==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 17-DEC-92 110L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.BLABER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 . 12 7.4 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 . 2 1.2 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1 1 0 1 2 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 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 . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 75 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 149.6 43.5 -1.8 9.1 2 2 A N > - 0 0 68 156,-0.0 4,-2.5 95,-0.0 5,-0.2 -0.921 360.0 -81.5-151.8 176.0 40.3 -0.8 10.8 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.810 125.7 51.0 -54.5 -40.6 38.1 2.3 11.3 4 4 A F H > S+ 0 0 78 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.944 113.0 43.1 -65.6 -49.6 40.2 3.6 14.1 5 5 A E H > S+ 0 0 96 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.892 114.4 53.5 -64.6 -35.3 43.5 3.3 12.2 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 3,-0.4 0.964 112.3 41.5 -62.1 -56.7 41.9 4.8 9.1 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.835 109.6 59.2 -63.4 -29.9 40.5 7.9 10.9 8 8 A R H X S+ 0 0 103 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.881 108.6 46.0 -68.2 -30.3 43.8 8.3 12.8 9 9 A I H < S+ 0 0 85 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.927 116.1 45.6 -73.5 -42.1 45.6 8.6 9.4 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.890 125.7 28.0 -68.4 -39.9 43.0 11.0 8.1 11 11 A E H < S- 0 0 45 -4,-2.8 19,-0.4 1,-0.2 -1,-0.2 0.687 90.2-153.0 -98.5 -25.5 42.8 13.3 11.1 12 12 A G < - 0 0 23 -4,-1.6 2,-0.4 -5,-0.3 -1,-0.2 -0.202 26.3 -86.2 76.6-172.0 46.2 13.1 12.7 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.971 42.2 171.9-141.4 127.9 46.7 13.7 16.4 14 14 A R E -A 28 0A 143 14,-1.3 14,-2.5 -2,-0.4 4,-0.1 -0.998 17.7-165.1-138.2 130.5 47.2 17.0 18.2 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.0 12,-0.2 2,-0.3 0.334 74.0 63.5 -99.4 5.9 47.2 17.5 21.9 16 16 A K E S-C 57 0B 101 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.938 102.2 -85.3-127.8 146.0 46.9 21.3 21.9 17 17 A I E + 0 0 19 39,-1.4 2,-0.3 -2,-0.3 10,-0.2 -0.256 59.2 170.2 -51.2 136.9 43.8 23.2 20.5 18 18 A Y E -A 26 0A 25 8,-2.8 8,-2.8 -4,-0.1 2,-0.4 -0.893 35.4-105.3-141.2 171.3 44.2 23.7 16.7 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.876 32.8-136.3-102.7 137.5 42.2 24.9 13.8 20 20 A D > - 0 0 49 4,-2.8 3,-1.6 -2,-0.4 -1,-0.1 -0.033 41.9 -81.1 -77.0-173.1 40.8 22.4 11.3 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.692 134.1 50.7 -62.4 -21.7 40.8 22.8 7.5 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.425 123.7-103.2 -95.6 -2.1 37.7 25.0 7.9 23 23 A G S < S+ 0 0 37 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.527 75.0 141.4 92.8 9.6 39.2 27.2 10.5 24 24 A Y - 0 0 77 1,-0.1 -4,-2.8 -5,-0.0 -1,-0.3 -0.701 59.5-103.1 -93.4 