==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-DEC-99 1C6M . COMPND 2 MOLECULE: PROTEIN (LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.L.QUILLIN,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8763.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.5 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 53.1 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 64 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 155.8 43.3 -1.8 9.2 2 2 A N > - 0 0 66 156,-0.0 4,-3.3 95,-0.0 5,-0.2 -0.914 360.0 -78.4-159.2 175.8 40.0 -0.6 10.7 3 3 A I H > S+ 0 0 24 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.830 126.0 51.0 -52.8 -41.1 38.1 2.5 11.2 4 4 A F H > S+ 0 0 75 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.953 114.4 42.1 -66.9 -50.9 40.1 3.6 14.1 5 5 A E H > S+ 0 0 104 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.859 114.7 53.8 -63.4 -37.1 43.4 3.2 12.3 6 6 A M H X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 3,-0.4 0.962 111.8 41.1 -63.4 -51.0 41.9 4.7 9.3 7 7 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.5 0.861 107.7 61.6 -68.5 -27.2 40.7 7.9 10.9 8 8 A R H X S+ 0 0 95 -4,-1.8 4,-1.4 -5,-0.3 -1,-0.2 0.887 106.9 47.6 -63.6 -32.8 43.8 8.2 12.9 9 9 A I H < S+ 0 0 87 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.916 115.3 43.3 -70.8 -44.9 45.6 8.5 9.7 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.811 125.2 30.7 -74.3 -33.5 43.3 11.0 8.2 11 11 A E H < S- 0 0 42 -4,-3.0 19,-0.3 -5,-0.2 -1,-0.2 0.666 92.6-154.6 -99.2 -24.9 42.9 13.2 11.2 12 12 A G < - 0 0 22 -4,-1.4 2,-0.4 -5,-0.5 -1,-0.2 -0.236 26.3 -79.7 79.3-171.2 46.2 12.8 12.9 13 13 A L + 0 0 44 16,-0.1 2,-0.5 -4,-0.1 16,-0.2 -0.970 44.4 174.3-134.2 113.6 46.8 13.4 16.7 14 14 A R E -A 28 0A 137 14,-2.4 14,-2.2 -2,-0.4 4,-0.1 -0.989 16.0-168.0-128.6 127.0 47.2 16.9 18.3 15 15 A L E S+ 0 0 63 -2,-0.5 43,-2.4 12,-0.2 2,-0.3 0.453 72.4 58.9 -87.8 -5.9 47.5 17.4 22.0 16 16 A K E S-C 57 0B 114 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.885 102.7 -83.4-120.9 151.9 47.0 21.2 22.0 17 17 A I E + 0 0 11 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.331 59.3 170.2 -56.9 137.3 44.0 23.1 20.6 18 18 A Y E -A 26 0A 23 8,-2.9 8,-3.7 -4,-0.1 2,-0.5 -0.879 34.7-107.3-139.1 173.0 44.3 23.6 16.9 19 19 A K E -A 25 0A 122 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.878 32.6-139.5-106.4 134.4 42.3 24.8 13.9 20 20 A D > - 0 0 50 4,-2.9 3,-1.6 -2,-0.5 -1,-0.1 0.051 41.2 -75.5 -79.2-166.3 41.1 22.3 11.5 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.761 135.5 46.6 -66.4 -26.7 41.0 22.7 7.6 22 22 A E T 3 S- 0 0 75 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.315 125.2-103.1 -95.5 4.1 38.0 25.0 7.8 23 23 A G S < S+ 0 0 35 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.585 73.9 141.2 88.1 15.9 39.6 27.1 10.6 24 24 A Y - 0 0 78 1,-0.1 -4,-2.9 9,-0.0 -1,-0.3 -0.737 59.5-100.3 -96.6 151.2 37.6 25.6 13.6 25 25 A Y E +AB 19 34A 41 9,-0.8 8,-3.2 11,-0.4 9,-1.9 -0.423 54.3 160.1 -69.5 129.8 39.0 24.9 16.9 26 26 A T E -AB 18 32A 3 -8,-3.7 -8,-2.9 6,-0.3 2,-0.3 -0.897 19.1-163.7-142.6 163.2 39.7 21.2 17.3 27 27 A I E > - B 0 31A 0 4,-1.9 4,-2.1 -2,-0.3 2,-0.3 -0.989 51.0 -1.6-148.4 163.0 41.7 19.0 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.2 -14,-2.4 -2,-0.3 2,-0.9 -0.467 123.7 -3.8 67.7-126.5 43.1 15.4 19.7 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -2,-0.3 -17,-0.1 -0.682 129.2 -53.9-102.5 70.9 42.1 13.1 16.8 30 30 A G T 4 S+ 0 0 13 -2,-0.9 2,-1.3 -19,-0.3 -2,-0.2 0.784 83.0 161.0 68.5 25.7 39.8 15.5 14.9 31 31 A H E < -B 27 0A 29 -4,-2.1 -4,-1.9 1,-0.0 -1,-0.2 -0.658 33.3-143.6 -83.2 98.5 37.6 16.2 17.9 32 32 A L E -B 26 0A 70 -2,-1.3 -6,-0.3 -6,-0.2 3,-0.1 -0.336 20.7-178.2 -61.0 132.8 35.8 19.5 16.8 33 33 A L E - 0 0 14 -8,-3.2 2,-0.3 1,-0.4 -7,-0.2 0.865 57.1 -16.6-100.3 -43.2 35.4 21.7 19.8 34 34 A T E -B 25 0A 28 -9,-1.9 -9,-0.8 2,-0.1 -1,-0.4 -0.959 32.2-144.2-165.0 149.6 33.6 24.7 18.4 35 35 A K S S+ 0 0 142 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.505 75.3 109.1 -87.3 -10.2 32.6 26.6 15.3 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.412 73.9-133.2 -73.2 140.8 33.0 29.8 17.3 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.430 76.3 104.2 -70.7 -0.2 35.9 32.0 16.5 38 38 A S > - 0 0 45 1,-0.1 4,-2.0 -13,-0.0 5,-0.1 -0.795 56.1-160.6 -95.9 123.9 36.7 32.3 20.3 39 39 A L H > S+ 0 0 55 -2,-0.5 4,-2.7 1,-0.3 5,-0.2 0.883 95.7 55.6 -66.4 -34.9 39.5 30.5 21.8 40 40 A N H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.858 105.2 51.1 -65.8 -35.4 38.0 30.9 25.2 41 41 A A H > S+ 0 0 31 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.951 109.8 50.0 -63.7 -42.6 34.9 29.3 24.0 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.930 110.7 51.3 -59.7 -43.5 37.0 26.4 22.6 43 43 A K H X S+ 0 0 63 -4,-2.7 4,-2.0 2,-0.2 11,-0.2 0.866 109.0 48.8 -63.6 -39.8 38.7 26.2 26.0 44 44 A S H X S+ 0 0 72 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.961 111.5 49.5 -67.1 -48.4 35.4 26.1 27.8 45 45 A E H X S+ 0 0 70 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.921 110.7 52.4 -56.4 -40.8 34.0 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 5,-0.3 0.931 108.8 46.8 -62.0 -44.7 37.3 21.4 26.0 47 47 A D H X>S+ 0 0 36 -4,-2.0 4,-2.2 1,-0.2 5,-1.4 0.896 112.6 52.4 -62.3 -37.8 37.1 21.5 29.9 48 48 A K H <5S+ 0 0 142 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.909 111.4 46.6 -61.2 -49.6 33.4 20.5 29.6 49 49 A A H <5S+ 0 0 43 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.868 121.1 36.0 -64.3 -38.6 34.4 17.5 27.3 50 50 A I H <5S- 0 0 35 -4,-2.4 -1,-0.2 2,-0.3 -2,-0.2 0.696 101.6-125.5 -90.8 -26.7 37.3 16.3 29.5 51 51 A G T <5S+ 0 0 66 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.2 0.837 78.2 67.0 84.8 30.2 35.8 17.0 33.0 52 52 A R S - 0 0 7 -2,-1.0 3,-1.2 -11,-0.2 -1,-0.2 0.729 32.3-142.5 -87.6 -20.1 42.8 21.5 30.8 55 55 A N T 3 S- 0 0 123 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.814 71.8 -58.5 63.8 26.1 44.3 24.8 30.0 56 56 A G T 3 S+ 0 0 1 -13,-0.2 -39,-1.7 1,-0.2 2,-0.4 0.489 118.6 97.4 82.6 5.1 44.0 23.8 26.2 57 57 A V B < -C 16 0B 64 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.972 47.8-179.8-129.9 141.1 46.1 20.8 26.5 58 58 A I - 0 0 6 -43,-2.4 2,-0.1 -2,-0.4 -30,-0.1 -0.889 27.0-106.9-132.6 168.8 45.2 17.1 26.9 59 59 A T > - 0 0 65 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.457 32.2-110.7 -90.6 169.5 46.9 13.8 27.3 60 60 A K H > S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.890 119.5 51.0 -63.1 -39.7 47.1 11.1 24.7 61 61 A D