==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 05-FEB-88 1L09 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR S.DAO-PIN,J.BELL,T.ALBER,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8703.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 72.6 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 7.3 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 . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 53.0 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 1 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 87 0, 0.0 2,-0.2 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 150.7 37.0 -23.5 9.0 2 2 A N > - 0 0 70 95,-0.0 4,-2.5 92,-0.0 3,-0.2 -0.829 360.0 -84.6-141.6 174.8 34.8 -21.0 10.9 3 3 A I H > S+ 0 0 21 -2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.848 124.3 51.5 -54.2 -42.3 34.4 -17.3 11.4 4 4 A F H > S+ 0 0 76 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.915 112.3 45.0 -64.7 -41.0 37.0 -17.1 14.1 5 5 A E H > S+ 0 0 86 -3,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.883 113.0 51.5 -69.7 -39.0 39.6 -19.0 12.1 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.924 113.0 44.0 -62.6 -48.1 39.0 -17.0 9.1 7 7 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 5,-0.3 0.813 108.1 57.6 -71.1 -28.7 39.3 -13.7 10.9 8 8 A R H X S+ 0 0 93 -4,-1.5 4,-1.8 -5,-0.3 -1,-0.2 0.892 106.1 50.0 -73.4 -23.7 42.3 -14.7 12.7 9 9 A I H < S+ 0 0 59 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.926 116.1 44.0 -71.1 -44.6 44.0 -15.4 9.3 10 10 A D H < S+ 0 0 19 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.756 124.5 29.6 -72.2 -32.0 43.0 -12.0 8.0 11 11 A E H < S- 0 0 36 -4,-2.0 19,-0.3 -5,-0.1 -1,-0.2 0.752 90.2-152.3-103.5 -31.6 43.9 -10.0 11.1 12 12 A G < - 0 0 19 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.1 -0.195 24.8 -84.5 83.2-177.2 46.8 -11.8 12.7 13 13 A L + 0 0 44 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.983 43.5 170.9-135.4 122.0 47.6 -11.7 16.5 14 14 A R E -A 28 0A 124 14,-1.2 14,-2.7 -2,-0.4 4,-0.1 -0.998 18.9-166.5-136.0 128.0 49.7 -8.9 18.1 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.7 12,-0.2 2,-0.3 0.452 73.0 65.8 -95.9 -2.4 50.0 -8.5 21.8 16 16 A K E S-C 57 0B 122 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.904 100.3 -89.0-121.5 141.7 51.5 -5.0 21.7 17 17 A I E + 0 0 23 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.251 59.3 171.4 -50.3 139.2 49.7 -1.8 20.5 18 18 A Y E -A 26 0A 32 8,-2.9 8,-3.0 -4,-0.1 2,-0.4 -0.861 32.8 -98.1-143.5 171.1 50.3 -1.5 16.8 19 19 A K E -A 25 0A 129 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.894 33.5-126.2-101.6 134.7 49.1 0.6 13.7 20 20 A D > - 0 0 54 4,-2.4 3,-1.9 -2,-0.4 -1,-0.1 -0.014 38.1 -97.2 -45.7 170.0 46.4 -0.5 11.2 21 21 A T T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.781 134.2 55.9 -65.4 -23.4 47.0 -0.7 7.6 22 22 A E T 3 S- 0 0 82 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.456 125.1-104.8 -84.4 -2.3 45.3 2.6 8.1 23 23 