==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 07-APR-11 3RFW . COMPND 2 MOLECULE: CELL-BINDING FACTOR 2; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR A.KALE,C.PHANSOPA,C.SUWANNACHART,C.J.CRAVEN,J.RAFFERTY,D.J.K . 252 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17225.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 12.7 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 . 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 . 11 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 46.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 1 0 2 1 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 2 1 0 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 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 22 A A 0 0 84 0, 0.0 12,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 152.2 7.5 -9.1 52.8 2 23 A T E +A 12 0A 82 10,-0.3 10,-0.3 1,-0.2 3,-0.1 -0.646 360.0 169.0 -89.8 124.8 4.1 -9.3 54.4 3 24 A V E - 0 0 55 8,-3.5 2,-0.3 -2,-0.4 9,-0.2 0.461 69.5 -3.1-110.4 -11.2 2.6 -6.0 55.5 4 25 A A E -A 11 0A 23 7,-1.2 7,-3.3 2,-0.0 -1,-0.4 -0.960 56.9-138.2-168.4 161.3 -0.9 -7.3 56.2 5 26 A T E -A 10 0A 89 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.962 12.2-160.5-127.9 147.5 -3.1 -10.4 56.0 6 27 A V E > S-A 9 0A 17 3,-2.4 3,-2.2 -2,-0.4 -2,-0.0 -0.981 79.9 -20.7-133.2 117.6 -6.7 -10.3 54.9 7 28 A N T 3 S- 0 0 154 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.813 133.1 -47.9 46.2 37.6 -8.9 -13.3 55.9 8 29 A G T 3 S+ 0 0 66 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.085 113.7 119.1 97.8 -23.5 -5.6 -15.2 56.4 9 30 A K E < -A 6 0A 90 -3,-2.2 -3,-2.4 1,-0.1 -1,-0.2 -0.668 62.7-120.2 -90.3 135.0 -4.0 -14.2 53.1 10 31 A S E -A 5 0A 61 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.3 -0.269 15.0-156.7 -72.0 138.8 -0.8 -12.3 53.0 11 32 A I E -A 4 0A 0 -7,-3.3 -8,-3.5 -2,-0.0 -7,-1.2 -0.991 18.1-149.2-112.7 120.2 -0.4 -8.9 51.4 12 33 A S E > -A 2 0A 28 -2,-0.5 4,-1.2 -10,-0.3 -10,-0.3 -0.501 22.4-126.0 -79.4 160.3 3.2 -8.2 50.4 13 34 A D H > S+ 0 0 57 -12,-2.4 4,-3.3 1,-0.2 5,-0.2 0.851 110.3 65.9 -67.8 -32.3 4.9 -4.8 50.2 14 35 A T H > S+ 0 0 73 -13,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.847 102.5 42.2 -50.9 -53.0 5.8 -5.8 46.7 15 36 A E H > S+ 0 0 50 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.824 116.1 48.6 -73.4 -32.9 2.2 -5.8 45.4 16 37 A V H X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.942 113.4 48.3 -64.7 -53.3 1.3 -2.6 47.3 17 38 A S H X S+ 0 0 28 -4,-3.3 4,-1.4 1,-0.2 -2,-0.2 0.918 112.6 47.8 -50.1 -47.9 4.4 -0.9 45.9 18 39 A E H < S+ 0 0 147 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.864 109.1 54.2 -66.6 -37.0 3.6 -2.1 42.3 19 40 A F H < S+ 0 0 91 -4,-1.8 4,-0.2 1,-0.2 -1,-0.2 0.880 118.3 34.4 -62.2 -38.8 0.0 -1.0 42.6 20 41 A F H X S+ 0 0 9 -4,-1.8 4,-1.8 -3,-0.2 3,-0.4 0.528 87.0 99.6 -97.4 -8.0 1.1 2.6 43.6 21 42 A A H X>S+ 0 0 50 -4,-1.4 4,-1.1 1,-0.2 5,-0.6 0.885 81.5 54.4 -49.3 -41.4 4.3 2.9 41.5 22 43 A P H >45S+ 0 0 104 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.949 113.3 42.3 -55.7 -48.5 2.5 5.0 38.8 23 44 A M H 345S+ 0 0 126 -3,-0.4 -2,-0.2 -4,-0.2 -3,-0.1 0.707 107.7 60.7 -70.8 -24.8 1.2 7.5 41.4 24 45 A L H ><5S- 0 0 18 -4,-1.8 3,-1.6 -3,-0.3 -1,-0.2 0.662 91.0-147.5 -81.9 -17.3 4.5 7.6 43.3 25 46 A R T <<5S- 0 0 230 -4,-1.1 3,-0.1 -3,-0.8 -2,-0.1 0.844 72.7 -37.1 55.0 41.3 6.4 8.9 40.2 26 47 A G T 3 - 0 0 93 -2,-0.2 3,-2.9 1,-0.1 4,-0.3 -0.639 8.0-130.9 -80.0 132.1 10.0 4.2 46.4 29 50 A F G > S+ 0 0 10 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.846 105.5 63.9 -37.9 -48.6 7.2 2.9 48.6 30 51 A K G 3 S+ 0 0 61 1,-0.3 -1,-0.3 7,-0.0 7,-0.1 0.660 96.2 57.1 -57.8 -19.0 9.8 2.0 51.2 31 52 A T G < S+ 0 0 90 -3,-2.9 -1,-0.3 2,-0.1 -2,-0.2 0.413 82.7 106.6 -95.1 -3.0 10.9 5.6 51.7 32 53 A L S < S- 0 0 13 -3,-2.1 2,-0.1 -4,-0.3 5,-0.0 -0.480 82.5 -95.1 -72.4 149.7 7.5 6.9 52.7 33 54 A P >> - 0 0 64 0, 0.0 4,-2.2 0, 0.0 3,-1.8 -0.397 40.4-106.1 -57.9 142.8 6.7 7.8 56.3 34 55 A D H 3> S+ 0 0 128 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.707 119.4 52.2 -41.7 -37.7 5.0 5.0 58.3 35 56 A N H 3> S+ 0 0 117 2,-0.2 4,-1.7 1,-0.1 -1,-0.3 0.781 109.1 48.8 -80.0 -25.8 1.6 6.7 58.2 36 57 A Q H <> S+ 0 0 97 -3,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.923 110.4 51.5 -74.0 -39.7 1.7 7.1 54.5 37 58 A K H X S+ 0 0 56 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.920 110.8 50.3 -55.7 -45.8 2.6 3.5 54.0 38 59 A K H X S+ 0 0 77 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.908 108.2 50.2 -66.2 -42.8 -0.3 2.5 56.2 39 60 A A H X S+ 0 0 49 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.874 112.1 48.6 -63.6 -33.1 -2.8 4.6 54.3 40 61 A L H X S+ 0 0 17 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.922 109.3 52.4 -77.8 -38.5 -1.7 3.1 51.0 41 62 A I H X S+ 0 0 22 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.933 110.9 47.9 -58.3 -44.1 -1.9 -0.4 52.5 42 63 A Q H X S+ 0 0 131 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.905 111.7 49.3 -59.4 -54.3 -5.5 0.3 53.6 43 64 A Q H X S+ 0 0 114 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.929 112.2 48.8 -51.6 -42.0 -6.4 1.7 50.2 44 65 A Y H X S+ 0 0 23 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.924 109.7 51.0 -70.3 -39.8 -4.9 -1.4 48.5 45 66 A I H X S+ 0 0 37 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.895 109.4 51.5 -62.3 -38.7 -6.7 -3.8 50.8 46 67 A M H X S+ 0 0 114 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.944 109.9 48.7 -65.5 -46.7 -10.0 -2.0 50.0 47 68 A Q H X S+ 0 0 51 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.954 111.3 52.5 -53.9 -41.1 -9.2 -2.4 46.3 48 69 A D H X S+ 0 0 17 -4,-3.1 4,-2.1 1,-0.3 -2,-0.2 0.887 109.4 46.9 -67.0 -33.2 -8.5 -6.0 47.0 49 70 A L H X S+ 0 0 67 -4,-2.3 4,-2.2 2,-0.2 -1,-0.3 0.806 107.9 55.0 -82.0 -30.7 -11.8 -6.6 48.7 50 71 A I H X S+ 0 0 104 -4,-2.1 4,-2.7 -3,-0.2 -1,-0.2 0.920 108.0 51.4 -67.3 -38.2 -13.8 -4.8 46.0 51 72 A L H X S+ 0 0 72 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.944 110.7 48.0 -60.2 -47.5 -12.1 -7.3 43.5 52 73 A Q H X S+ 0 0 82 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.896 113.1 47.9 -60.7 -40.4 -13.2 -10.3 45.6 53 74 A D H X S+ 0 0 74 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.911 108.6 53.7 -68.3 -38.5 -16.7 -8.9 45.9 54 75 A A H <>S+ 0 0 29 -4,-2.7 5,-2.6 