 5,-0.8 2,-0.3 1,-0.3 -1,-0.3 0.531 112.4 108.0 73.7 7.2 101.2 65.4 13.4 70 70 A Q S X S- 0 0 88 -3,-2.3 3,-2.1 4,-0.2 -1,-0.3 -0.788 84.2 -80.5-117.1 156.2 100.7 61.6 13.7 71 71 A K T 3 S+ 0 0 105 -2,-0.3 -66,-2.8 1,-0.3 3,-0.1 -0.327 115.9 5.0 -61.9 130.5 101.9 59.2 16.3 72 72 A G T 3 S+ 0 0 46 -68,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.318 107.4 125.9 79.9 -3.8 105.6 58.2 15.8 73 73 A G < - 0 0 11 -3,-2.1 -6,-0.2 -6,-0.3 -1,-0.2 -0.017 67.6 -58.8 -82.3 179.6 105.9 60.7 12.9 74 74 A Y - 0 0 14 -8,-2.6 -5,-0.8 9,-0.2 2,-0.4 -0.283 49.1-171.5 -55.7 135.9 108.1 63.6 12.1 75 75 A T - 0 0 66 3,-0.4 3,-0.1 -7,-0.1 5,-0.1 -0.985 28.5-137.6-129.5 145.2 108.4 66.5 14.5 76 76 A I S S+ 0 0 44 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.882 105.6 57.7 -65.7 -33.8 110.1 69.8 14.0 77 77 A E S S+ 0 0 191 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.848 126.9 13.8 -68.3 -31.4 111.4 69.6 17.6 78 78 A S S S- 0 0 87 -3,-0.1 2,-0.7 2,-0.0 -3,-0.4 -0.587 82.8-170.1-144.5 77.6 113.2 66.3 17.0 79 79 A P - 0 0 58 0, 0.0 -3,-0.1 0, 0.0 -5,-0.1 -0.570 11.4-146.6 -77.6 111.2 113.3 65.6 13.2 80 80 A K > - 0 0 114 -2,-0.7 3,-2.2 1,-0.2 4,-0.4 -0.527 10.8-141.4 -80.4 129.7 114.4 62.2 12.3 81 81 A P G > S+ 0 0 107 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.875 104.2 59.1 -51.9 -39.9 116.4 61.8 9.1 82 82 A M G 3 S+ 0 0 31 1,-0.3 -74,-2.3 -76,-0.1 -73,-0.1 0.441 109.1 42.5 -72.8 2.1 114.5 58.5 8.4 83 83 A L G < S+ 0 0 3 -3,-2.2 -17,-2.8 -76,-0.2 2,-0.4 0.235 92.1 108.9-120.3 6.7 111.2 60.4 8.4 84 84 A T B < S+A 65 0A 38 -3,-1.5 -19,-0.2 -4,-0.4 -54,-0.1 -0.713 73.4 19.4 -88.5 133.7 112.6 63.3 6.3 85 85 A G S S- 0 0 0 -21,-1.2 2,-1.1 -2,-0.4 -19,-0.3 -0.148 112.6 -61.8 88.8 161.6 111.3 63.5 2.8 86 86 A V S S+ 0 0 16 -59,-2.5 -56,-0.1 -60,-0.2 -2,-0.1 -0.758 78.7 173.8 -89.1 105.1 108.1 61.7 1.7 87 87 A G >> - 0 0 3 -2,-1.1 3,-1.1 -4,-0.2 4,-0.8 -0.136 42.2 -62.8-105.3-162.9 109.0 58.1 2.4 88 88 A C H >> S+ 0 0 27 1,-0.3 4,-2.7 2,-0.2 3,-0.9 0.852 125.2 47.2 -55.6 -46.3 107.7 54.6 2.5 89 89 A E H 3> S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.746 96.2 73.1 -73.2 -21.8 105.1 54.9 5.1 90 90 A S H <4 S+ 0 0 25 -3,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.813 117.6 20.4 -61.3 -26.6 103.7 58.1 3.6 91 91 A C H << S+ 0 0 35 -3,-0.9 -2,-0.2 -4,-0.8 39,-0.2 0.792 