==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-JUL-08 3DMX . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE T4; . AUTHOR L.LIU,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9064.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 70.7 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 . 10 6.1 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 . 9 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 52.4 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 0 1 2 1 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 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 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 74 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 146.3 43.2 -1.6 8.9 2 2 A N > - 0 0 67 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.929 360.0 -80.0-158.1 177.4 39.9 -0.6 10.5 3 3 A I H > S+ 0 0 24 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.831 126.4 51.2 -57.1 -36.7 37.7 2.5 11.1 4 4 A F H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.954 114.3 41.2 -66.7 -48.9 39.9 3.6 14.0 5 5 A E H > S+ 0 0 93 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.861 115.3 54.0 -65.4 -36.1 43.2 3.4 12.1 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.952 111.9 41.3 -63.1 -52.8 41.5 4.9 9.0 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.4 0.843 109.9 59.8 -67.9 -33.1 40.3 8.0 10.8 8 8 A R H X S+ 0 0 106 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.909 108.8 45.0 -58.3 -43.0 43.6 8.3 12.7 9 9 A I H < S+ 0 0 47 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.951 118.0 43.0 -62.4 -50.6 45.3 8.6 9.3 10 10 A D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.803 125.6 31.2 -68.7 -32.8 42.7 11.1 8.0 11 11 A E H < S- 0 0 44 -4,-2.9 19,-0.4 -5,-0.1 -1,-0.2 0.685 92.7-152.8-101.8 -22.1 42.4 13.2 11.1 12 12 A G < - 0 0 22 -4,-1.9 2,-0.4 -5,-0.4 -1,-0.1 -0.198 23.7 -87.2 73.1-174.9 45.9 13.0 12.6 13 13 A L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.955 45.4 165.4-137.7 119.4 46.6 13.4 16.4 14 14 A R E -A 28 0A 150 14,-1.5 14,-2.3 -2,-0.4 4,-0.1 -0.999 21.9-160.8-134.9 130.9 47.2 16.8 18.1 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.437 73.8 63.7 -95.2 -1.6 47.0 17.3 21.8 16 16 A K E S-C 57 0B 147 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.907 101.4 -83.6-119.6 151.4 46.6 21.1 21.8 17 17 A I E + 0 0 33 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.276 58.9 166.9 -54.9 128.9 43.6 23.1 20.4 18 18 A Y E -A 26 0A 27 8,-2.8 8,-3.1 -4,-0.1 2,-0.5 -0.869 37.6-102.4-136.3 169.5 44.0 23.6 16.6 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.865 34.4-137.9 -99.6 131.8 41.9 24.8 13.7 20 20 A D > - 0 0 44 4,-2.9 3,-1.8 -2,-0.5 -1,-0.1 0.057 42.7 -76.8 -73.1-170.3 40.5 22.1 11.4 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.736 134.8 48.9 -66.3 -22.2 40.3 22.4 7.6 22 22 A E T 3 S- 0 0 75 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.381 123.7-102.4 -95.1 0.3 37.3 24.7 7.8 23 23 A G S < S+ 0 0 39 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.610 