A G S < S+ 0 0 36 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.468 75.7 140.0 81.8 11.9 47.7 4.0 10.6 24 24 A Y - 0 0 71 1,-0.1 -4,-2.4 9,-0.0 2,-0.3 -0.627 60.7-103.1 -94.9 152.3 45.4 3.4 13.5 25 25 A Y E +AB 19 34A 32 9,-0.6 8,-3.1 11,-0.3 9,-1.3 -0.465 53.5 159.2 -67.1 124.8 46.1 2.2 16.9 26 26 A T E -AB 18 32A 3 -8,-3.0 -8,-2.9 -2,-0.3 2,-0.3 -0.886 19.2-171.2-140.8 161.2 45.1 -1.5 17.3 27 27 A I E > + B 0 31A 0 4,-1.7 4,-1.8 -2,-0.3 -12,-0.2 -0.981 52.6 3.8-150.0 163.3 45.9 -4.5 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.7 -14,-1.2 -2,-0.3 2,-0.9 -0.368 123.1 -6.4 72.6-133.1 45.1 -8.2 19.5 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.620 127.3 -53.5-102.5 72.3 43.1 -9.7 16.7 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-0.9 -19,-0.3 -2,-0.2 0.763 83.6 159.4 66.7 29.6 42.2 -6.5 14.7 31 31 A H E < -B 27 0A 34 -4,-1.8 -4,-1.7 32,-0.0 -1,-0.2 -0.745 33.7-143.9 -84.8 100.0 40.7 -4.6 17.7 32 32 A L E -B 26 0A 72 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.438 18.7-176.4 -63.2 128.4 40.8 -0.9 16.8 33 33 A L E - 0 0 14 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.861 59.8 -20.7 -94.0 -49.8 41.5 1.2 19.9 34 34 A T E -B 25 0A 27 -9,-1.3 -9,-0.6 2,-0.1 -1,-0.4 -0.997 37.6-140.6-152.8 158.3 41.3 4.7 18.6 35 35 A K S S+ 0 0 140 -2,-0.3 -1,-0.1 -11,-0.1 -3,-0.0 0.398 74.7 109.1 -99.8 2.9 41.5 6.7 15.4 36 36 A S S S- 0 0 38 2,-0.1 -11,-0.3 1,-0.1 6,-0.1 -0.515 75.1-125.3 -74.8 143.7 43.5 9.4 17.3 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.598 77.5 96.8 -75.4 -7.8 47.1 10.1 16.8 38 38 A S > - 0 0 55 1,-0.2 4,-2.2 -13,-0.0 3,-0.2 -0.713 57.7-156.6 -94.6 132.4 48.2 9.8 20.4 39 39 A L H > S+ 0 0 71 -2,-0.6 4,-2.1 1,-0.3 -1,-0.2 0.698 100.7 61.1 -62.6 -24.1 49.6 6.6 21.6 40 40 A N H > S+ 0 0 121 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.958 101.0 47.7 -75.2 -41.4 48.5 8.0 24.9 41 41 A A H > S+ 0 0 35 -3,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.906 114.1 51.7 -57.2 -40.2 44.8 8.2 23.9 42 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.887 106.3 51.5 -66.3 -43.5 45.3 4.6 22.7 43 43 A K H X S+ 0 0 45 -4,-2.1 4,-1.8 1,-0.2 11,-0.3 0.821 109.6 51.0 -61.7 -32.8 46.8 3.4 25.9 44 44 A S H X S+ 0 0 71 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.867 108.7 49.4 -75.3 -35.4 43.9 4.8 27.8 45 45 A E H X S+ 0 0 65 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.915 109.3 55.3 -66.6 -42.0 41.3 3.2 25.6 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.931 107.8 45.5 -57.0 -51.4 43.2 -0.1 26.1 47 47 A D H X>S+ 0 0 34 -4,-1.8 4,-1.9 2,-0.2 5,-0.8 0.828 113.6 51.4 -62.2 -34.9 43.1 -0.0 29.8 48 48 A K H <5S+ 0 0 142 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.905 111.2 48.6 -66.8 -40.7 39.5 1.0 29.7 49 49 A A H <5S+ 0 0 46 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.860 121.5 32.6 -69.1 -33.5 38.8 -2.0 27.4 50 50 A I H <5S- 0 0 35 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.734 100.7-124.9 -97.2 -30.1 40.7 -4.6 