131.2 41.9-104.1 -43.7 102.2 55.8 0.9 92 92 A H H < S- 0 0 65 -4,-2.7 35,-2.5 -5,-0.2 -3,-0.2 0.540 113.1-106.8 -85.7 -4.0 102.2 52.4 2.4 93 93 A G < - 0 0 0 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 -0.057 51.6 -46.0 98.1 156.1 100.9 53.4 5.8 94 94 A P - 0 0 0 0, 0.0 4,-0.3 0, 0.0 3,-0.3 -0.456 56.7-159.3 -60.2 134.8 102.6 53.7 9.2 95 95 A G > + 0 0 2 1,-0.2 4,-2.4 2,-0.1 5,-0.3 0.357 57.2 105.8-107.9 6.7 104.6 50.5 9.7 96 96 A R T 4 S+ 0 0 135 -92,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.824 95.0 32.7 -57.3 -37.3 105.3 49.9 13.3 97 97 A N T 4 S+ 0 0 73 27,-0.4 4,-0.4 -3,-0.3 -1,-0.2 0.785 122.9 43.0 -89.0 -33.6 102.7 47.1 13.5 98 98 A F T >> S+ 0 0 10 26,-0.4 4,-1.5 -4,-0.3 3,-0.8 0.791 96.1 73.4 -87.8 -21.0 102.9 45.6 10.1 99 99 A R H 3X S+ 0 0 87 -4,-2.4 4,-1.5 1,-0.3 -1,-0.2 0.836 94.8 53.7 -61.8 -34.3 106.6 45.5 9.5 100 100 A G H 3> S+ 0 0 31 -4,-0.3 4,-2.7 -5,-0.3 -1,-0.3 0.794 105.1 55.0 -68.8 -31.3 107.0 42.6 11.9 101 101 A D H <> S+ 0 0 27 -3,-0.8 4,-2.8 -4,-0.4 5,-0.3 0.798 102.9 56.5 -69.0 -34.1 104.4 40.6 9.9 102 102 A H H X S+ 0 0 45 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.940 111.6 44.1 -63.1 -40.6 106.5 41.2 6.7 103 103 A R H X S+ 0 0 142 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.966 118.4 41.6 -67.2 -50.5 109.4 39.5 8.5 104 104 A K H X S+ 0 0 111 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.906 117.2 46.3 -66.1 -41.3 107.4 36.7 10.0 105 105 A S H X S+ 0 0 9 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.875 111.6 52.9 -70.2 -33.8 105.3 36.0 6.9 106 106 A G H X S+ 0 0 26 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.904 111.4 46.1 -64.8 -44.6 108.5 36.1 4.7 107 107 A Q H X S+ 0 0 56 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.903 111.5 51.9 -64.9 -41.7 110.1 33.5 7.0 108 108 A A H X S+ 0 0 31 -4,-2.7 4,-2.2 1,-0.2 6,-1.1 0.896 112.6 46.0 -61.9 -42.7 107.0 31.3 6.9 109 109 A F H X S+ 0 0 51 -4,-2.3 4,-2.6 4,-0.3 -2,-0.2 0.949 112.5 49.0 -65.5 -46.1 107.0 31.5 3.2 110 110 A E H < S+ 0 0 157 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.898 119.3 39.7 -61.9 -36.0 110.7 30.7 2.8 111 111 A K H < S+ 0 0 142 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.793 140.1 0.9 -85.7 -28.5 110.4 27.8 5.2 112 112 A S H < S- 0 0 81 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.340 