==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-OCT-97 230L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR L.A.LIPSCOMB,N.C.GASSNER,S.SNOW,A.M.ELDRIDGE,D.L.DREW, . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.0 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 . 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 . 7 4.3 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 . 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 1 0 0 3 0 0 1 1 0 0 0 0 0 1 0 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 71 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 167.9 42.9 -2.2 9.3 2 2 A N > - 0 0 72 1,-0.1 4,-2.5 95,-0.0 3,-0.3 -0.896 360.0 -93.5-143.0 174.0 40.1 -0.7 11.1 3 3 A I H > S+ 0 0 23 -2,-0.3 4,-3.4 1,-0.3 5,-0.3 0.822 121.2 57.0 -54.9 -36.6 38.1 2.6 11.3 4 4 A F H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.941 110.5 42.2 -61.0 -50.7 40.2 3.7 14.2 5 5 A E H > S+ 0 0 89 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.893 114.0 53.6 -63.5 -41.9 43.4 3.4 12.2 6 6 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.944 113.0 41.1 -60.5 -50.8 41.7 4.9 9.2 7 7 A L H X S+ 0 0 0 -4,-3.4 4,-2.9 1,-0.2 5,-0.4 0.863 109.6 58.3 -67.2 -31.9 40.6 8.0 11.0 8 8 A R H X S+ 0 0 118 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.921 110.1 46.0 -61.6 -36.5 43.8 8.3 12.9 9 9 A I H < S+ 0 0 63 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.935 116.4 43.9 -67.7 -46.4 45.5 8.5 9.6 10 10 A D H < S+ 0 0 22 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.817 125.6 30.3 -69.5 -31.3 43.0 11.0 8.1 11 11 A E H < S- 0 0 48 -4,-2.9 19,-0.3 1,-0.2 -1,-0.2 0.679 90.0-150.9-103.6 -22.2 42.8 13.3 11.1 12 12 A G < - 0 0 24 -4,-1.9 2,-0.3 -5,-0.4 -1,-0.2 -0.227 26.1 -89.4 75.4-168.5 46.1 13.1 12.8 13 13 A L + 0 0 53 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.925 41.0 175.8-145.6 114.1 46.5 13.6 16.6 14 14 A R E -A 28 0A 145 14,-2.1 14,-2.7 -2,-0.3 4,-0.1 -0.994 16.4-163.3-124.6 128.8 47.0 17.0 18.2 15 15 A L E S+ 0 0 61 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.513 75.1 58.9 -87.0 -7.7 47.2 17.5 22.1 16 16 A K E S-C 57 0B 101 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.869 103.3 -83.6-119.2 153.3 46.7 21.2 22.0 17 17 A I E + 0 0 11 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.287 58.2 168.1 -54.6 135.3 43.7 23.1 20.6 18 18 A Y E -A 26 0A 23 8,-3.3 8,-3.6 -4,-0.1 2,-0.4 -0.895 36.3-104.2-142.3 171.6 44.1 23.8 16.8 19 19 A K E -A 25 0A 119 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.822 34.0-138.5 -99.9 136.5 42.1 24.9 13.8 20 20 A D > - 0 0 48 4,-2.2 3,-2.7 -2,-0.4 -1,-0.1 -0.151 43.5 -75.8 -79.6-176.2 40.8 22.4 11.4 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.757 136.8 48.2 -51.4 -29.9 40.8 22.7 7.5 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.383 122.4-105.3 -93.1 2.9 37.7 25.0 7.9 23 23 A G S < S+ 0 0 37 -3,-2.7 2,-0.4 1,-0.3 -2,-0.1 0.642 73.9 141.6 79.3 19.8 39.4 27.2 10.6 24 24 A Y - 0 0 78 1,-0.1 -4,-2.2 9,-0.0 -1,-0.3 -0.829 60.2 -99.9 -98.3 139.7 37.2 25.6 13.6 25 25 A Y E +AB 19 34A 35 9,-0.6 8,-2.9 11,-0.4 9,-1.4 -0.276 55.4 161.1 -57.0 124.7 38.7 24.9 17.0 26 26 A T E -AB 18 32A 3 -8,-3.6 -8,-3.3 6,-0.3 2,-0.3 -0.899 19.0-172.7-142.4 166.6 39.5 21.2 17.4 27 27 A I E > + B 0 31A 0 4,-1.5 4,-1.9 -2,-0.3 2,-0.3 -0.985 52.4 