143.8 37.4 25.6 13.5 25 25 A Y E +AB 19 34A 30 9,-0.6 8,-2.9 11,-0.4 9,-1.3 -0.388 54.1 159.5 -61.5 126.2 38.8 24.9 16.9 26 26 A T E -AB 18 32A 2 -8,-2.8 -8,-2.8 6,-0.3 2,-0.3 -0.848 19.4-168.3-141.7 164.6 39.6 21.2 17.2 27 27 A I E > + B 0 31A 0 4,-1.4 4,-1.9 -2,-0.3 -12,-0.2 -0.974 52.0 1.1-153.4 162.8 41.7 19.0 19.4 28 28 A G E 4 S-A 14 0A 1 -14,-2.5 -14,-1.3 -2,-0.3 2,-0.9 -0.352 122.3 -5.7 66.8-128.6 43.0 15.4 19.5 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.683 127.4 -51.3-101.9 73.7 41.9 13.2 16.6 30 30 A G T 4 S+ 0 0 17 -2,-0.9 2,-1.0 -19,-0.4 -2,-0.2 0.726 83.4 159.2 72.1 18.9 39.5 15.3 14.7 31 31 A H E < -B 27 0A 32 -4,-1.9 -4,-1.4 32,-0.0 -1,-0.2 -0.685 34.2-143.1 -83.0 100.0 37.4 16.3 17.7 32 32 A L E -B 26 0A 71 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.370 18.6-176.0 -62.5 124.8 35.5 19.5 16.7 33 33 A L E - 0 0 13 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.893 58.1 -28.4 -89.6 -50.9 35.2 21.8 19.7 34 34 A T E -B 25 0A 29 -9,-1.3 -9,-0.6 2,-0.1 -1,-0.4 -0.972 35.6-135.8-162.9 156.8 33.2 24.7 18.4 35 35 A K S S+ 0 0 138 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.553 75.6 109.8 -93.7 -8.0 32.4 26.6 15.3 36 36 A S S S- 0 0 43 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.387 73.0-132.1 -69.3 145.9 32.7 29.8 17.2 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.579 76.3 105.8 -72.5 -9.2 35.7 32.1 16.5 38 38 A S > - 0 0 48 1,-0.2 4,-1.7 2,-0.1 3,-0.2 -0.609 56.0-161.5 -83.7 120.9 36.4 32.5 20.2 39 39 A L H > S+ 0 0 70 -2,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.758 96.6 54.5 -64.1 -22.2 39.3 30.6 21.5 40 40 A N H > S+ 0 0 108 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.877 102.4 52.4 -81.2 -35.2 37.8 31.0 24.9 41 41 A A H > S+ 0 0 29 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.854 111.5 51.7 -61.6 -33.3 34.6 29.5 23.9 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.913 106.8 50.0 -70.4 -46.8 36.8 26.6 22.6 43 43 A K H X S+ 0 0 43 -4,-2.1 4,-2.2 1,-0.2 11,-0.3 0.896 111.6 50.1 -59.7 -38.2 38.8 26.2 25.9 44 44 A L H X S+ 0 0 107 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.916 110.0 48.7 -65.9 -45.0 35.4 26.1 27.8 45 45 A E H X S+ 0 0 67 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.881 112.0 52.5 -59.3 -40.1 34.0 23.4 25.4 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.899 108.7 46.7 -62.5 -46.1 37.2 21.5 26.0 47 47 A D H X>S+ 0 0 28 -4,-2.2 4,-2.5 1,-0.2 5,-1.0 0.901 112.9 50.8 -65.6 -38.8 37.1 21.6 29.8 48 48 A K H <5S+ 0 0 144 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.848 110.8 48.7 -65.4 -36.4 33.5 20.5 29.6 49 49 A A H <5S+ 0 0 45 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.912 120.6 35.5 -70.6 -38.5 34.4 17.6 27.3 50 50 A I H <5S- 0 0 35 -4,-2.2 -2,-0.2 2,-0.2 -3,-0.2 0.678 101.7-125.8 -89.4 -27.2 37.3 16.4 29.5 51 51 A G T <5S+ 0 0 70 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.787 77.6 