75.8 140.4 87.1 15.9 39.0 26.9 10.4 24 24 A Y - 0 0 75 1,-0.1 -4,-2.9 9,-0.0 -1,-0.3 -0.761 61.0-101.2 -98.7 138.1 37.1 25.5 13.4 25 25 A Y E +A 19 0A 36 11,-0.4 8,-2.5 9,-0.4 9,-1.2 -0.280 54.7 162.1 -58.9 131.2 38.6 24.9 16.8 26 26 A T E -AB 18 32A 2 -8,-3.1 -8,-2.8 6,-0.3 2,-0.3 -0.896 19.4-164.4-148.3 160.2 39.4 21.2 17.2 27 27 A I E > - B 0 31A 0 4,-1.7 4,-2.6 -2,-0.3 -12,-0.2 -0.977 51.6 -1.4-149.4 162.0 41.5 18.8 19.4 28 28 A G E 4 S-A 14 0A 1 -14,-2.3 -14,-1.5 -2,-0.3 2,-1.1 -0.344 124.7 -3.3 66.6-129.2 42.8 15.2 19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.658 130.0 -54.0-100.3 73.6 41.8 13.1 16.5 30 30 A G T 4 S+ 0 0 13 -2,-1.1 2,-1.1 -19,-0.4 -2,-0.2 0.833 81.3 165.3 61.2 36.0 39.5 15.5 14.7 31 31 A H E < -B 27 0A 29 -4,-2.6 -4,-1.7 -20,-0.1 -1,-0.2 -0.741 30.5-143.1 -84.0 100.6 37.3 16.3 17.7 32 32 A L E -B 26 0A 75 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.442 20.1-177.4 -62.2 126.7 35.4 19.4 16.7 33 33 A L - 0 0 12 -8,-2.5 2,-0.3 1,-0.4 -7,-0.2 0.863 58.5 -31.3 -92.5 -44.8 34.9 21.7 19.7 34 34 A T - 0 0 30 -9,-1.2 -9,-0.4 2,-0.1 -1,-0.4 -0.969 35.0-131.4-171.4 153.6 32.9 24.5 18.3 35 35 A K S S+ 0 0 140 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.464 76.3 113.5 -91.2 -3.3 32.2 26.5 15.1 36 36 A S - 0 0 43 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.422 70.0-137.7 -68.2 138.0 32.6 29.7 17.2 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.504 76.1 105.4 -73.6 -3.0 35.6 32.0 16.5 38 38 A S > - 0 0 49 1,-0.2 4,-1.7 2,-0.0 5,-0.1 -0.707 57.0-162.0 -83.6 117.4 36.1 32.4 20.3 39 39 A L H > S+ 0 0 69 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.862 94.1 56.9 -61.7 -37.6 39.0 30.4 21.7 40 40 A N H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.883 104.9 51.0 -60.5 -40.4 37.5 30.8 25.1 41 41 A A H > S+ 0 0 31 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.879 110.5 49.6 -62.8 -41.3 34.3 29.1 23.9 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.900 109.5 50.6 -64.2 -42.7 36.4 26.3 22.5 43 43 A K H X S+ 0 0 51 -4,-2.5 4,-2.6 2,-0.2 11,-0.3 0.877 109.3 52.3 -63.1 -38.8 38.3 25.8 25.8 44 44 A S H X S+ 0 0 71 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.916 109.4 48.4 -62.1 -46.8 35.0 25.7 27.6 45 45 A E H X S+ 0 0 67 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.895 111.8 51.3 -59.4 -42.9 33.7 22.9 25.2 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.940 109.0 48.6 -59.6 -51.1 37.0 21.1 25.8 47 47 A D H X>S+ 0 0 36 -4,-2.6 4,-2.6 1,-0.2 5,-1.0 0.889 112.8 49.4 -56.8 -41.6 36.7 21.2 29.6 48 48 A K H <5S+ 0 0 146 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.866 112.0 48.5 -64.0 -40.5 33.1 20.0 29.4 49 49 A A H <5S+ 0 0 38 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.863 120.6 35.0 -68.8 -38.5 34.1 17.1 27.1 50 50 A I H <5S- 0 0 37 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.753 102.5-125.7 -89.8 -30.8 37.0 16.0 29.3 51 51 A G T <5S+ 0 0 68 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.716 77.4 73.6 88.1 24.4 35.6 