29.5 51 51 A G T <5S+ 0 0 67 -4,-1.9 2,-0.3 1,-0.4 -3,-0.2 0.753 77.9 74.7 87.8 24.7 40.0 -3.2 33.0 52 52 A R S - 0 0 4 -2,-0.9 3,-1.5 -11,-0.3 -1,-0.2 0.715 32.2-144.3 -99.5 -22.5 48.2 -2.6 30.7 55 55 A N T 3 S- 0 0 123 1,-0.3 3,-0.1 -12,-0.1 -2,-0.1 0.827 75.4 -55.4 61.2 37.3 51.0 -0.3 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.5 1,-0.2 2,-0.4 0.595 119.7 97.8 76.1 7.8 50.3 -1.1 26.0 57 57 A V B < -C 16 0B 60 -3,-1.5 2,-0.2 -41,-0.2 -41,-0.2 -0.983 46.1-179.6-136.1 138.5 50.6 -4.8 26.3 58 58 A I - 0 0 4 -43,-2.7 2,-0.1 -2,-0.4 -30,-0.1 -0.798 26.1-109.4-125.2 167.6 48.0 -7.6 26.8 59 59 A T > - 0 0 66 -2,-0.2 4,-2.3 1,-0.1 3,-0.2 -0.466 33.2-108.5 -88.1 165.3 47.9 -11.5 27.1 60 60 A K H > S+ 0 0 106 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.942 122.3 56.4 -54.5 -49.3 46.7 -14.0 24.6 61 61 A D H > S+ 0 0 112 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.854 106.1 46.1 -45.3 -51.0 43.9 -14.5 26.8 62 62 A E H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.865 110.2 56.7 -69.4 -33.8 42.8 -10.9 26.8 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -34,-0.4 0.890 108.7 45.1 -64.3 -43.1 43.3 -10.8 23.0 64 64 A E H X S+ 0 0 83 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.764 108.6 57.1 -72.1 -30.1 40.8 -13.6 22.5 65 65 A K H X S+ 0 0 117 -4,-1.2 4,-2.1 -5,-0.2 -2,-0.2 0.944 109.4 44.8 -64.2 -45.4 38.4 -12.1 25.0 66 66 A L H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.863 112.0 54.2 -61.0 -38.3 38.3 -8.9 22.9 67 67 A F H X S+ 0 0 12 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.946 106.0 50.8 -67.1 -44.1 38.0 -11.0 19.8 68 68 A N H X S+ 0 0 91 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.943 112.5 47.6 -57.0 -44.7 35.0 -12.9 21.1 69 69 A Q H X S+ 0 0 97 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.894 111.8 50.3 -59.9 -44.0 33.3 -9.5 21.9 70 70 A D H X S+ 0 0 35 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.884 110.9 46.3 -63.5 -43.1 34.1 -8.1 18.6 71 71 A V H X S+ 0 0 7 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.935 113.0 51.4 -66.0 -46.5 32.7 -11.0 16.5 72 72 A D H X S+ 0 0 81 -4,-2.1 4,-2.4 -5,-0.3 5,-0.3 0.951 111.7 47.0 -52.0 -50.1 29.5 -11.1 18.7 73 73 A A H X S+ 0 0 44 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.866 109.0 54.4 -63.6 -38.8 29.0 -7.4 18.1 74 74 A A H X S+ 0 0 9 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.947 111.4 44.7 -59.2 -50.5 29.6 -7.7 14.4 75 75 A V H X S+ 0 0 34 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.948 114.8 47.9 -57.1 -52.1 26.9 -10.4 14.1 76 76 A R H X S+ 0 0 134 -4,-2.4 4,-1.7 1,-0.3 -1,-0.2 0.859 110.0 54.0 -60.8 -34.2 24.4 -8.4 16.4 77 77 A G H X S+ 0 0 2 -4,-2.3 4,-0.5 -5,-0.3 -1,-0.3 0.910 107.4 48.1 -69.7 -41.9 25.1 -5.4 14.3 78 78 A I H >< S+ 0 0 0 -4,-1.9 3,-0.9 -3,-0.2 7,-0.5 0.934 111.5 52.8 -53.9 -49.6 24.2 -7.2 11.1 79 79 A L H 3< S+ 0 0 68 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.775 111.5 44.9 -61.4 -29.8 21.0 -8.5 12.7 80 80 A R H 3< S+ 