74.3 84.8 24.7 35.9 17.1 32.9 52 52 A R S - 0 0 9 -2,-1.0 3,-1.5 -11,-0.3 -1,-0.2 0.666 32.2-145.3 -97.7 -20.2 42.7 21.9 30.9 55 55 A N T 3 S- 0 0 111 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.896 74.5 -54.3 57.5 37.1 44.0 25.2 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.4 1,-0.1 2,-0.4 0.511 116.8 96.1 80.5 1.2 43.9 24.0 26.1 57 57 A V B < +C 16 0B 66 -3,-1.5 2,-0.2 -41,-0.2 -41,-0.2 -0.987 43.7 177.3-132.8 140.2 46.0 20.9 26.5 58 58 A I - 0 0 4 -43,-2.0 2,-0.2 -2,-0.4 -30,-0.1 -0.772 27.2-110.1-128.2 170.2 45.1 17.3 26.9 59 59 A T > - 0 0 67 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.498 33.4-104.2 -96.5 172.5 47.0 14.0 27.1 60 60 A K H > S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.900 122.4 52.9 -61.2 -42.6 47.1 11.1 24.6 61 61 A D H > S+ 0 0 123 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.869 109.1 49.6 -58.8 -43.2 44.8 9.1 26.8 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.892 111.5 49.0 -64.1 -42.3 42.2 12.0 26.9 63 63 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -34,-0.4 0.878 111.6 49.2 -62.5 -43.9 42.4 12.3 23.1 64 64 A E H X S+ 0 0 76 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.820 108.4 53.8 -69.3 -29.5 41.9 8.6 22.6 65 65 A K H X S+ 0 0 134 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.936 109.7 46.3 -71.1 -42.3 39.0 8.7 24.9 66 66 A L H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.902 111.5 54.4 -63.2 -36.6 37.3 11.4 22.9 67 67 A F H X S+ 0 0 12 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.946 105.9 49.9 -62.9 -48.4 38.1 9.5 19.8 68 68 A N H X S+ 0 0 90 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.909 112.5 49.6 -56.7 -42.1 36.4 6.3 21.1 69 69 A Q H X S+ 0 0 95 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.904 110.9 48.2 -64.2 -41.9 33.4 8.4 21.9 70 70 A D H X S+ 0 0 33 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.851 111.1 49.4 -70.3 -35.0 33.2 10.1 18.5 71 71 A V H X S+ 0 0 5 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.962 113.4 46.8 -66.6 -47.9 33.6 6.8 16.6 72 72 A D H X S+ 0 0 89 -4,-2.1 4,-2.4 -5,-0.3 5,-0.2 0.917 112.3 50.9 -59.3 -42.3 30.8 5.2 18.6 73 73 A A H X S+ 0 0 42 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.932 108.8 51.2 -63.4 -42.0 28.7 8.2 18.2 74 74 A A H X S+ 0 0 9 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.959 111.9 46.0 -59.6 -52.6 29.2 8.2 14.4 75 75 A V H X S+ 0 0 33 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.956 114.3 48.1 -55.2 -50.3 28.2 4.5 14.1 76 76 A R H X S+ 0 0 114 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.905 110.3 52.8 -59.5 -38.1 25.1 5.0 16.4 77 77 A G H X S+ 0 0 2 -4,-2.6 4,-0.6 -5,-0.2 -1,-0.2 0.873 108.6 49.5 -65.7 -38.6 24.1 8.1 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 7,-0.5 0.952 111.6 49.3 -63.6 -46.6 24.3 6.0 11.1 79 79 A L H 3< S+ 0 0 70 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.680 112.3 