7.4-155.4 160.6 41.6 18.9 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.7 -14,-2.1 -2,-0.3 2,-0.9 -0.473 121.7 -9.0 75.9-139.9 42.7 15.4 19.6 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -2,-0.3 -17,-0.1 -0.674 128.4 -50.7-101.1 71.4 41.8 13.1 16.7 30 30 A G T 4 S+ 0 0 16 -2,-0.9 2,-1.1 -19,-0.3 -2,-0.2 0.722 85.4 161.1 70.9 25.1 39.5 15.5 14.8 31 31 A H E < -B 27 0A 32 -4,-1.9 -4,-1.5 1,-0.0 2,-0.3 -0.621 31.2-146.6 -82.9 99.8 37.4 16.3 17.9 32 32 A L E -B 26 0A 78 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.445 20.1-179.9 -66.9 129.2 35.6 19.5 16.9 33 33 A L E - 0 0 15 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.906 59.5 -14.4 -93.2 -48.2 35.1 21.8 19.9 34 34 A T E -B 25 0A 28 -9,-1.4 -9,-0.6 2,-0.1 -1,-0.4 -0.985 34.2-144.6-160.9 152.6 33.3 24.7 18.4 35 35 A K S S+ 0 0 147 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.275 74.7 110.6 -95.8 1.6 32.3 26.6 15.2 36 36 A S S S- 0 0 40 2,-0.1 -11,-0.4 1,-0.1 -2,-0.1 -0.609 75.1-131.7 -88.5 143.8 32.8 29.8 17.1 37 37 A P S S+ 0 0 125 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.423 77.8 103.0 -69.4 -3.1 35.6 32.2 16.5 38 38 A S > - 0 0 50 1,-0.2 4,-2.4 -13,-0.0 -2,-0.1 -0.778 55.1-163.5 -96.2 116.5 36.4 32.4 20.2 39 39 A L H > S+ 0 0 63 -2,-0.6 4,-2.6 2,-0.2 5,-0.3 0.881 96.0 56.0 -60.2 -37.1 39.2 30.6 21.7 40 40 A N H > S+ 0 0 123 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.974 105.9 48.7 -61.3 -53.3 37.6 31.1 25.1 41 41 A A H > S+ 0 0 35 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 112.7 50.3 -52.8 -40.7 34.4 29.4 24.0 42 42 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.871 110.1 49.1 -63.8 -40.0 36.7 26.6 22.6 43 43 A K H X S+ 0 0 56 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.898 111.0 51.3 -67.0 -39.1 38.5 26.3 26.0 44 44 A S H X S+ 0 0 73 -4,-3.2 4,-2.0 -5,-0.3 -2,-0.2 0.914 110.1 46.6 -67.1 -37.8 35.3 26.2 27.8 45 45 A E H X S+ 0 0 66 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.892 110.3 56.6 -70.5 -34.1 33.9 23.4 25.6 46 46 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 5,-0.3 0.948 108.4 44.9 -57.3 -52.5 37.2 21.6 26.1 47 47 A D H X>S+ 0 0 36 -4,-2.4 4,-2.5 1,-0.2 5,-1.3 0.910 113.0 51.8 -58.4 -44.7 36.9 21.6 29.9 48 48 A K H <5S+ 0 0 144 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.889 111.1 47.7 -62.2 -38.9 33.3 20.6 29.7 49 49 A A H <5S+ 0 0 43 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.861 120.7 35.0 -70.6 -36.6 34.2 17.7 27.4 50 50 A I H <5S- 0 0 35 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.666 102.2-125.6 -88.3 -28.8 37.1 16.4 29.6 51 51 A G T <5S+ 0 0 66 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.827 76.8 78.9 83.1 31.5 35.7 17.2 33.0 52 52 A R S - 0 0 11 -2,-1.0 3,-0.9 -11,-0.2 -1,-0.2 0.757 34.8-143.0 -97.0 -28.5 42.6 21.9 31.0 55 55 A N T 3 S- 0 0 120 1,-0.2 -2,-0.1 -3,-0.1 3,-0.1 0.957 73.3 -56.2 59.3 51.0 43.8 25.2 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.1 -39,-1.7 1,-0.1 2,-0.4 0.468 116.8 100.3 61.2 7.8 43.7 24.0 26.0 57 57 A V B < +C 16 0B 76 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.977 45.1 178.5-126.6 136.4 46.0 21.0 26.5 58 58 A I - 0 0 5 -43,-2.6 2,-0.2 -2,-0.4 -30,-0.1 -0.794 24.9-114.3-127.6 170.3 45.0 17.3 26.9 59 59 A T > - 0 0 65 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.581 31.8-105.3-102.2 