89.1-110.5-143.8 5.8 107.2 26.3 4.1 113 113 A G < + 0 0 42 -4,-2.6 -4,-0.3 -5,-0.3 2,-0.2 0.587 60.5 157.9 72.4 12.5 105.6 28.1 1.3 114 114 A K - 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0 0 27 -5,-2.4 2,-0.5 -8,-0.1 -1,-0.3 -0.456 40.9-135.9 -74.3 143.9 99.1 48.8 5.8 127 127 A D + 0 0 28 -35,-2.5 67,-0.1 -2,-0.1 -1,-0.1 -0.854 30.5 167.5-101.8 126.3 97.5 50.8 2.9 128 128 A F S S+ 0 0 25 -2,-0.5 67,-0.2 65,-0.1 -1,-0.1 0.113 78.9 48.9-116.4 15.9 96.7 49.0 -0.3 129 129 A H - 0 0 113 65,-0.1 2,-1.3 66,-0.1 66,-0.1 0.675 70.0-178.4-123.2 -40.6 94.6 51.7 -1.9 130 130 A F > + 0 0 26 -39,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.040 47.2 107.2 69.8 -31.4 96.7 54.9 -1.5 131 131 A E H > S+ 0 0 71 -2,-1.3 4,-2.6 1,-0.2 5,-0.2 0.850 79.1 48.5 -52.3 -47.9 94.4 57.5 -3.0 132 132 A E H > S+ 0 0 114 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.909 112.7 49.9 -60.4 -44.4 93.4 59.2 0.3 133 133 A R H > S+ 0 0 62 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.929 112.3 45.3 -60.8 -43.9 97.0 59.5 1.3 134 134 A C H >X S+ 0 0 23 -4,-2.5 4,-3.0 1,-0.2 3,-1.1 0.930 113.3 52.7 -64.8 -38.1 98.2 61.0 -2.0 135 135 A S H 3X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.3 -1,-0.2 0.808 95.7 66.0 -66.5 -37.0 95.2 63.3 -1.9 136 136 A A H 3< S+ 0 0 34 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.727 117.9 26.5 -59.5 -22.5 95.9 64.6 1.6 137 137 A C H X< S+ 0 0 42 -3,-1.1 3,-0.6 -4,-0.6 -2,-0.2 0.804 129.7 38.6-101.6 -47.6 99.1 66.2 0.2 138 138 A H H 3< S+ 0 0 78 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.731 124.0 34.4 -81.8 -22.7 98.3 66.7 -3.5 139 139 A L T 3< S+ 0 0 21 -4,-2.6 2,-1.4 -5,-0.2 7,-0.4 0.061 81.5 119.3-120.1 25.0 94.7 67.9 -3.3 140 140 A N < + 0 0 4 -3,-0.6 14,-2.5 9,-0.1 2,-0.3 -0.661 45.6 108.0 -97.3 81.1 94.8 69.8 -0.1 141 141 A Y S > S- 0 0 33 -2,-1.4 3,-1.9 12,-0.2 8,-0.1 -0.964 77.9 -69.9-147.3 165.6 93.9 73.3 -1.2 142 142 A E T 3 S+ 0 0 153 -2,-0.3 8,-0.0 1,-0.3 -2,-0.0 -0.350 117.0 3.6 -63.1 130.0 91.0 75.6 -0.9 143 143 A G T 3 S+ 0 0 78 1,-0.2 -1,-0.3 6,-0.1 4,-0.1 0.619 91.5 162.0 72.3 13.8 88.0 74.5 -2.9 144 144 A S < - 0 0 6 -3,-1.9 -1,-0.2 2,-0.2 5,-0.1 -0.282 52.8-118.8 -65.1 155.3 89.7 71.3 -4.0 145 145 A P S S+ 0 0 104 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.731 97.5 87.0 -62.9 -23.2 87.6 68.4 -5.3 146 146 A W S > S- 0 