0 0 182 -4,-1.7 2,-0.6 -5,-0.1 -1,-0.3 0.437 93.3 98.4 -90.4 -10.8 19.9 -5.0 13.8 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.4 -7,-0.2 3,-0.4 0.849 101.2 66.7 -86.9 -42.8 22.2 -5.9 6.3 85 85 A K H X S+ 0 0 79 -4,-3.0 4,-2.7 -7,-0.5 5,-0.2 0.850 98.9 50.8 -48.7 -48.3 19.8 -8.2 7.9 86 86 A P H > S+ 0 0 56 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.867 111.9 46.9 -64.6 -35.8 17.9 -9.2 4.7 87 87 A V H > S+ 0 0 4 -4,-0.4 4,-0.8 -3,-0.4 3,-0.3 0.957 112.8 49.7 -68.4 -46.2 21.1 -10.0 2.9 88 88 A Y H >< S+ 0 0 34 -4,-2.4 3,-1.5 1,-0.3 -3,-0.2 0.950 109.6 51.5 -54.4 -51.3 22.5 -12.1 5.8 89 89 A D H 3< S+ 0 0 76 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.796 108.3 52.8 -57.7 -32.9 19.2 -14.0 6.0 90 90 A S H 3< S+ 0 0 34 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.620 96.3 86.9 -77.7 -19.6 19.3 -14.8 2.4 91 91 A L S << S- 0 0 6 -3,-1.5 31,-0.0 -4,-0.8 30,-0.0 -0.573 75.4-116.2 -88.4 160.2 22.8 -16.2 2.4 92 92 A D > - 0 0 55 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.137 44.1 -91.1 -77.7 172.3 24.2 -19.7 3.0 93 93 A A H > S+ 0 0 75 1,-0.2 4,-1.2 2,-0.2 -2,-0.1 0.873 122.7 46.1 -60.0 -43.2 26.6 -20.4 6.0 94 94 A V H > S+ 0 0 28 62,-0.2 4,-1.0 2,-0.2 3,-0.5 0.924 113.8 46.2 -67.4 -48.5 29.8 -19.8 4.2 95 95 A R H > S+ 0 0 25 1,-0.3 4,-2.0 2,-0.2 3,-0.3 0.860 104.7 63.2 -66.7 -30.2 28.8 -16.6 2.5 96 96 A R H X S+ 0 0 81 -4,-2.2 4,-2.3 1,-0.2 -1,-0.3 0.925 99.7 54.5 -54.8 -43.0 27.4 -15.4 5.8 97 97 A C H X S+ 0 0 17 -4,-1.2 4,-1.8 -3,-0.5 -1,-0.2 0.841 103.4 55.5 -56.7 -39.1 31.0 -15.6 7.1 98 98 A A H X S+ 0 0 0 -4,-1.0 4,-1.8 -3,-0.3 -1,-0.2 0.863 108.9 47.3 -63.0 -38.1 32.2 -13.4 4.2 99 99 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.920 109.2 52.7 -72.4 -40.9 29.7 -10.7 5.2 100 100 A I H X S+ 0 0 8 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.900 107.2 54.0 -57.5 -40.9 30.7 -10.9 8.9 101 101 A N H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.936 107.9 49.1 -59.4 -48.6 34.4 -10.4 7.9 102 102 A M H X S+ 0 0 3 -4,-1.8 4,-2.5 1,-0.2 5,-0.3 0.890 111.4 49.5 -59.1 -44.3 33.6 -7.2 6.0 103 103 A V H X S+ 0 0 8 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.906 109.1 52.4 -62.3 -40.8 31.6 -5.8 8.9 104 104 A F H < S+ 0 0 32 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.931 116.9 38.9 -63.3 -40.9 34.4 -6.6 11.3 105 105 A Q H < S+ 0 0 58 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.870 133.6 18.6 -75.7 -39.5 36.9 -4.7 9.2 106 106 A M H X S- 0 0 56 -4,-2.5 4,-0.6 -5,-0.2 -3,-0.2 0.502 102.5-119.5-119.0 -4.5 34.9 -1.8 8.0 107 107 A G H X - 0 0 30 -4,-2.2 4,-1.9 -5,-0.3 5,-0.2 0.179 36.7 -74.0 75.8 160.7 31.9 -1.5 10.4 108 108 A E H > S+ 0 0 51 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.854 129.4 52.1 -49.6 -49.4 28.1 -1.8 9.8 109 109 A T H > S+ 0 0 116 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.944 106.9 50.2 -61.0 -50.2 28.0 1.6 8.2 110 110 A G H >< S+ 0 0 31 -4,-0.6 3,-0.6 1,-0.2 -1,-0.2 0.891 114.5 42.8 -54.6 -50.2 30.7 1.1 5.8 