H > S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.920 110.3 50.0 -63.1 -42.7 44.7 8.8 26.7 62 62 A E H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.947 110.4 50.4 -64.4 -41.1 42.2 11.7 27.0 63 63 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -34,-0.4 0.903 110.7 49.3 -60.9 -41.4 42.5 12.3 23.2 64 64 A E H X S+ 0 0 76 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.826 107.8 55.9 -69.5 -29.2 41.9 8.6 22.5 65 65 A K H X S+ 0 0 140 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.943 108.1 44.1 -69.7 -44.4 38.9 8.6 24.8 66 66 A L H X S+ 0 0 7 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.909 112.1 56.4 -62.9 -39.8 37.2 11.4 23.0 67 67 A F H X S+ 0 0 12 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.940 106.7 49.6 -60.4 -43.6 38.1 9.6 19.7 68 68 A N H X S+ 0 0 87 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.946 110.9 47.8 -58.0 -46.1 36.4 6.6 20.9 69 69 A Q H X S+ 0 0 102 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.880 112.5 51.3 -63.5 -38.3 33.3 8.4 21.8 70 70 A D H X S+ 0 0 36 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.866 108.6 48.7 -65.8 -38.4 33.3 10.1 18.6 71 71 A V H X S+ 0 0 5 -4,-2.9 4,-2.1 2,-0.2 5,-0.2 0.943 113.4 49.6 -65.4 -43.5 33.6 7.0 16.6 72 72 A D H X S+ 0 0 95 -4,-2.5 4,-2.8 -5,-0.3 5,-0.3 0.931 109.2 48.7 -56.0 -52.8 30.8 5.5 18.5 73 73 A A H X S+ 0 0 59 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.869 107.8 58.2 -59.6 -39.3 28.5 8.4 18.1 74 74 A A H X S+ 0 0 8 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.948 108.9 43.2 -59.4 -46.8 29.3 8.4 14.4 75 75 A V H X S+ 0 0 32 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.942 114.3 49.2 -63.1 -46.9 28.1 4.8 13.9 76 76 A R H X S+ 0 0 124 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.887 107.8 55.8 -62.3 -37.6 25.1 5.2 16.1 77 77 A G H X S+ 0 0 8 -4,-2.3 4,-0.7 -5,-0.3 -1,-0.2 0.942 108.1 48.4 -59.6 -46.6 24.3 8.3 14.1 78 78 A I H >< S+ 0 0 3 -4,-2.1 3,-1.3 1,-0.2 7,-0.3 0.958 110.5 51.1 -56.5 -49.4 24.3 6.3 10.9 79 79 A L H 3< S+ 0 0 61 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.792 109.8 49.5 -65.2 -26.0 22.1 3.6 12.4 80 80 A R H 3< S+ 0 0 166 -4,-1.8 2,-0.7 -5,-0.2 -1,-0.3 0.484 91.7 93.1 -87.7 -8.7 19.5 6.1 13.5 81 81 A N S+ 0 0 9 -6,-0.1 4,-2.6 -7,-0.1 5,-0.2 0.850 101.2 67.2 -87.9 -38.9 21.8 6.3 5.9 85 85 A K H X S+ 0 0 94 -4,-3.4 4,-2.8 -7,-0.3 5,-0.2 0.895 97.6 51.4 -57.0 -42.1 21.1 3.1 7.6 86 86 A P H > S+ 0 0 55 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.895 112.9 46.8 -64.6 -34.3 19.8 1.1 4.7 87 87 A V H > S+ 0 0 7 -4,-0.5 4,-0.7 -3,-0.2 3,-0.3 0.945 112.7 48.7 -69.6 -47.8 22.8 2.0 2.7 88 88 A Y H >< S+ 0 0 33 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.894 109.4 52.2 -57.4 -45.9 25.2 1.2 5.4 89 89 A D H 3< S+ 0 0 74 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.823 104.5 57.0 -63.6 -27.6 23.6 -2.1 6.1 90 90 A S H 3< S+ 0 0 40 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.651 95.3 92.2 -77.6 -12.4 23.9 -3.1 2.4 91 91 A L S << S- 0 0 10 -3,-1.0 2,-0.0 -4,-0.7 31,-0.0 -0.470 75.9-118.8 -82.7 153.2 27.7 -2.6 2.5 92 92 A D > - 0 0 56 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.269 42.9 -95.0 -77.7 173.3 30.5 -4.9 3.2 93 93 A A H > S+ 0 0 76 