47.3 -69.3 -19.3 22.1 3.3 12.6 80 80 A R H 3< S+ 0 0 171 -4,-1.3 2,-0.6 -5,-0.2 -1,-0.3 0.483 92.9 94.8 -93.8 -15.7 19.5 5.7 13.9 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.2 3,-0.5 0.840 102.1 68.9 -88.6 -41.9 22.0 6.0 6.2 85 85 A K H X S+ 0 0 80 -4,-2.6 4,-2.5 -7,-0.5 5,-0.2 0.911 99.3 48.2 -49.6 -47.8 21.1 2.8 8.0 86 86 A P H > S+ 0 0 51 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.879 112.1 50.0 -65.8 -33.4 19.9 1.0 4.9 87 87 A V H > S+ 0 0 2 -3,-0.5 4,-0.9 -4,-0.4 3,-0.4 0.969 111.8 48.2 -63.4 -51.1 23.0 2.0 3.0 88 88 A Y H >< S+ 0 0 33 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.897 109.3 52.6 -51.7 -48.4 25.3 0.8 5.8 89 89 A D H 3< S+ 0 0 79 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.827 107.3 55.7 -60.7 -32.1 23.4 -2.6 6.1 90 90 A S H 3< S+ 0 0 33 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.699 95.3 83.3 -74.8 -21.6 23.9 -3.1 2.4 91 91 A L S << S- 0 0 5 -3,-1.2 31,-0.0 -4,-0.9 2,-0.0 -0.496 76.0-116.2 -90.1 162.1 27.7 -2.7 2.4 92 92 A D > - 0 0 58 -2,-0.1 4,-1.7 1,-0.1 5,-0.1 -0.191 47.2 -89.3 -77.9 176.6 30.6 -5.0 3.1 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.5 2,-0.2 -2,-0.1 0.854 122.9 49.3 -61.4 -38.7 32.9 -4.3 6.2 94 94 A V H > S+ 0 0 25 1,-0.2 4,-1.3 2,-0.2 3,-0.2 0.944 112.1 45.9 -66.4 -49.7 35.5 -2.2 4.3 95 95 A R H > S+ 0 0 23 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.813 105.5 61.9 -65.4 -30.1 32.9 0.1 2.7 96 96 A R H X S+ 0 0 80 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.921 102.2 52.3 -61.1 -40.7 31.1 0.4 6.0 97 97 A A H X S+ 0 0 7 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.857 105.1 54.8 -62.9 -36.8 34.3 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.870 108.8 48.3 -67.3 -33.1 34.4 4.5 4.5 99 99 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.903 109.4 51.6 -73.2 -36.5 30.8 5.6 5.3 100 100 A I H X S+ 0 0 9 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.947 107.5 55.1 -63.2 -41.8 31.7 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.936 108.4 46.6 -54.4 -52.2 34.7 8.1 7.9 102 102 A M H X S+ 0 0 2 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.877 113.1 49.3 -58.2 -41.6 32.5 10.5 6.0 103 103 A V H X S+ 0 0 9 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.900 108.5 54.1 -67.5 -37.2 30.0 10.7 8.9 104 104 A F H < S+ 0 0 30 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.921 115.9 38.9 -62.4 -38.3 32.8 11.4 11.3 105 105 A Q H < S+ 0 0 59 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.926 132.4 18.9 -78.5 -49.6 34.1 14.3 9.1 106 106 A M H X S- 0 0 52 -4,-2.9 4,-0.7 -5,-0.2 -3,-0.2 0.485 101.8-117.7-110.7 4.2 30.9 15.9 8.0 107 107 A G H X - 0 0 31 -4,-2.0 4,-2.2 -5,-0.3 5,-0.2 0.197 35.7 -76.4 79.0 155.8 28.2 14.8 10.3 108 108 A E H > S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.831 128.1 53.8 -58.0 -39.9 25.0 12.7 9.6 109 109 A T H > S+ 0 0 122 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.950 