16.7 32.7 52 52 A R S - 0 0 13 -2,-1.0 3,-0.9 -11,-0.3 -1,-0.2 0.741 33.1-146.1 -92.7 -28.0 42.4 21.6 30.7 55 55 A N T 3 S- 0 0 109 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.894 74.6 -52.3 45.9 47.0 43.4 25.1 29.4 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.8 1,-0.1 2,-0.4 0.454 116.7 97.4 84.2 3.4 43.6 23.8 25.8 57 57 A V B < +C 16 0B 69 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.989 43.1 176.0-128.3 134.4 45.9 20.7 26.3 58 58 A I - 0 0 4 -43,-2.6 2,-0.1 -2,-0.4 -30,-0.1 -0.845 28.3-108.7-127.9 167.7 44.9 17.1 26.7 59 59 A T > - 0 0 69 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.447 32.6-108.5 -88.6 166.5 46.8 13.7 27.0 60 60 A K H > S+ 0 0 113 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.902 121.2 53.8 -58.8 -42.8 46.9 11.0 24.3 61 61 A D H > S+ 0 0 125 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 109.9 47.2 -58.8 -44.5 44.6 8.8 26.5 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 110.9 51.2 -64.5 -43.7 42.1 11.6 26.7 63 63 A A H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -34,-0.4 0.913 111.5 48.4 -58.5 -43.7 42.3 12.2 22.9 64 64 A E H X S+ 0 0 90 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.857 108.0 55.1 -66.3 -35.4 41.7 8.5 22.3 65 65 A K H X S+ 0 0 138 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.952 111.0 43.5 -62.4 -50.7 38.7 8.5 24.7 66 66 A L H X S+ 0 0 6 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.893 112.0 55.8 -58.5 -40.9 37.0 11.4 22.8 67 67 A F H X S+ 0 0 13 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.933 107.0 48.0 -58.7 -48.8 37.9 9.6 19.6 68 68 A N H X S+ 0 0 91 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.920 113.0 48.9 -58.2 -44.8 36.1 6.4 20.6 69 69 A Q H X S+ 0 0 96 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.901 111.4 49.8 -61.0 -43.2 33.1 8.4 21.7 70 70 A D H X S+ 0 0 33 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.865 110.4 48.5 -65.4 -40.7 33.0 10.2 18.4 71 71 A V H X S+ 0 0 7 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.937 113.3 48.7 -63.0 -46.8 33.3 7.0 16.3 72 72 A D H X S+ 0 0 79 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.923 110.4 51.3 -56.1 -48.2 30.5 5.5 18.4 73 73 A A H X S+ 0 0 55 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.862 108.5 51.6 -59.0 -39.1 28.4 8.7 17.9 74 74 A A H X S+ 0 0 6 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.930 112.7 44.5 -65.0 -47.0 28.9 8.6 14.1 75 75 A V H X S+ 0 0 31 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.944 114.1 49.5 -60.6 -50.9 27.7 4.9 13.9 76 76 A R H X S+ 0 0 120 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.863 109.6 53.3 -56.8 -39.7 24.8 5.6 16.2 77 77 A G H X S+ 0 0 10 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.889 108.4 48.7 -62.5 -44.7 23.9 8.7 14.0 78 78 A I H >< S+ 0 0 4 -4,-2.1 3,-1.0 1,-0.2 7,-0.5 0.929 111.3 50.3 -58.1 -48.1 23.8 6.6 10.8 79 79 A L H 3< S+ 0 0 65 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.770 111.3 48.0 -67.7 -25.9 21.6 3.9 12.5 80 80 A R H 3< S+ 0 