170.6 46.7 14.0 27.3 60 60 A K H > S+ 0 0 118 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.884 120.4 52.1 -60.7 -41.9 46.9 11.1 25.0 61 61 A D H > S+ 0 0 115 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.919 109.4 48.6 -64.8 -38.8 44.5 9.1 27.0 62 62 A E H > S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.876 110.4 52.9 -65.3 -35.5 42.0 11.9 27.1 63 63 A A H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -34,-0.4 0.933 109.2 49.6 -62.1 -43.3 42.4 12.3 23.3 64 64 A E H X S+ 0 0 78 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.797 108.3 53.3 -65.2 -32.6 41.7 8.5 22.9 65 65 A K H X S+ 0 0 149 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.945 108.5 46.8 -73.7 -41.6 38.7 8.7 25.0 66 66 A L H X S+ 0 0 7 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.917 111.8 55.9 -60.0 -42.1 37.1 11.5 23.0 67 67 A F H X S+ 0 0 6 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.935 106.4 47.4 -54.0 -53.5 38.0 9.4 19.9 68 68 A N H X S+ 0 0 77 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.906 113.5 48.9 -57.1 -41.8 36.2 6.3 21.1 69 69 A Q H X S+ 0 0 98 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.892 111.0 49.4 -67.0 -41.5 33.2 8.4 21.9 70 70 A D H X S+ 0 0 35 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.858 110.8 49.6 -66.6 -36.3 33.2 10.1 18.6 71 71 A V H X S+ 0 0 8 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.951 111.9 49.4 -65.7 -48.2 33.5 6.9 16.7 72 72 A D H X S+ 0 0 96 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.919 109.0 50.5 -56.4 -46.1 30.7 5.5 18.6 73 73 A A H X S+ 0 0 62 -4,-2.2 4,-3.2 2,-0.2 -1,-0.2 0.907 108.8 54.0 -60.3 -38.8 28.4 8.5 18.1 74 74 A A H X S+ 0 0 9 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.969 109.6 46.1 -58.3 -53.4 29.1 8.3 14.3 75 75 A V H X S+ 0 0 32 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.910 113.9 50.5 -55.1 -42.8 28.1 4.7 14.1 76 76 A R H X S+ 0 0 150 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.909 105.9 53.4 -66.3 -40.5 25.1 5.5 16.1 77 77 A G H X S+ 0 0 2 -4,-3.2 4,-1.1 2,-0.2 -1,-0.2 0.939 109.5 50.5 -58.7 -43.6 24.1 8.4 13.9 78 78 A I H >< S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.2 7,-0.5 0.988 110.5 47.3 -55.2 -61.1 24.2 6.0 11.0 79 79 A L H 3< S+ 0 0 64 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.766 114.3 48.4 -56.7 -27.2 22.0 3.4 12.5 80 80 A R H 3< S+ 0 0 161 -4,-2.0 2,-0.5 -5,-0.2 -1,-0.3 0.617 92.5 92.6 -91.1 -10.0 19.6 6.0 13.6 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.5 -7,-0.2 3,-0.4 0.853 101.5 63.0 -81.3 -43.0 22.0 6.1 6.1 85 85 A K H X S+ 0 0 87 -4,-3.1 4,-3.0 -7,-0.5 5,-0.2 0.907 100.0 50.7 -53.8 -49.9 21.1 2.9 7.8 86 86 A P H > S+ 0 0 56 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.856 113.2 49.3 -62.4 -27.3 19.9 0.9 4.8 87 87 A V H >> S+ 0 0 3 -3,-0.4 4,-1.2 -4,-0.4 3,-0.5 0.969 111.2 46.4 -73.8 -51.8 23.1 1.9 3.0 88 88 A Y H >< S+ 0 0 33 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.932 111.0 53.4 -55.1 -44.2 25.4 0.9 5.7 89 89 A D H 3< S+ 0 0 73 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.842 106.6 53.9 -63.1 -29.4 23.6 -2.4 6.2 90 90 A S H << S+ 0 0 39 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.694 96.3 88.0 -77.5 -22.4 23.9 -3.2 2.5 91 91 A L S << S- 0 0 5 -4,-1.2 2,-0.1 -3,-0.8 31,-0.0 -0.379 