0 32 -7,-0.4 3,-1.4 1,-0.1 -5,-0.2 -0.700 72.3-153.0 -81.8 119.9 88.9 66.4 -2.4 147 147 A K T 3 S+ 0 0 196 -2,-0.6 -1,-0.1 1,-0.3 -7,-0.0 0.519 83.7 71.8 -79.0 1.2 86.7 67.0 0.6 148 148 A G T 3 + 0 0 32 -9,-0.1 -1,-0.3 -16,-0.0 -8,-0.1 0.483 69.7 136.3 -89.5 5.5 89.2 66.4 3.3 149 149 A A < + 0 0 29 -3,-1.4 2,-0.3 -10,-0.2 -6,-0.1 -0.202 18.8 147.5 -63.0 133.7 91.0 69.7 2.5 150 150 A K - 0 0 100 2,-0.2 -2,-0.0 -8,-0.0 -8,-0.0 -0.962 40.5 -43.3-160.6 149.0 92.1 71.8 5.4 151 151 A A S S+ 0 0 66 -2,-0.3 2,-0.1 2,-0.1 -10,-0.1 -0.168 100.4 60.0 -61.4 153.1 94.9 74.2 6.2 152 152 A P S S- 0 0 64 0, 0.0 -2,-0.2 0, 0.0 2,-0.2 0.449 82.4-162.8 -73.1 140.0 97.8 74.4 5.8 153 153 A Y - 0 0 93 -2,-0.1 -12,-0.2 1,-0.1 -2,-0.1 -0.569 25.5 -99.2 -91.9 157.1 97.3 74.1 2.1 154 154 A T - 0 0 30 -14,-2.5 -1,-0.1 -2,-0.2 -94,-0.1 -0.552 23.2-147.9 -71.9 134.0 99.7 73.3 -0.6 155 155 A P S S+ 0 0 52 0, 0.0 2,-1.1 0, 0.0 -1,-0.2 0.608 82.9 81.8 -73.4 -13.8 100.9 76.5 -2.3 156 156 A F + 0 0 49 4,-0.1 -2,-0.1 3,-0.1 -113,-0.0 -0.711 63.9 148.4-101.1 89.1 101.3 74.6 -5.6 157 157 A T >> - 0 0 17 -2,-1.1 4,-2.1 1,-0.1 3,-0.8 -0.623 64.6 -97.4-118.7 167.9 97.8 74.4 -7.1 158 158 A P T 34 S+ 0 0 42 0, 0.0 7,-0.1 0, 0.0 5,-0.1 0.814 122.2 61.0 -55.5 -30.6 96.3 74.3 -10.6 159 159 A E T 34 S+ 0 0 189 1,-0.2 3,-0.2 2,-0.1 -3,-0.1 0.900 106.3 45.0 -59.7 -43.3 95.7 78.1 -10.2 160 160 A V T <4 S- 0 0 36 -3,-0.8 2,-0.3 1,-0.3 -1,-0.2 0.949 139.4 -18.8 -64.8 -47.6 99.5 78.6 -9.9 161 161 A D >< - 0 0 42 -4,-2.1 3,-2.3 1,-0.0 -1,-0.3 -0.926 54.2-128.0-163.2 137.1 100.2 76.2 -12.8 162 162 A A G > S+ 0 0 74 1,-0.3 3,-1.8 -2,-0.3 -3,-0.1 0.696 102.6 76.8 -62.1 -18.5 98.3 73.5 -14.6 163 163 A K G 3 S+ 0 0 138 1,-0.3 -1,-0.3 -6,-0.1 -6,-0.0 0.704 85.6 63.0 -67.1 -13.5 101.2 71.2 -14.0 164 164 A Y G < S+ 0 0 54 -3,-2.3 2,-0.3 -7,-0.3 -1,-0.3 0.327 72.7 121.2 -91.9 5.7 100.1 70.8 -10.4 165 165 A T < - 0 0 55 -3,-1.8 2,-0.5 -8,-0.2 -26,-0.1 -0.572 53.3-151.5 -67.9 136.6 96.8 69.2 -11.5 166 166 A F + 0 0 20 -2,-0.3 2,-0.5 -28,-0.1 -2,-0.1 -0.944 23.7 174.8-122.4 122.6 96.6 65.8 -9.8 167 167 A K >> - 0 0 123 -2,-0.5 4,-2.9 1,-0.2 3,-1.2 -0.956 18.7-154.9-127.3 109.1 94.8 62.8 -11.1 168 168 A F H 3> S+ 0 0 9 -2,-0.5 4,-2.7 1,-0.3 5,-0.2 0.890 90.4 55.2 -51.2 -48.8 95.4 59.7 -9.0 169 169 A D H 34 S+ 0 0 80 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.749 