111 111 A V H >< S+ 0 0 0 -4,-1.9 3,-2.8 1,-0.2 -1,-0.2 0.911 105.0 63.9 -69.4 -37.4 29.3 -2.2 4.5 112 112 A A H 3< S+ 0 0 20 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.762 94.7 64.7 -58.7 -21.3 25.8 -0.9 4.3 113 113 A G T << S+ 0 0 54 -4,-1.1 2,-1.2 -3,-0.6 3,-0.3 0.513 75.2 86.0 -78.2 -6.2 27.1 1.6 1.8 114 114 A F <> + 0 0 41 -3,-2.8 4,-1.9 1,-0.2 3,-0.5 -0.221 57.1 158.2 -88.0 55.4 27.9 -1.1 -0.7 115 115 A T H > + 0 0 89 -2,-1.2 4,-1.8 1,-0.3 -1,-0.2 0.833 64.8 46.2 -40.7 -57.6 24.3 -0.8 -1.9 116 116 A N H > S+ 0 0 87 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.856 113.2 46.8 -63.5 -43.7 24.7 -2.3 -5.4 117 117 A S H > S+ 0 0 2 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.811 109.7 55.0 -65.7 -37.4 26.8 -5.3 -4.4 118 118 A L H X S+ 0 0 12 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.898 107.6 51.0 -58.4 -44.5 24.4 -6.1 -1.5 119 119 A R H X S+ 0 0 114 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.935 111.2 47.4 -59.1 -49.3 21.6 -6.2 -4.1 120 120 A M H <>S+ 0 0 26 -4,-2.1 5,-2.5 1,-0.2 4,-0.3 0.883 110.0 52.0 -63.9 -38.5 23.5 -8.6 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.915 108.5 51.8 -65.9 -42.0 24.4 -10.8 -3.3 122 122 A Q H 3<5S+ 0 0 90 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.886 109.4 49.6 -62.4 -33.0 20.7 -11.0 -2.4 123 123 A Q T 3<5S- 0 0 99 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.450 113.3-121.2 -80.2 -3.7 19.9 -12.0 -5.9 124 124 A K T < 5 + 0 0 98 -3,-1.6 2,-1.1 -4,-0.3 -3,-0.2 0.797 61.8 147.5 63.6 37.0 22.5 -14.6 -5.8 125 125 A R >< + 0 0 126 -5,-2.5 4,-2.7 1,-0.2 5,-0.2 -0.719 19.0 173.0-102.2 76.9 24.4 -13.2 -8.8 126 126 A W H > + 0 0 49 -2,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.866 69.6 45.1 -55.9 -48.2 27.8 -14.3 -7.5 127 127 A D H > S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.914 114.7 49.2 -69.6 -40.3 30.0 -13.4 -10.4 128 128 A E H > S+ 0 0 96 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.897 111.5 48.3 -66.4 -42.6 28.5 -10.0 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.860 107.5 55.1 -65.9 -36.1 28.7 -9.1 -7.3 130 130 A A H X S+ 0 0 9 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.905 109.1 48.5 -61.0 -43.1 32.4 -10.2 -7.1 131 131 A V H >X S+ 0 0 92 -4,-1.9 3,-0.6 1,-0.2 4,-0.5 0.954 113.7 47.2 -59.7 -47.8 33.2 -7.9 -10.0 132 132 A N H >< S+ 0 0 46 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.845 107.3 54.9 -62.6 -41.1 31.3 -4.9 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.4 6,-0.3 1,-0.2 -1,-0.2 0.792 101.3 61.2 -62.3 -30.4 32.9 -5.4 -4.8 134 134 A A H << S+ 0 0 25 -4,-0.9 2,-1.5 -3,-0.6 -1,-0.2 0.676 86.0 77.7 -75.5 -16.6 36.4 -5.1 -6.4 135 135 A K S << S+ 0 0 144 -3,-0.8 2,-0.3 -4,-0.5 -1,-0.2 -0.496 82.1 94.4 -89.8 67.2 35.6 -1.6 -7.6 136 136 A S S > S- 0 0 19 -2,-1.5 4,-2.0 1,-0.1 3,-0.2 -0.980 85.7-113.1-153.7 157.5 36.2 -0.1 -4.2 137 137 A R H > S+ 0 0 138 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.908 115.8 64.1 -53.7 -47.1 38.7 1.6 -2.0 138 138 A W H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 8,-0.2 0.867 105.8 41.3 -44.5 -50.2 38.6 -1.5 0.2 139 139 A Y H 4 S+ 0 0 60 -6,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.901 115.5 49.3 -73.2 -42.2 39.9 -3.7 -2.6 140 140 A N H < S+ 0 0 112 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.852 115.8 43.6 -63.3 -35.9 42.5 -1.2 -3.8 141 141 A Q H < S+ 0 0 97 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.836 132.4 17.2 -80.0 -39.8 43.8 -0.6 -0.2 142 142 A T S X S+ 0 0 23 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 -0.555 73.6 163.7-134.6 69.6 43.9 -4.3 1.0 143 143 A P H > + 0 0 53 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.800 69.6 51.2 -60.6 -37.6 43.8 -6.4 -2.2 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.934 116.4 40.9 -67.8 -46.5 44.9 -9.8 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.913 115.3 51.3 -58.6 -51.8 42.4 -9.8 2.0 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 -8,-0.2 5,-0.2 0.920 109.8 52.2 -56.0 -40.7 39.6 -8.3 -0.2 147 147 A K H X S+ 0 0 86 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.873 106.1 51.3 -70.5 -28.6 40.3 -11.0 -2.8 148 148 A R H X S+ 0 0 49 -4,-1.3 4,-1.7 2,-0.2 12,-0.2 0.924 114.0 45.1 -67.2 -45.5 40.0 -13.8 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.931 112.7 51.3 -66.5 -42.7 36.6 -12.4 0.9 150 150 A I H X S+ 0 0 10 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.884 107.3 51.4 -62.5 -42.8 35.5 -11.9 -2.6 151 151 A T H X S+ 0 0 34 -4,-2.0 4,-2.8 -5,-0.2 5,-0.4 0.880 107.5 56.1 -59.6 -40.1 36.4 -15.5 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.894 110.3 42.5 -59.4 -41.2 34.4 -16.7 -0.6 153 153 A F H < S+ 0 0 2 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.831 115.6 51.7 -73.2 -36.0 31.3 -14.8 -1.9 154 154 A R H < S+ 0 0 86 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.925 124.6 22.1 -63.1 -48.6 31.9 -16.0 -5.4 155 155 A T H < S- 0 0 42 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.730 83.1-136.6 -95.7 -31.9 32.3 -19.7 -4.5 156 156 A G S < S+ 0 0 9 -4,-2.2 2,-0.3 -5,-0.4 -62,-0.2 0.666 74.5 99.4 76.2 13.3 30.5 -20.3 -1.3 157 157 A H S S- 0 0 114 -6,-0.3 3,-0.4 -5,-0.1 -1,-0.3 -0.840 79.5-116.7-127.9 171.9 33.5 -22.5 -0.3 158 158 A W S > S+ 0 0 37 -2,-0.3 3,-1.5 1,-0.2 4,-0.4 0.186 71.5 117.4 -97.7 18.0 36.7 -22.0 1.9 159 159 A D T >> + 0 0 83 1,-0.2 4,-0.8 2,-0.2 3,-0.7 0.678 65.9 62.4 -57.8 -32.0 39.3 -22.4 -0.7 160 160 A A H 3> S+ 0 0 16 -3,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.745 110.0 46.0 -65.3 -21.9 40.8 -18.9 -0.5 161 161 A Y H <4 S+ 0 0 4 -3,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.432 96.7 72.6-101.5 -5.6 41.6 -19.8 3.1 162 162 A K H <4 S+ 0 0 134 -3,-0.7 -2,-0.2 -4,-0.4 -1,-0.2 0.761 96.4 51.4 -73.8 -45.1 43.1 -23.3 2.4 163 163 A N H < 0 0 122 -4,-0.8 -2,-0.2 1,-0.2 -3,-0.1 0.996 360.0 360.0 -49.6 -66.0 46.1 -21.9 1.0 164 164 A L < 0 0 108 -4,-0.7 -1,-0.2 0, 0.0 -2,-0.1 0.010 360.0 360.0 -60.6 360.0 46.6 -19.7 4.1