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.833 120.5 48.9 -61.6 -40.8 32.8 -4.1 6.1 94 94 A V H >> S+ 0 0 29 2,-0.2 4,-1.3 62,-0.2 3,-0.5 0.956 113.1 47.2 -66.0 -50.3 35.5 -2.2 4.3 95 95 A R H >> S+ 0 0 30 1,-0.2 4,-1.8 2,-0.2 3,-0.6 0.910 105.5 58.9 -59.6 -41.2 33.1 0.1 2.5 96 96 A R H 3X S+ 0 0 72 -4,-2.5 4,-2.7 1,-0.3 -1,-0.2 0.885 99.5 59.1 -55.0 -36.2 31.2 0.7 5.7 97 97 A A H S+ 0 0 63 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.843 127.5 52.6 -53.5 -42.3 25.2 12.8 9.4 109 109 A T H > S+ 0 0 122 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.904 107.6 49.9 -63.6 -47.6 23.4 15.5 7.9 110 110 A G H >< S+ 0 0 31 -4,-0.7 3,-1.4 -3,-0.2 -2,-0.2 0.968 115.1 42.6 -57.6 -57.7 26.0 16.4 5.3 111 111 A V H >< S+ 0 0 7 -4,-2.3 3,-2.6 1,-0.3 -1,-0.2 0.897 105.7 62.1 -57.5 -42.5 26.4 12.8 4.2 112 112 A A H 3< S+ 0 0 13 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.737 95.4 65.2 -59.7 -17.4 22.7 12.2 4.2 113 113 A G T << S+ 0 0 53 -3,-1.4 2,-1.4 -4,-0.8 -1,-0.3 0.556 74.6 90.1 -81.0 -7.0 22.6 14.9 1.5 114 114 A F <> + 0 0 41 -3,-2.6 4,-2.9 1,-0.2 5,-0.3 -0.410 52.4 158.9 -86.2 57.7 24.6 12.8 -1.0 115 115 A T H > + 0 0 66 -2,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.877 66.0 46.5 -45.5 -57.8 21.4 11.4 -2.4 116 116 A N H > S+ 0 0 97 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.866 115.1 44.8 -59.0 -46.5 22.7 10.3 -5.7 117 117 A S H > S+ 0 0 1 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.885 108.6 57.7 -69.3 -37.2 25.9 8.6 -4.4 118 118 A L H X S+ 0 0 18 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.917 108.7 47.6 -55.4 -43.5 24.0 6.9 -1.5 119 119 A R H X S+ 0 0 151 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.932 111.9 47.6 -64.8 -44.8 21.8 5.2 -4.2 120 120 A M H X>S+ 0 0 40 -4,-2.0 5,-2.1 2,-0.2 4,-0.6 0.929 111.9 51.4 -66.7 -38.3 24.7 4.1 -6.4 121 121 A L H ><5S+ 0 0 21 -4,-3.1 3,-1.8 1,-0.2 -1,-0.2 0.964 110.3 48.4 -59.6 -48.2 26.4 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 92 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.876 111.8 50.2 -57.9 -34.7 23.3 0.9 -2.4 123 123 A Q H 3<5S- 0 0 68 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.493 112.2-120.1 -84.7 -1.5 23.1 -0.4 -6.0 124 124 A K T <<5 + 0 0 102 -3,-1.8 2,-1.5 -4,-0.6 -3,-0.2 0.722 63.5 146.4 68.7 24.8 26.7 -1.5 -6.0 125 125 A R >< + 0 0 106 -5,-2.1 4,-2.4 1,-0.2 5,-0.2 -0.650 21.1 174.0 -94.8 75.8 27.6 0.8 -8.9 126 126 A W H > + 0 0 53 -2,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.879 68.8 44.1 -55.8 -52.1 31.1 1.5 -7.6 127 127 A D H > S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.938 114.7 50.5 -65.3 -37.8 32.7 3.5 -10.3 128 128 A E H > S+ 0 0 107 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.917 109.7 49.8 -62.4 -43.7 29.6 5.6 -10.8 129 129 A A H X S+ 0 0 2 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.898 108.8 53.8 -59.5 -43.0 29.5 6.3 -7.1 130 130 A A H X S+ 0 0 14 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.911 109.5 47.3 -63.0 -41.2 33.1 7.3 -7.1 131 131 A V H < S+ 0 0 98 -4,-2.4 4,-0.5 2,-0.2 3,-0.4 0.943 114.1 46.9 -67.2 -45.5 32.6 9.8 -9.9 132 132 A N H >< S+ 0 0 35 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.905 107.9 56.9 -64.8 -33.8 29.6 11.3 -8.2 133 133 A L H 3< S+ 0 0 6 -4,-3.0 6,-0.4 1,-0.3 -1,-0.2 