117.0 38.2 -61.9 -24.8 94.8 57.1 -11.6 170 170 A E H X4 S+ 0 0 141 -3,-1.2 3,-1.3 2,-0.1 -2,-0.2 0.886 117.3 45.8 -86.7 -49.6 97.4 58.7 -13.8 171 171 A M H >< S+ 0 0 74 -4,-2.9 3,-1.6 1,-0.3 -2,-0.2 0.763 100.7 64.6 -73.3 -22.7 100.0 59.7 -11.4 172 172 A V T 3< S+ 0 0 8 -4,-2.7 -1,-0.3 -5,-0.3 -3,-0.1 0.670 100.0 58.2 -71.7 -9.4 100.1 56.5 -9.4 173 173 A K T < S+ 0 0 84 -3,-1.3 2,-0.9 -5,-0.2 -1,-0.3 0.228 78.0 102.2-101.7 13.9 101.4 55.0 -12.7 174 174 A E X> - 0 0 86 -3,-1.6 3,-1.8 1,-0.2 4,-1.1 -0.831 52.2-171.5 -95.5 100.6 104.4 57.3 -12.9 175 175 A V T 34 S+ 0 0 40 -2,-0.9 3,-0.4 1,-0.3 -1,-0.2 0.852 82.5 61.9 -64.4 -31.1 107.3 55.1 -11.8 176 176 A K T 34 S+ 0 0 119 1,-0.2 -150,-0.4 -3,-0.1 -1,-0.3 0.610 109.5 42.5 -70.9 -8.6 109.6 58.0 -11.7 177 177 A A T <4 S+ 0 0 32 -3,-1.8 -150,-0.3 -6,-0.2 -1,-0.2 0.602 127.9 27.1-107.0 -15.7 107.4 59.5 -9.0 178 178 A M S < S- 0 0 41 -4,-1.1 2,-0.3 -3,-0.4 -3,-0.2 0.746 114.1 -90.5-100.4 -87.2 106.7 56.4 -7.0 179 179 A H - 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0 0 59 -2,-0.1 -2,-0.1 -64,-0.0 -65,-0.1 -0.957 44.9-105.0-121.5 132.8 94.7 44.3 -3.2 194 194 A F > - 0 0 21 -2,-0.4 3,-2.3 1,-0.1 4,-0.4 -0.351 30.2-124.2 -58.0 133.0 95.7 47.5 -5.0 195 195 A K T 3 S+ 0 0 114 1,-0.3 4,-0.2 -67,-0.2 -1,-0.1 0.679 109.8 39.8 -52.7 -26.0 93.7 47.8 -8.2 196 196 A F T 3> S+ 0 0 31 1,-0.1 4,-2.8 2,-0.1 -1,-0.3 0.242 84.1 105.6-108.2 10.2 96.8 48.1 -10.3 197 197 A H H <> S+ 0 0 39 -3,-2.3 4,-2.6 2,-0.2 5,-0.2 0.937 82.3 44.5 -56.2 -49.2 98.9 45.5 -8.5 198 198 A D H > S+ 0 0 96 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.925 114.7 50.4 -65.1 -39.8 98.6 42.7 -11.1 199 199 A E H > S+ 0 0 91 -4,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.942 112.8 45.8 -59.8 -46.6 99.3 45.3 -13.9 200 200 A F H < S+ 0 0 25 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.900 114.7 47.6 -65.9 -33.7 102.4 46.6 -12.0 201 201 A Q H >< S+ 0 0 23 -4,-2.6 3,-0.9 -5,-0.2 -1,-0.2 0.878 103.6 61.5 -76.4 -32.6 103.7 43.1 -11.3 202 202 A A H 3< S+ 0 0 90 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.837 117.7 29.5 -63.2 -32.0 103.1 41.9 -14.9 203 203 A S T 3< S+ 0 0 76 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.277 94.3 130.5-111.0 14.9 105.6 44.5 -16.1 204 204 A A < - 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