109.0 46.6 -64.8 -47.8 23.2 15.6 8.1 110 110 A G H >< S+ 0 0 35 -4,-0.7 3,-1.2 2,-0.2 -2,-0.2 0.959 115.6 45.8 -55.7 -54.5 25.9 16.5 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.2 3,-3.6 1,-0.3 -2,-0.2 0.932 105.1 58.4 -55.3 -51.6 26.3 12.8 4.5 112 112 A A H 3< S+ 0 0 11 -4,-2.7 3,-0.4 1,-0.3 -1,-0.3 0.741 96.6 68.2 -52.8 -21.4 22.6 12.2 4.2 113 113 A G T << S+ 0 0 60 -3,-1.2 -1,-0.3 -4,-0.9 3,-0.3 0.435 78.7 78.2 -74.8 -2.6 22.9 15.1 1.7 114 114 A F X> + 0 0 33 -3,-3.6 4,-2.5 1,-0.2 3,-0.8 -0.095 61.2 149.9 -98.2 41.2 24.8 12.8 -0.6 115 115 A T H 3> + 0 0 75 -3,-0.4 4,-1.4 1,-0.3 -1,-0.2 0.775 64.2 45.9 -41.9 -53.6 21.5 11.2 -1.6 116 116 A N H 3> S+ 0 0 97 -3,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.847 113.1 48.4 -63.8 -40.7 22.4 10.3 -5.1 117 117 A S H <> S+ 0 0 0 -3,-0.8 4,-2.6 2,-0.2 -2,-0.2 0.909 109.3 55.2 -66.3 -40.0 25.8 8.7 -4.3 118 118 A L H X S+ 0 0 11 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.854 106.5 50.4 -60.7 -36.3 24.2 6.8 -1.5 119 119 A R H X S+ 0 0 114 -4,-1.4 4,-1.7 -5,-0.3 -1,-0.2 0.920 110.7 49.5 -71.7 -36.9 21.7 5.3 -3.9 120 120 A M H <>S+ 0 0 26 -4,-1.9 5,-2.3 2,-0.2 -2,-0.2 0.874 111.0 48.8 -68.5 -38.4 24.5 4.3 -6.2 121 121 A L H ><5S+ 0 0 1 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.941 108.4 54.0 -67.3 -43.1 26.4 2.7 -3.4 122 122 A Q H 3<5S+ 0 0 94 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.901 109.8 48.3 -56.3 -36.0 23.4 0.8 -2.2 123 123 A Q T 3<5S- 0 0 84 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.397 114.1-120.7 -83.6 2.7 23.1 -0.5 -5.8 124 124 A K T < 5 + 0 0 99 -3,-2.1 2,-1.2 1,-0.2 -3,-0.2 0.751 61.6 147.7 61.2 36.1 26.7 -1.5 -5.8 125 125 A R >< + 0 0 115 -5,-2.3 4,-2.7 1,-0.2 5,-0.2 -0.699 19.8 173.4 -99.4 77.6 27.6 0.7 -8.8 126 126 A W H > + 0 0 50 -2,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.889 68.7 45.6 -56.5 -53.5 31.1 1.4 -7.6 127 127 A D H > S+ 0 0 110 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.922 116.2 47.2 -61.6 -43.4 32.6 3.3 -10.5 128 128 A E H > S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.884 110.5 50.1 -65.3 -44.9 29.5 5.5 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.891 107.6 56.2 -61.3 -38.0 29.2 6.3 -7.2 130 130 A A H X S+ 0 0 12 -4,-2.1 4,-1.3 -5,-0.2 -2,-0.2 0.920 109.0 46.6 -60.6 -40.0 33.0 7.3 -7.2 131 131 A V H X S+ 0 0 88 -4,-1.9 4,-0.6 1,-0.2 3,-0.3 0.938 113.8 47.4 -69.9 -43.2 32.4 9.8 -9.9 132 132 A N H >< S+ 0 0 41 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.882 107.5 55.7 -64.8 -40.3 29.3 11.3 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.0 6,-0.4 1,-0.2 -1,-0.2 0.872 102.0 58.8 -60.9 -33.6 31.0 11.5 -4.8 134 134 A A H 3< S+ 0 0 27 -4,-1.3 2,-1.9 -3,-0.3 -1,-0.2 0.673 85.5 79.4 -70.7 -19.6 33.8 13.6 -6.5 135 135 A K S << S+ 0 0 163 -3,-0.9 2,-0.3 -4,-0.6 -1,-0.2 -0.542 81.6 100.7 -87.9 70.9 31.3 16.3 -7.7 136 136 A S S > S- 0 0 16 -2,-1.9 4,-2.1 