2,-0.2 6,-0.2 0.902 110.5 47.1 -60.4 -42.2 -16.9 -8.3 42.1 55 76 A K H ><5S+ 0 0 101 -4,-2.2 3,-2.4 1,-0.2 -1,-0.2 0.917 107.5 56.3 -66.8 -41.2 -15.9 -11.9 41.4 56 77 A K H 3<5S+ 0 0 170 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.814 109.1 47.2 -55.7 -33.8 -18.5 -13.1 44.0 57 78 A Q T 3<5S- 0 0 120 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.247 116.4-121.7 -91.7 12.5 -21.0 -11.1 42.0 58 79 A N T X 5 + 0 0 113 -3,-2.4 3,-1.7 -5,-0.1 4,-0.2 0.762 58.1 152.7 53.2 37.0 -19.6 -12.8 38.8 59 80 A L G > < + 0 0 70 -5,-2.6 3,-1.5 1,-0.3 6,-0.3 0.735 57.8 76.3 -75.3 -18.2 -18.8 -9.4 37.2 60 81 A E G 3 S+ 0 0 87 1,-0.3 -1,-0.3 -6,-0.2 -5,-0.1 0.671 95.3 50.8 -61.2 -16.4 -15.9 -11.0 35.1 61 82 A K G < S+ 0 0 94 -3,-1.7 -1,-0.3 4,-0.1 -2,-0.2 0.480 85.4 110.9 -96.3 -3.2 -18.7 -12.4 32.9 62 83 A D S X> S- 0 0 67 -3,-1.5 4,-2.1 -4,-0.2 3,-1.9 -0.480 72.8-134.7 -70.4 136.9 -20.3 -9.0 32.5 63 84 A P H 3> S+ 0 0 89 0, 0.0 4,-1.6 0, 0.0 5,-0.4 0.809 105.4 67.2 -70.1 -20.0 -19.9 -7.7 28.9 64 85 A L H 34 S+ 0 0 139 1,-0.2 4,-0.2 3,-0.1 -2,-0.1 0.755 111.0 37.2 -64.0 -22.5 -18.9 -4.4 30.4 65 86 A Y H <> S+ 0 0 99 -3,-1.9 4,-2.7 -6,-0.3 5,-0.2 0.882 117.3 44.9 -90.3 -51.6 -15.8 -6.3 31.6 66 87 A T H X S+ 0 0 57 -4,-2.1 4,-2.4 1,-0.2 5,-0.1 0.899 113.7 49.5 -70.3 -37.2 -14.9 -8.7 28.9 67 88 A K H X S+ 0 0 119 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.857 114.7 44.4 -68.6 -35.0 -15.3 -6.3 26.0 68 89 A E H > S+ 0 0 86 -5,-0.4 4,-2.7 -4,-0.2 -2,-0.2 0.862 112.1 52.3 -80.4 -30.9 -13.1 -3.6 27.7 69 90 A L H X S+ 0 0 79 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.893 108.2 51.1 -66.5 -40.6 -10.6 -6.2 28.7 70 91 A D H X S+ 0 0 85 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.927 112.9 47.4 -59.3 -43.5 -10.4 -7.4 25.0 71 92 A R H X S+ 0 0 136 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.927 112.9 46.9 -63.2 -48.3 -9.9 -3.8 24.0 72 93 A A H X S+ 0 0 43 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.879 108.9 55.2 -61.6 -42.9 -7.2 -3.1 26.7 73 94 A K H X S+ 0 0 119 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.972 113.2 41.1 -59.2 -46.0 -5.4 -6.3 25.8 74 95 A D H X S+ 0 0 104 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.950 115.9 50.2 -65.2 -43.5 -5.1 -5.3 22.1 75 96 A A H X S+ 0 0 61 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.855 110.1 49.3 -69.6 -33.4 -4.3 -1.6 22.9 76 97 A I H X S+ 0 0 108 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.905 110.5 49.9 -71.6 -41.0 -1.5 -2.5 25.4 77 98 A L H X S+ 0 0 122 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.909 110.6 50.2 -60.4 -43.2 0.2 -4.9 23.0 78 99 A V H X S+ 0 0 78 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.922 112.0 49.1 -62.0 -38.2 0.1 -2.3 20.2 79 100 A N H X S+ 0 0 88 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.886 108.9 50.2 -71.6 -40.3 1.7 0.2 22.6 80 101 A V H X S+ 0 0 66 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.931 110.6 52.5 -62.1 -41.7 4.4 -2.2 23.7 81 102 A Y H X S+ 0 0 108 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.935 112.3 43.2 -56.0 -48.1 5.1 -2.8 20.0 82 103 A Q H X S+ 0 0 76 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.859 