0 190 -4,-1.4 2,-0.5 -5,-0.2 -1,-0.3 0.522 93.7 92.1 -89.9 -8.4 19.1 6.5 13.8 81 81 A N S+ 0 0 135 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.873 119.5 40.8 -80.7 -39.6 18.0 7.8 4.9 84 84 A L H > S+ 0 0 7 -7,-0.2 4,-2.7 1,-0.2 5,-0.2 0.865 101.7 66.6 -81.4 -39.2 21.5 6.5 6.0 85 85 A K H X S+ 0 0 87 -4,-2.6 4,-3.1 -7,-0.5 5,-0.2 0.890 99.8 48.0 -55.4 -50.6 20.6 3.3 7.8 86 86 A P H > S+ 0 0 57 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.896 115.0 46.9 -59.6 -38.7 19.3 1.2 4.8 87 87 A V H X S+ 0 0 10 -4,-0.6 4,-0.6 2,-0.2 3,-0.3 0.945 114.2 46.9 -67.4 -46.2 22.3 2.2 2.8 88 88 A Y H >< S+ 0 0 31 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.919 110.8 52.0 -58.7 -47.5 24.7 1.4 5.6 89 89 A D H 3< S+ 0 0 72 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.792 105.4 57.3 -58.9 -30.2 23.0 -1.9 6.3 90 90 A S H 3< S+ 0 0 36 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.653 95.5 88.0 -76.5 -17.2 23.4 -2.8 2.6 91 91 A L S << S- 0 0 7 -3,-1.3 2,-0.1 -4,-0.6 31,-0.0 -0.435 77.1-117.3 -87.9 154.5 27.2 -2.4 2.7 92 92 A D > - 0 0 54 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.376 43.7 -96.0 -73.1 167.0 30.0 -4.8 3.5 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.786 122.0 52.7 -62.4 -34.3 32.3 -3.9 6.5 94 94 A V H > S+ 0 0 31 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.954 113.1 43.3 -67.1 -48.9 35.0 -2.1 4.5 95 95 A R H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.832 107.2 62.0 -67.4 -29.8 32.5 0.2 2.8 96 96 A R H X S+ 0 0 79 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.891 100.9 53.6 -59.4 -39.4 30.8 0.7 6.2 97 97 A A H X S+ 0 0 5 -4,-1.4 4,-2.7 -3,-0.3 -1,-0.2 0.914 106.0 52.0 -60.3 -43.2 34.0 2.2 7.5 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.895 109.3 51.1 -60.1 -39.5 34.0 4.6 4.5 99 99 A A H X S+ 0 0 15 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.909 110.4 47.3 -61.3 -47.1 30.4 5.6 5.5 100 100 A I H X S+ 0 0 9 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.911 108.7 56.4 -61.8 -42.5 31.4 6.2 9.1 101 101 A N H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.932 107.4 48.1 -54.7 -51.4 34.4 8.3 7.9 102 102 A M H X S+ 0 0 4 -4,-2.1 4,-2.7 2,-0.2 5,-0.4 0.909 113.9 45.8 -54.0 -49.7 32.1 10.6 5.9 103 103 A V H X S+ 0 0 5 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.900 109.2 55.9 -65.0 -41.4 29.7 11.1 8.9 104 104 A F H < S+ 0 0 31 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.915 115.9 38.3 -52.2 -44.8 32.7 11.7 11.2 105 105 A Q H < S+ 0 0 52 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.881 134.2 15.3 -78.9 -41.3 33.9 14.5 8.9 106 106 A M H X S- 0 0 56 -4,-2.7 4,-0.6 -5,-0.2 -3,-0.2 0.485 101.8-117.3-119.7 -5.4 30.7 16.2 7.8 107 107 A G H X - 0 0 22 -4,-2.3 4,-2.1 -5,-0.4 5,-0.2 0.169 34.6 -73.6 83.3 158.0 27.9 15.0 10.2 108 108 A E H > S+ 0 0 80 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.873 128.2 49.6 -53.8 -48.2 24.7 13.0 9.6 109 109 A T H > S+ 0 0 130 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.927 110.1 50.5 -61.5 -49.0 