0.853 101.5 56.0 -65.5 -32.5 31.3 11.5 -4.9 134 134 A A T 3< S+ 0 0 26 -4,-1.2 2,-1.6 -3,-0.4 -1,-0.3 0.575 85.7 82.4 -77.0 -13.0 34.1 13.6 -6.3 135 135 A K S < S+ 0 0 164 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.528 80.3 100.3 -86.5 63.9 31.7 16.2 -7.6 136 136 A S S > S- 0 0 19 -2,-1.6 4,-1.9 1,-0.1 5,-0.2 -0.992 85.8-118.0-149.2 158.8 31.6 17.9 -4.2 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-3.1 2,-0.2 5,-0.3 0.909 114.2 64.2 -59.3 -41.5 32.8 20.7 -2.2 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.9 2,-0.2 8,-0.2 0.957 105.6 41.2 -43.1 -59.1 34.3 17.9 0.1 139 139 A Y H 4 S+ 0 0 62 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.890 114.6 52.0 -60.2 -44.7 36.6 16.6 -2.6 140 140 A N H < S+ 0 0 108 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.856 115.2 41.4 -65.3 -35.5 37.6 20.1 -3.8 141 141 A Q H < S+ 0 0 106 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.854 133.5 17.7 -82.1 -38.5 38.5 21.3 -0.3 142 142 A T S X S+ 0 0 22 -4,-2.9 4,-2.1 -5,-0.3 -1,-0.2 -0.555 73.4 162.1-131.5 72.4 40.3 18.1 0.9 143 143 A P H > + 0 0 46 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.875 68.0 53.6 -60.8 -43.9 41.1 16.2 -2.1 144 144 A N H > S+ 0 0 110 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.930 115.2 39.8 -62.5 -42.4 43.8 13.9 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.923 114.6 54.3 -66.9 -48.2 41.7 12.6 2.1 146 146 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.922 106.5 52.4 -50.7 -47.8 38.6 12.5 -0.2 147 147 A K H X S+ 0 0 95 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.886 108.8 50.4 -59.6 -41.0 40.6 10.3 -2.7 148 148 A R H X S+ 0 0 68 -4,-1.5 4,-1.5 -5,-0.2 12,-0.2 0.922 114.3 43.0 -59.2 -46.1 41.5 7.9 0.0 149 149 A V H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.931 114.5 50.5 -70.3 -39.0 37.9 7.5 1.2 150 150 A I H X S+ 0 0 14 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.893 109.1 50.4 -67.8 -39.2 36.5 7.3 -2.3 151 151 A T H X S+ 0 0 41 -4,-2.5 4,-2.5 -5,-0.2 6,-0.4 0.839 109.9 52.3 -63.7 -36.4 39.0 4.6 -3.3 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 5,-0.3 0.909 113.4 43.0 -63.2 -45.8 38.0 2.7 -0.2 153 153 A A H < S+ 0 0 8 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.884 115.1 50.7 -69.8 -35.7 34.4 2.9 -1.1 154 154 A R H < S+ 0 0 93 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.927 124.7 23.9 -68.4 -43.4 35.0 2.2 -4.7 155 155 A T H < S- 0 0 40 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.546 85.8-133.4 -98.0 -18.1 37.1 -0.9 -4.1 156 156 A G S < S+ 0 0 16 -4,-2.5 2,-0.3 -5,-0.2 -62,-0.2 0.838 74.8 104.8 66.6 21.0 36.2 -2.3 -0.8 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.3 -1,-0.2 -0.904 76.8-125.9-131.9 167.3 40.0 -2.7 -0.0 158 158 A W >> + 0 0 34 -2,-0.3 3,-2.5 1,-0.2 4,-0.7 0.139 69.5 121.0 -93.6 15.3 42.4 -0.7 2.2 159 159 A D G >4 + 0 0 111 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.793 68.2 58.5 -51.7 -33.8 44.9 -0.1 -0.6 160 160 A A G 34 S+ 0 0 32 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.658 109.2 46.9 -71.6 -15.3 44.7 3.7 -0.3 161 161 A Y G <4 0 0 21 -3,-2.5 -1,-0.2 -13,-0.1 -2,-0.2 0.538 360.0 360.0-104.1 -5.6 45.8 3.4 3.3 162 162 A K << 0 0 176 -3,-0.8 -3,-0.0 -4,-0.7 0, 0.0 -0.239 360.0 360.0 -94.5 360.0 48.8 1.0 2.7