110.9 57.3 -76.3 -26.2 5.4 1.0 19.3 83 104 A E H X S+ 0 0 94 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.875 102.7 52.0 -67.6 -41.5 7.5 1.4 22.4 84 105 A K H < S+ 0 0 143 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.921 112.5 48.3 -58.7 -39.7 10.1 -1.1 21.3 85 106 A I H >< S+ 0 0 21 -4,-1.6 3,-2.2 1,-0.2 -2,-0.2 0.968 107.6 53.7 -63.9 -48.3 10.3 0.9 18.1 86 107 A L H >< S+ 0 0 49 -4,-3.2 3,-1.6 1,-0.3 -1,-0.2 0.866 102.3 60.8 -52.6 -34.1 10.6 4.2 20.0 87 108 A N T 3< S+ 0 0 120 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.609 96.7 58.7 -74.1 -12.7 13.5 2.7 21.9 88 109 A T T < S+ 0 0 105 -3,-2.2 2,-0.6 -4,-0.4 -1,-0.3 0.301 84.2 103.8 -90.0 2.8 15.5 2.2 18.7 89 110 A I < + 0 0 14 -3,-1.6 2,-0.4 -4,-0.2 139,-0.1 -0.818 40.1 159.7 -95.4 120.1 15.4 6.0 17.9 90 111 A K - 0 0 85 -2,-0.6 2,-0.6 138,-0.0 -3,-0.0 -0.983 26.0-157.2-138.0 127.8 18.6 8.1 18.5 91 112 A I - 0 0 19 -2,-0.4 2,-0.1 3,-0.0 137,-0.1 -0.935 24.0-140.8 -98.4 117.3 19.5 11.4 17.1 92 113 A D >> - 0 0 86 -2,-0.6 4,-1.3 1,-0.1 3,-1.0 -0.380 27.6-100.5 -73.4 153.1 23.3 11.8 17.3 93 114 A A H 3> S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.866 117.8 62.3 -33.4 -47.5 24.9 15.2 18.2 94 115 A A H 3> S+ 0 0 69 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.850 100.7 49.0 -62.7 -37.5 25.7 15.9 14.5 95 116 A K H <> S+ 0 0 120 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.876 112.1 49.4 -67.9 -37.0 22.0 16.0 13.3 96 117 A V H X S+ 0 0 8 -4,-1.3 4,-2.0 -3,-0.3 -2,-0.2 0.987 115.9 42.0 -65.0 -56.5 21.0 18.3 16.1 97 118 A K H X S+ 0 0 49 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.910 113.2 54.4 -49.0 -52.1 23.9 20.7 15.4 98 119 A A H X S+ 0 0 37 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.875 107.6 49.5 -57.7 -38.6 23.3 20.4 11.6 99 120 A F H X S+ 0 0 72 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.865 112.4 48.0 -67.7 -42.9 19.6 21.4 12.0 100 121 A Y H >X S+ 0 0 18 -4,-2.0 3,-1.5 2,-0.2 4,-0.5 0.990 112.5 47.7 -57.2 -57.5 20.6 24.4 14.1 101 122 A D H >< S+ 0 0 102 -4,-3.0 3,-1.1 1,-0.3 4,-0.2 0.898 112.0 51.6 -52.6 -43.4 23.3 25.6 11.6 102 123 A Q H 3< S+ 0 0 144 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.716 121.1 31.6 -63.5 -29.0 20.9 25.1 8.7 103 124 A N H XX S+ 0 0 33 -3,-1.5 3,-3.0 -4,-1.0 4,-0.9 0.181 80.0 126.9-114.8 18.3 18.1 27.2 10.3 104 125 A K G X< + 0 0 64 -3,-1.1 3,-1.1 -4,-0.5 110,-0.2 0.824 70.0 56.0 -49.8 -40.3 20.4 29.6 12.2 105 126 A D G 34 S+ 0 0 117 1,-0.3 -1,-0.3 -4,-0.2 3,-0.1 0.511 104.4 52.8 -79.7 -4.7 18.7 32.7 10.8 106 127 A K G <4 S+ 0 0 158 -3,-3.0 2,-1.4 1,-0.2 -1,-0.3 0.585 89.9 79.2 -98.6 -16.9 15.2 31.6 12.0 107 128 A Y S << S+ 0 0 52 -3,-1.1 107,-2.6 -4,-0.9 2,-0.3 -0.494 76.3 115.7 -83.8 63.4 16.4 31.1 15.6 108 129 A V E -B 213 0B 35 -2,-1.4 105,-0.2 105,-0.2 103,-0.1 -0.958 67.4-126.9-130.7 150.3 16.3 34.9 16.3 109 130 A K E -B 212 0B 92 103,-3.0 103,-2.8 -2,-0.3 3,-0.1 -0.873 42.5-120.7 -91.9 127.8 14.4 37.2 18.5 110 131 A P - 0 0 64 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.182 29.0 -91.9 -74.7 159.2 12.9 39.9 16.3 111 132 A A - 0 0 32 100,-0.1 59,-0.4 97,-0.0 2,-0.3 -0.472 47.4-167.8 -70.4 139.6 13.7 43.6 16.7 112 133 