77.0-115.3 -80.3 162.9 27.7 -2.7 2.5 92 92 A D > - 0 0 52 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.343 42.4 -93.6 -82.5 169.8 30.5 -5.0 3.2 93 93 A A H > S+ 0 0 79 1,-0.2 4,-1.3 2,-0.2 -2,-0.1 0.879 122.1 49.5 -56.3 -46.8 32.8 -4.5 6.2 94 94 A V H > S+ 0 0 27 1,-0.2 4,-1.2 2,-0.2 3,-0.4 0.942 113.2 45.3 -59.5 -50.7 35.5 -2.5 4.3 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.832 103.9 63.2 -66.0 -31.6 33.0 -0.1 2.7 96 96 A R H X S+ 0 0 77 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.904 100.2 55.1 -57.9 -37.7 31.1 0.4 6.0 97 97 A A H X S+ 0 0 9 -4,-1.3 4,-2.4 -3,-0.4 -1,-0.2 0.906 103.4 55.0 -63.6 -35.2 34.3 1.9 7.4 98 98 A A H X S+ 0 0 3 -4,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.890 107.6 49.0 -63.4 -38.1 34.4 4.3 4.5 99 99 A L H X S+ 0 0 1 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.890 108.9 52.5 -68.4 -37.8 30.9 5.5 5.3 100 100 A I H X S+ 0 0 10 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.954 105.7 56.3 -60.8 -47.7 31.8 6.0 9.0 101 101 A N H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.3 5,-0.2 0.921 108.5 45.7 -50.9 -50.2 34.8 8.1 7.9 102 102 A M H X S+ 0 0 4 -4,-1.9 4,-3.4 1,-0.2 5,-0.5 0.934 111.9 51.0 -65.4 -39.4 32.6 10.5 6.0 103 103 A V H X S+ 0 0 9 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.935 109.8 50.5 -64.4 -37.1 30.0 10.7 8.8 104 104 A F H < S+ 0 0 32 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.934 115.8 43.6 -64.2 -37.7 32.7 11.5 11.3 105 105 A Q H < S+ 0 0 57 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.915 132.1 14.6 -73.9 -46.4 34.1 14.2 9.0 106 106 A M H X S- 0 0 55 -4,-3.4 4,-0.6 -5,-0.2 -3,-0.2 0.550 102.3-110.1-116.7 -1.3 30.9 15.8 8.0 107 107 A G H X - 0 0 30 -4,-2.7 4,-2.2 -5,-0.5 5,-0.2 -0.016 32.9 -83.5 92.3 151.1 28.1 14.8 10.1 108 108 A E H > S+ 0 0 34 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.798 126.5 51.2 -64.5 -39.4 25.1 12.7 9.6 109 109 A T H 4 S+ 0 0 120 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.947 110.3 48.9 -68.0 -45.1 23.1 15.4 8.0 110 110 A G H >< S+ 0 0 33 -4,-0.6 3,-1.3 1,-0.2 -2,-0.2 0.926 114.8 44.1 -58.1 -51.5 25.9 16.3 5.5 111 111 A V H >< S+ 0 0 0 -4,-2.2 3,-2.0 1,-0.3 -1,-0.2 0.849 105.2 61.1 -62.9 -41.0 26.4 12.7 4.4 112 112 A A T 3< S+ 0 0 20 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.654 94.5 67.6 -63.7 -10.9 22.7 12.0 4.2 113 113 A G T < S+ 0 0 57 -3,-1.3 2,-0.9 -4,-0.5 3,-0.3 0.492 75.8 84.4 -84.5 -6.7 22.6 14.9 1.5 114 114 A F <> + 0 0 38 -3,-2.0 4,-2.6 1,-0.2 5,-0.2 -0.339 56.0 153.8 -89.9 49.0 24.7 12.7 -0.9 115 115 A T H > + 0 0 76 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.845 66.5 46.9 -46.0 -49.6 21.4 11.0 -2.1 116 116 A N H > S+ 0 0 83 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.922 113.8 46.4 -63.3 -48.5 22.6 10.1 -5.5 117 117 A S H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.879 111.3 53.7 -60.7 -42.8 25.8 8.6 -4.3 118 118 A L H X S+ 0 0 13 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.905 107.2 50.5 -57.3 -45.7 24.1 6.7 -1.6 119 119 A R H X S+ 0 0 102 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.930 111.5 49.0 -61.1 -40.1 21.7 5.2 -4.1 120 120 A M H X>S+ 0 0 29 -4,-2.0 5,-2.2 2,-0.2 4,-0.7 0.893 110.0 49.6 -67.3 -39.4 24.6 4.2 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.927 108.7 53.7 -65.8 -40.1 