22.8 15.9 8.0 110 110 A G H < S+ 0 0 38 -4,-0.6 3,-0.5 1,-0.2 -1,-0.2 0.882 115.0 42.8 -54.8 -45.9 25.6 16.7 5.5 111 111 A V H >< S+ 0 0 8 -4,-2.1 3,-2.9 1,-0.2 -2,-0.2 0.916 104.4 63.6 -69.2 -44.6 25.9 13.1 4.4 112 112 A A H 3< S+ 0 0 12 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.698 95.7 62.6 -55.1 -21.1 22.1 12.4 4.2 113 113 A G T 3< S+ 0 0 58 -4,-0.9 2,-0.7 -3,-0.5 -1,-0.3 0.385 75.6 88.3 -85.0 0.0 22.0 15.1 1.4 114 114 A F <> + 0 0 38 -3,-2.9 4,-2.9 1,-0.2 5,-0.2 -0.311 56.5 152.5 -85.0 47.7 24.3 12.9 -0.8 115 115 A T H > + 0 0 65 -2,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.842 65.2 43.8 -50.5 -48.4 21.0 11.4 -2.0 116 116 A N H > S+ 0 0 87 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.882 114.8 48.8 -71.6 -39.2 22.1 10.3 -5.5 117 117 A S H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.911 110.3 52.9 -61.0 -45.8 25.4 8.9 -4.3 118 118 A L H X S+ 0 0 21 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.893 107.9 50.3 -58.9 -44.5 23.6 7.0 -1.5 119 119 A R H X S+ 0 0 122 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.934 111.0 48.5 -58.5 -48.3 21.2 5.4 -4.0 120 120 A M H <>S+ 0 0 42 -4,-2.0 5,-2.7 1,-0.2 4,-0.4 0.859 110.3 52.4 -63.0 -36.9 24.2 4.3 -6.3 121 121 A L H ><5S+ 0 0 4 -4,-2.3 3,-1.1 2,-0.2 -1,-0.2 0.926 110.2 46.9 -63.2 -46.5 25.9 2.9 -3.2 122 122 A Q H 3<5S+ 0 0 93 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.857 111.7 51.9 -63.9 -33.4 22.8 0.8 -2.2 123 123 A Q T 3<5S- 0 0 90 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.565 111.4-126.5 -74.4 -10.6 22.6 -0.3 -5.9 124 124 A K T < 5 + 0 0 98 -3,-1.1 2,-1.3 -4,-0.4 -3,-0.2 0.830 59.5 148.1 61.4 36.0 26.3 -1.3 -5.7 125 125 A R >< + 0 0 121 -5,-2.7 4,-3.2 1,-0.2 5,-0.2 -0.659 21.0 174.3 -94.6 74.7 27.1 0.8 -8.8 126 126 A W H > + 0 0 51 -2,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.839 68.9 44.9 -61.6 -45.0 30.5 1.4 -7.4 127 127 A D H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.917 117.4 46.2 -66.5 -42.3 32.1 3.3 -10.3 128 128 A E H > S+ 0 0 103 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.912 112.7 50.2 -64.2 -45.4 29.0 5.5 -10.7 129 129 A A H X S+ 0 0 1 -4,-3.2 4,-2.8 -9,-0.2 -2,-0.2 0.922 110.3 51.2 -56.4 -46.9 28.8 6.1 -7.0 130 130 A A H X S+ 0 0 12 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.905 110.2 48.1 -58.7 -46.0 32.5 7.1 -7.0 131 131 A V H < S+ 0 0 88 -4,-2.2 4,-0.4 1,-0.2 3,-0.3 0.921 114.4 46.9 -61.0 -45.3 32.0 9.6 -9.8 132 132 A N H >< S+ 0 0 38 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.901 106.4 56.9 -65.6 -43.1 29.0 11.1 -8.1 133 133 A L H 3< S+ 0 0 1 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.816 102.6 56.7 -56.4 -34.3 30.7 11.4 -4.7 134 134 A A T 3< S+ 0 0 27 -4,-1.3 2,-1.7 -3,-0.3 -1,-0.3 0.615 85.1 82.8 -76.4 -14.9 33.5 13.5 -6.2 135 135 A K S < S+ 0 0 158 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.2 -0.536 81.4 99.1 -86.3 67.5 31.0 16.1 -7.5 136 136 A S S > S- 0 0 16 -2,-1.7 4,-2.1 1,-0.1 5,-0.2 -0.992 86.0-117.9-153.9 151.9 30.9 17.8 -4.1 137 137 A R