A R E -C 209 0C 78 97,-2.1 97,-3.1 -2,-0.2 2,-0.3 -0.936 11.8-158.5-126.1 156.4 11.3 45.5 18.9 113 134 A V E -CD 208 168C 0 55,-2.6 55,-2.0 -2,-0.3 2,-0.5 -0.961 9.4-149.7-128.3 148.7 10.5 49.2 19.6 114 135 A Q E +CD 207 167C 37 93,-2.5 92,-3.0 -2,-0.3 93,-1.6 -0.968 38.6 154.2-112.8 116.6 8.8 50.8 22.6 115 136 A A E -C 205 0C 1 51,-1.2 50,-1.4 -2,-0.5 51,-0.4 -0.916 37.2-144.2-141.9 157.4 7.0 54.0 21.5 116 137 A K E -CD 204 164C 24 88,-3.1 88,-3.0 -2,-0.3 2,-0.3 -0.887 23.4-166.3-110.3 158.7 4.2 56.5 22.1 117 138 A H E -C 203 0C 9 46,-1.8 2,-0.4 -2,-0.3 86,-0.2 -0.946 18.3-149.7-139.9 161.2 2.2 58.3 19.5 118 139 A I E -C 202 0C 1 84,-1.9 84,-2.1 -2,-0.3 2,-0.4 -1.000 19.6-157.5-123.0 129.7 -0.2 61.2 18.9 119 140 A L E +C 201 0C 8 -2,-0.4 35,-2.8 82,-0.2 2,-0.3 -0.900 17.6 164.6-113.3 136.8 -2.8 60.9 16.1 120 141 A V E -C 200 0C 4 80,-1.8 80,-2.5 -2,-0.4 33,-0.1 -0.926 39.5-123.1-146.3 169.9 -4.5 63.8 14.4 121 142 A A S S+ 0 0 72 -2,-0.3 2,-0.4 78,-0.2 80,-0.1 0.620 86.6 54.9 -96.5 -11.6 -6.5 64.3 11.2 122 143 A T S > S- 0 0 65 78,-0.2 4,-1.8 1,-0.1 3,-0.3 -0.943 71.8-132.2-138.7 133.8 -4.5 67.0 9.5 123 144 A E H > S+ 0 0 92 -2,-0.4 4,-1.8 1,-0.2 5,-0.1 0.862 109.8 53.5 -52.4 -37.3 -0.8 67.4 8.5 124 145 A K H > S+ 0 0 70 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.842 103.4 53.7 -74.0 -36.2 -0.8 70.8 10.0 125 146 A E H > S+ 0 0 89 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.918 109.1 51.7 -60.0 -41.1 -2.1 69.7 13.4 126 147 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.882 108.1 50.4 -65.0 -37.5 0.8 67.2 13.4 127 148 A K H X S+ 0 0 98 -4,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.871 108.6 53.2 -66.7 -36.0 3.4 69.9 12.6 128 149 A D H X S+ 0 0 97 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.848 109.1 47.0 -70.4 -41.3 2.0 72.1 15.4 129 150 A I H X S+ 0 0 8 -4,-1.9 4,-1.5 2,-0.2 5,-0.2 0.952 111.3 52.8 -58.7 -47.0 2.4 69.3 18.0 130 151 A I H >X S+ 0 0 18 -4,-2.2 4,-1.2 1,-0.3 3,-0.7 0.938 109.9 50.4 -54.7 -45.3 5.9 68.8 16.6 131 152 A N H 3< S+ 0 0 110 -4,-3.0 3,-0.3 1,-0.2 -1,-0.3 0.842 104.5 54.7 -50.7 -52.8 6.4 72.5 17.2 132 153 A E H 3< S+ 0 0 136 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.773 116.0 40.2 -58.2 -27.9 5.2 72.5 20.8 133 154 A L H X< S+ 0 0 3 -4,-1.5 3,-2.0 -3,-0.7 -1,-0.2 0.557 85.1 121.3 -99.5 -14.5 7.8 69.8 21.5 134 155 A K T 3< S+ 0 0 70 -4,-1.2 3,-0.1 -3,-0.3 -3,-0.0 -0.259 78.4 19.7 -52.9 130.2 10.7 71.1 19.4 135 156 A G T 3 S+ 0 0 91 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.388 97.8 115.7 90.4 -2.8 13.8 71.7 21.6 136 157 A L < - 0 0 47 -3,-2.0 -1,-0.3 4,-0.1 2,-0.3 -0.677 42.5-172.6 -98.3 156.5 12.7 69.5 24.5 137 158 A K >> - 0 0 73 -2,-0.3 3,-1.2 -3,-0.1 4,-0.9 -0.959 36.2 -12.2-146.8 156.3 14.5 66.3 25.5 138 159 A G H 3> S- 0 0 45 49,-0.5 4,-2.1 -2,-0.3 3,-0.4 -0.094 120.1 -4.4 60.4-138.9 14.4 63.3 27.8 139 160 A K H 3> S+ 0 0 179 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.743 134.6 56.9 -66.2 -21.4 11.9 63.0 30.6 140 161 A E H <> S+ 0 0 67 -3,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.867 107.4 46.7 -75.0 -41.7 10.6 66.5 29.9 141 162 A L H X S+ 0 0 4 -4,-0.9 4,-2.4 -3,-0.4 -2,-0.2 0.863 112.7 52.9 -59.7 -38.9 9.8 65.6 26.3 142 163 A D H X S+ 0 0 53 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.982 110.2 44.0 -65.9 -54.7 8.1 62.5 27.6 143 164 A A H X S+ 0 0 62 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.923 116.6 46.7 -57.0 -50.9 5.8 64.2 30.1 144 165 A K H X S+ 0 0 66 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.892 111.3 53.3 -59.8 -40.4 4.9 67.0 27.6 145 166 A F H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.957 109.9 45.5 -55.9 -59.6 4.3 64.4 24.9 146 167 A S H X S+ 0 0 17 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.869 111.9 53.0 -55.0 -40.8 1.9 62.3 27.0 147 168 A E H X S+ 0 0 57 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.877 110.0 48.4 -62.1 -38.3 0.0 65.4 28.1 148 169 A L H X>S+ 0 0 18 -4,-2.0 4,-3.1 2,-0.2 5,-0.6 0.803 110.3 52.0 -70.0 -31.5 -0.4 66.4 24.4 149 170 A A H X5S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.947 110.3 46.6 -71.8 -49.3 -1.6 63.0 23.5 150 171 A K H <5S+ 0 0 108 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.917 120.5 43.2 -51.1 -43.5 -4.3 63.0 26.3 151 172 A E H <5S+ 0 0 92 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.910 133.6 6.5 -70.5 -50.7 -5.2 66.5 25.1 152 173 A K H <5S+ 0 0 73 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.1 0.579 87.7 118.7-122.7 -14.7 -5.2 66.3 21.3 153 174 A S << - 0 0 15 -4,-1.5 -33,-0.2 -5,-0.6 48,-0.0 -0.334 43.8-159.5 -60.9 142.6 -4.7 62.7 20.1 154 175 A I + 0 0 93 -35,-2.8 -1,-0.1 -2,-0.1 -34,-0.1 0.234 59.7 108.5-108.0 9.7 -7.6 61.3 18.1 155 176 A D >> - 0 0 34 -36,-0.3 4,-3.4 1,-0.2 3,-1.6 -0.783 49.3-168.1 -90.8 108.1 -6.6 57.6 18.7 156 177 A P T 34 S+ 0 0 112 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.778 84.0 65.8 -65.2 -24.8 -9.2 56.2 21.1 157 178 A G T 34 S+ 0 0 61 1,-0.1 -2,-0.0 -3,-0.1 -3,-0.0 0.687 126.6 0.3 -67.8 -22.1 -7.0 53.2 21.6 158 179 A S T X4>S+ 0 0 2 -3,-1.6 3,-2.6 -9,-0.1 5,-2.2 0.515 97.5 100.0-142.9 -22.8 -4.2 55.2 23.3 159 180 A K G ><5S+ 0 0 10 -4,-3.4 3,-1.2 1,-0.3 -6,-0.2 0.863 89.6 50.5 -45.9 -42.7 -5.1 58.9 23.7 160 181 A N G 3 5S+ 0 0 120 -4,-0.3 -1,-0.3 1,-0.3 -10,-0.1 0.616 106.0 55.1 -71.7 -21.4 -6.1 58.3 27.3 161 182 A Q G X 5S- 0 0 111 -3,-2.6 3,-0.9 3,-0.1 -1,-0.3 0.063 127.1 -94.5-101.6 26.4 -2.9 56.5 28.2 162 183 A G T < 5S- 0 0 1 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.2 0.731 77.9 -61.5 64.2 26.2 -0.7 59.4 27.0 163 184 A G T 3 > - 0 0 50 -2,-0.2 4,-2.6 1,-0.1 3,-0.8 -0.289 49.1-126.7 -63.2 134.5 1.4 49.3 9.2 175 196 A K H 3> S+ 0 0 57 1,-0.3 4,-4.6 2,-0.2 5,-0.3 0.850 104.6 56.4 -53.6 -46.9 4.8 49.7 7.5 176 197 A P H 3> S+ 0 0 62 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.883 114.7 39.7 -59.6 -36.6 4.8 53.5 7.2 177 198 A F H <> S+ 0 0 10 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.963 118.3 48.9 -68.2 -54.4 4.3 53.8 11.0 178 199 A T H X S+ 0 0 8 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.866 108.1 55.8 -48.7 -47.0 6.7 50.9 11.6 179 200 A D H X S+ 0 0 108 -4,-4.6 4,-1.5 -5,-0.2 -1,-0.2 0.938 110.7 42.2 -55.2 -53.6 9.3 52.4 9.3 180 201 A A H X S+ 0 0 25 -4,-1.5 4,-1.4 -5,-0.3 -2,-0.2 0.912 113.5 52.7 -64.2 -37.4 9.5 55.8 11.1 181 202 A A