1,-0.1 5,-0.2 -0.997 84.5-120.5-153.2 153.9 31.2 17.9 -4.3 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-3.4 1,-0.2 5,-0.3 0.918 115.3 62.0 -58.1 -41.5 32.5 20.7 -2.2 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.924 106.4 43.2 -48.8 -53.4 33.9 17.9 0.1 139 139 A Y H 4 S+ 0 0 57 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.885 116.0 47.4 -63.3 -41.0 36.1 16.6 -2.7 140 140 A N H < S+ 0 0 106 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.871 115.8 43.2 -72.7 -32.4 37.2 20.0 -3.8 141 141 A Q H < S+ 0 0 106 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.878 131.2 20.5 -80.0 -43.0 38.1 21.3 -0.4 142 142 A T S X S+ 0 0 20 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 -0.539 74.6 162.0-125.9 68.5 39.9 18.1 1.0 143 143 A P H > + 0 0 46 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.822 69.3 51.4 -57.8 -43.0 40.9 16.3 -2.2 144 144 A N H > S+ 0 0 118 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.922 116.4 40.6 -66.3 -41.4 43.6 13.9 -0.8 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.928 115.4 51.6 -70.4 -44.8 41.4 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.928 108.0 52.5 -58.2 -44.8 38.3 12.5 -0.3 147 147 A K H X S+ 0 0 90 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.876 108.6 50.8 -59.9 -37.8 40.2 10.4 -2.9 148 148 A R H X S+ 0 0 67 -4,-1.3 4,-1.3 2,-0.2 12,-0.2 0.909 114.4 42.6 -65.7 -43.4 41.3 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.914 115.2 50.0 -67.3 -44.1 37.7 7.5 1.0 150 150 A I H X S+ 0 0 14 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.900 109.2 51.8 -60.3 -43.3 36.3 7.4 -2.6 151 151 A T H X S+ 0 0 37 -4,-2.5 4,-2.5 -5,-0.3 6,-0.3 0.851 107.1 54.3 -63.2 -31.9 39.0 4.7 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.911 110.8 44.9 -67.3 -42.3 37.8 2.7 -0.5 153 153 A F H < S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.905 115.3 48.7 -65.5 -41.0 34.2 2.8 -1.8 154 154 A R H < S+ 0 0 101 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.922 125.4 23.8 -69.9 -42.5 35.3 2.0 -5.3 155 155 A T H < S- 0 0 45 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.700 84.8-135.7-101.1 -23.4 37.5 -0.9 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.4 2,-0.3 -5,-0.3 -62,-0.2 0.730 72.6 100.4 72.0 21.3 36.4 -2.4 -1.2 157 157 A T S S- 0 0 47 -6,-0.3 3,-0.4 -5,-0.2 -1,-0.3 -0.823 80.8-119.0-129.6 172.3 40.0 -2.7 -0.1 158 158 A W S > S+ 0 0 45 -2,-0.3 3,-2.1 1,-0.2 4,-0.5 0.125 71.7 123.0 -94.9 19.0 42.3 -0.7 2.2 159 159 A D G > + 0 0 96 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.828 66.2 57.5 -51.8 -36.0 44.7 -0.0 -0.7 160 160 A A G 3 S+ 0 0 34 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.636 109.4 46.2 -72.1 -12.3 44.6 3.8 -0.4 161 161 A Y G < 0 0 19 -3,-2.1 -1,-0.3 -13,-0.1 -2,-0.2 0.344 360.0 360.0-109.7 3.7 45.7 3.6 3.2 162 162 A K < 0 0 174 -3,-1.1 -2,-0.2 -4,-0.5 -3,-0.1 0.822 360.0 360.0-103.6 360.0 48.5 1.2 2.6