H > S+ 0 0 147 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.906 116.3 62.4 -53.2 -42.6 32.2 20.6 -2.0 138 138 A W H > S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.921 106.0 41.2 -49.5 -55.6 33.6 17.8 0.1 139 139 A Y H 4 S+ 0 0 62 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.919 115.8 50.5 -61.7 -45.9 35.9 16.5 -2.7 140 140 A N H < S+ 0 0 113 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.862 116.6 39.6 -64.3 -36.7 36.9 20.0 -3.8 141 141 A Q H < S+ 0 0 109 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.854 133.9 21.4 -83.0 -37.4 37.8 21.2 -0.3 142 142 A T S X S+ 0 0 20 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 -0.553 74.2 158.4-127.8 69.6 39.5 18.0 0.9 143 143 A P H > S+ 0 0 49 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.885 71.0 49.2 -66.3 -42.3 40.4 16.1 -2.3 144 144 A N H > S+ 0 0 108 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.931 117.2 41.5 -63.9 -44.9 43.2 13.8 -1.0 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.929 116.4 49.1 -64.8 -47.2 41.1 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.903 107.7 55.7 -59.9 -41.9 37.9 12.3 -0.2 147 147 A K H X S+ 0 0 99 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.887 108.5 47.6 -57.2 -43.0 39.9 10.4 -2.8 148 148 A R H X S+ 0 0 57 -4,-1.6 4,-1.8 2,-0.2 12,-0.2 0.925 114.7 45.2 -62.3 -46.6 40.9 7.8 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.905 114.5 48.7 -66.9 -41.7 37.3 7.5 1.1 150 150 A I H X S+ 0 0 14 -4,-3.3 4,-2.9 2,-0.2 -2,-0.2 0.906 108.3 53.4 -65.6 -41.9 35.9 7.3 -2.4 151 151 A T H X S+ 0 0 38 -4,-2.4 4,-2.5 -5,-0.2 6,-0.4 0.883 107.8 52.6 -59.0 -37.5 38.5 4.6 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.917 111.9 44.6 -64.4 -44.0 37.3 2.6 -0.4 153 153 A F H < S+ 0 0 3 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.871 115.6 48.9 -64.7 -39.5 33.7 2.9 -1.6 154 154 A R H < S+ 0 0 104 -4,-2.9 -2,-0.2 1,-0.1 -1,-0.2 0.907 126.5 22.0 -68.4 -41.4 34.7 2.0 -5.2 155 155 A T H < S- 0 0 40 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.685 84.8-134.8-103.9 -25.7 36.8 -1.1 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.760 73.3 109.0 66.8 23.9 35.7 -2.4 -1.0 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.809 79.1-124.4-122.2 167.5 39.4 -2.7 -0.2 158 158 A W S >> S+ 0 0 54 -2,-0.3 3,-2.1 1,-0.2 4,-2.0 0.088 71.1 122.2 -93.8 19.5 41.8 -0.8 2.1 159 159 A D T 34 + 0 0 117 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.804 67.5 57.2 -56.5 -33.9 44.2 -0.1 -0.8 160 160 A A T 34 S+ 0 0 19 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.613 121.1 28.3 -73.5 -10.9 44.0 3.7 -0.3 161 161 A Y T X4 S+ 0 0 0 -3,-2.1 3,-0.5 -13,-0.1 -2,-0.2 0.519 93.7 92.4-121.0 -17.5 45.3 3.3 3.3 162 162 A K T 3< S+ 0 0 172 -4,-2.0 -3,-0.1 1,-0.2 -2,-0.1 0.781 93.9 41.1 -54.1 -33.9 47.4 0.1 3.2 163 163 A N T 3 0 0 154 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.723 360.0 360.0 -88.7 -27.5 50.6 2.1 2.5 164 164 A L < 0 0 119 -3,-0.5 -2,-0.2 -4,-0.1 -1,-0.2 0.382 360.0 360.0 -96.7 360.0 50.2 5.0 4.8