H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.875 110.7 46.2 -72.7 -36.6 9.4 54.2 14.6 182 203 A F H < S+ 0 0 74 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.779 109.9 56.2 -68.8 -28.2 12.4 51.8 13.8 183 204 A A H < S+ 0 0 83 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.816 90.2 93.0 -75.5 -28.5 14.3 54.7 12.2 184 205 A L S < S- 0 0 35 -4,-1.4 2,-0.2 -5,-0.1 6,-0.1 -0.195 75.6-118.9 -66.7 157.6 14.2 57.0 15.3 185 206 A K > - 0 0 112 4,-0.1 3,-1.3 1,-0.1 20,-0.3 -0.583 45.7 -85.5 -86.3 148.2 16.8 57.2 18.0 186 207 A N T 3 S+ 0 0 84 1,-0.2 20,-0.2 -2,-0.2 -1,-0.1 -0.272 113.6 20.4 -49.9 140.1 15.7 56.4 21.6 187 208 A G T 3 S+ 0 0 38 18,-2.8 -49,-0.5 1,-0.2 2,-0.3 0.603 105.1 109.1 76.7 11.9 14.1 59.3 23.5 188 209 A T E < -E 205 0C 53 -3,-1.3 17,-2.6 17,-0.6 2,-0.3 -0.854 57.3-133.8-123.4 161.2 13.3 61.2 20.3 189 210 A I E -E 204 0C 23 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.698 34.1 -95.9-106.6 154.3 10.2 62.2 18.3 190 211 A T - 0 0 10 13,-2.2 4,-0.1 -2,-0.3 -9,-0.0 -0.610 30.9-161.6 -58.8 115.7 9.4 62.1 14.6 191 212 A T S S+ 0 0 107 -2,-0.4 -1,-0.2 1,-0.1 11,-0.0 0.464 78.2 55.2 -84.4 -7.1 10.3 65.6 13.5 192 213 A T S S- 0 0 99 9,-0.0 -1,-0.1 -62,-0.0 9,-0.1 -0.999 98.4-105.8-124.6 133.7 8.1 65.0 10.4 193 214 A P - 0 0 19 0, 0.0 2,-0.5 0, 0.0 9,-0.2 -0.173 30.9-135.7 -44.5 136.5 4.5 63.8 10.5 194 215 A V E -F 201 0C 14 7,-2.0 7,-2.6 -4,-0.1 2,-0.5 -0.937 17.1-142.8-102.4 128.2 4.0 60.2 9.5 195 216 A K E +F 200 0C 60 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.768 32.0 146.9 -99.3 126.2 1.2 59.5 7.1 196 217 A T E > -F 199 0C 31 3,-2.8 3,-0.7 -2,-0.5 -21,-0.0 -0.765 63.9 -83.9-131.7-172.4 -1.1 56.4 7.3 197 218 A N T 3 S+ 0 0 110 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.626 127.8 54.2 -63.0 -19.9 -4.7 55.3 6.6 198 219 A F T 3 S- 0 0 155 1,-0.3 2,-0.4 -43,-0.0 -1,-0.2 0.632 118.4-106.7 -89.6 -18.2 -5.5 56.6 10.1 199 220 A G E < - F 0 196C 13 -3,-0.7 -3,-2.8 -80,-0.1 2,-0.5 -0.984 62.1 -15.5 131.7-142.4 -4.1 60.1 9.5 200 221 A Y E -CF 120 195C 76 -80,-2.5 -80,-1.8 -2,-0.4 2,-0.4 -0.911 60.0-164.3-113.6 122.3 -1.0 62.0 10.6 201 222 A H E -CF 119 194C 8 -7,-2.6 -7,-2.0 -2,-0.5 2,-0.5 -0.823 18.6-156.7-108.6 146.5 1.1 60.7 13.6 202 223 A V E -C 118 0C 0 -84,-2.1 -84,-1.9 -2,-0.4 2,-0.4 -0.985 24.4-159.6-109.0 128.9 3.8 62.1 15.9 203 224 A I E -C 117 0C 0 -2,-0.5 -13,-2.2 -86,-0.2 2,-0.5 -0.852 13.8-166.0-112.7 131.8 5.9 59.3 17.4 204 225 A L E -CE 116 189C 6 -88,-3.0 -88,-3.1 -2,-0.4 2,-0.6 -0.985 15.4-149.5-111.3 120.0 8.0 59.3 20.5 205 226 A K E +CE 115 188C 0 -17,-2.6 -18,-2.8 -2,-0.5 -17,-0.6 -0.787 18.1 177.1 -91.6 123.0 10.4 56.3 20.8 206 227 A E E - 0 0 95 -92,-3.0 2,-0.3 -2,-0.6 -91,-0.2 0.872 63.1 -14.8 -89.0 -43.4 11.2 55.3 24.4 207 228 A N E -C 114 0C 70 -93,-1.6 -93,-2.5 -21,-0.1 2,-0.3 -0.941 54.7-150.3-154.7 167.4 13.4 52.2 23.8 208 229 A S E -C 113 0C 49 -2,-0.3 2,-0.4 -95,-0.2 -95,-0.2 -0.982 4.0-155.0-141.6 157.8 14.5 49.7 21.2 209 230 A Q E -C 112 0C 84 -97,-3.1 -97,-2.1 -2,-0.3 2,-0.2 -0.996 21.6-136.7-132.1 125.9 15.6 46.1 21.2 210 231 A A - 0 0 85 -2,-0.4 -101,-0.1 -99,-0.2 -2,-0.0 -0.512 40.0 -81.6 -75.0 147.9 17.8 44.9 18.3 211 232 A K - 0 0 138 -2,-0.2 2,-0.4 -100,-0.1 -1,-0.1 -0.247 55.0-149.7 -35.5 125.7 17.2 41.5 16.6 212 233 A G E -B 109 0B 27 -103,-2.8 -103,-3.0 -3,-0.1 2,-0.6 -0.899 7.2-128.9-115.4 141.7 18.9 38.9 18.9 213 234 A Q E -B 108 0B 81 -2,-0.4 2,-0.3 -105,-0.2 -105,-0.2 -0.809 18.7-137.5 -85.8 122.5 20.4 35.6 17.9 214 235 A I - 0 0 31 -107,-2.6 2,-0.2 -2,-0.6 -107,-0.1 -0.631 25.7-127.7 -74.7 131.8 19.2 32.5 19.9 215 236 A K >> - 0 0 150 -2,-0.3 3,-1.5 1,-0.1 4,-1.1 -0.576 13.3-116.4 -84.3 153.9 22.2 30.3 20.8 216 237 A F H >> S+ 0 0 50 1,-0.3 4,-1.6 -2,-0.2 3,-0.8 0.877 113.8 57.1 -53.5 -46.9 22.5 26.6 20.1 217 238 A D H 34 S+ 0 0 116 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.773 103.4 55.0 -59.2 -25.7 22.6 25.7 23.8 218 239 A E H <4 S+ 0 0 115 -3,-1.5 -1,-0.3 1,-0.2 4,-0.2 0.850 122.9 23.3 -74.3 -34.7 19.2 27.5 24.3 219 240 A V H S+ 0 0 117 -4,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.958 112.5 50.0 -67.4 -47.3 17.1 20.0 23.5 222 243 A G H > S+ 0 0 47 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.835 110.6 50.0 -52.3 -40.7 14.0 21.3 21.7 223 244 A I H X S+ 0 0 9 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.934 112.2 48.3 -67.4 -46.3 15.7 20.6 18.3 224 245 A E H X S+ 0 0 62 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.929 109.8 50.6 -59.4 -48.2 16.5 17.0 19.4 225 246 A N H X S+ 0 0 99 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.916 113.2 47.1 -54.8 -46.9 13.0 16.3 20.7 226 247 A G H X S+ 0 0 33 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.846 112.7 47.6 -68.0 -39.6 11.6 17.5 17.4 227 248 A L H X S+ 0 0 41 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.858 111.5 51.7 -66.6 -38.2 14.0 15.5 15.3 228 249 A K H X S+ 0 0 86 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.884 110.8 48.4 -63.2 -37.6 13.4 12.3 17.5 229 250 A F H X S+ 0 0 116 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.933 111.9 47.5 -72.7 -44.5 9.7 12.7 17.0 230 251 A E H X S+ 0 0 123 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.866 114.1 48.2 -60.6 -43.4 9.9 13.1 13.3 231 252 A E H X S+ 0 0 74 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.936 109.4 53.5 -63.2 -44.0 12.2 10.2 13.1 232 253 A F H X S+ 0 0 41 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.923 109.4 48.1 -55.9 -44.8 9.9 8.1 15.2 233 254 A K H X S+ 0 0 51 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.836 111.2 50.5 -65.2 -38.5 7.0 8.9 12.9 234 255 A K H X S+ 0 0 144 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.915 113.0 45.1 -64.4 -47.5 9.0 8.0 9.9 235 256 A V H X S+ 0 0 43 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.907 114.8 48.8 -65.1 -34.4 10.1 4.6 11.3 236 257 A I H X S+ 0 0 32 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.897 113.7 44.9 -74.7 -44.4 6.5 3.8 12.5 237 258 A N H X S+ 0 0 114 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.908 111.9 52.5 -68.4 -34.4 4.9 4.6 9.2 238 259 A Q H >X S+ 0 0 109 -4,-2.4 4,-2.2 1,-0.2 3,-1.6 0.991 110.3 48.7 -60.2 -53.1 7.6 2.7 7.4 239 260 A K H 3X S+ 0 0 50 -4,-2.6 4,-1.6 1,-0.3 -1,-0.2 0.864 107.6 54.7 -49.5 -45.1 6.9 -0.3 9.6 240 261 A G H 3X S+ 0 0 38 -4,-2.1 4,-1.4 1,-0.3 -1,-0.3 0.795 109.9 48.6 -66.1 -27.5 3.2 0.2 8.9 241 262 A Q H