26.4 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 95 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.907 109.7 48.3 -57.6 -37.6 23.3 0.8 -2.4 123 123 A Q H 3<5S- 0 0 102 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.540 112.5-121.7 -78.2 -9.9 23.2 -0.6 -6.0 124 124 A K T <<5 + 0 0 97 -3,-1.2 2,-1.3 -4,-0.7 -3,-0.2 0.732 62.1 146.9 71.4 31.0 26.8 -1.6 -5.8 125 125 A R >< + 0 0 117 -5,-2.2 4,-2.5 1,-0.2 5,-0.2 -0.650 19.5 174.2 -97.3 74.5 27.8 0.6 -8.8 126 126 A W H > S+ 0 0 49 -2,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.843 70.5 47.7 -50.4 -51.7 31.2 1.4 -7.5 127 127 A D H > S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.941 114.2 46.4 -63.4 -42.8 32.6 3.2 -10.4 128 128 A E H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.905 112.1 50.5 -65.3 -40.8 29.6 5.4 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.937 107.1 55.8 -60.7 -45.3 29.4 6.2 -7.1 130 130 A A H X S+ 0 0 9 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.893 109.4 45.5 -56.1 -39.2 33.0 7.2 -7.1 131 131 A V H X S+ 0 0 89 -4,-1.7 4,-0.7 -5,-0.2 -1,-0.2 0.929 114.2 47.3 -72.3 -41.5 32.4 9.7 -9.9 132 132 A N H >< S+ 0 0 38 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.893 109.8 54.1 -64.0 -41.6 29.3 11.2 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.4 6,-0.4 1,-0.2 -1,-0.2 0.881 102.7 58.3 -60.2 -38.4 31.1 11.4 -4.9 134 134 A A H 3< S+ 0 0 27 -4,-1.6 2,-1.8 -5,-0.3 -1,-0.2 0.716 87.7 78.8 -67.2 -20.0 33.9 13.4 -6.5 135 135 A K S << S+ 0 0 157 -3,-0.8 2,-0.3 -4,-0.7 -1,-0.2 -0.453 81.3 96.7 -86.7 69.5 31.5 16.1 -7.7 136 136 A S S > S- 0 0 16 -2,-1.8 4,-2.1 1,-0.1 5,-0.2 -0.990 85.0-116.5-153.6 157.5 31.2 17.7 -4.3 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.895 115.0 62.9 -60.6 -37.7 32.6 20.5 -2.3 138 138 A W H > S+ 0 0 15 1,-0.2 4,-3.3 2,-0.2 8,-0.2 0.921 106.3 43.7 -46.3 -54.4 34.0 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 0.931 114.8 47.9 -62.8 -46.9 36.2 16.5 -2.7 140 140 A N H < S+ 0 0 110 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.824 117.7 42.7 -67.6 -29.0 37.3 19.9 -3.9 141 141 A Q H < S+ 0 0 103 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.889 131.3 19.9 -83.3 -43.6 38.1 21.0 -0.3 142 142 A T S X S+ 0 0 22 -4,-3.3 4,-2.8 -5,-0.2 -1,-0.2 -0.600 72.5 160.2-129.4 71.9 39.8 17.9 0.9 143 143 A P H > S+ 0 0 46 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.829 70.4 51.8 -59.5 -46.0 40.9 16.0 -2.2 144 144 A N H > S+ 0 0 116 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.926 117.7 39.1 -61.5 -45.7 43.6 13.8 -0.7 145 145 A R H > S+ 0 0 21 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.936 115.2 51.4 -67.6 -50.9 41.4 12.5 2.0 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.883 107.8 53.9 -54.3 -41.1 38.3 12.3 -0.3 147 147 A K H X S+ 0 0 92 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.892 106.7 51.8 -60.5 -43.5 40.3 10.3 -2.8 148 148 A R H X S+ 0 0 53 -4,-1.4 4,-1.3 -3,-0.3 12,-0.2 0.910 113.6 43.9 -60.3 -42.6 41.3 7.8 -0.1 149 149 A V H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.918 114.5 49.5 -65.8 -47.7 37.7 7.3 0.9 150 150 A I H X S+ 0 0 12 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.909 109.6 51.3 -58.5 -44.9 36.4 7.1 -2.7 151 151 A T H X S+ 0 0 34 -4,-2.8 4,-3.0 1,-0.3 6,-0.3 0.853 107.5 54.7 -62.1 -33.3 39.1 4.5 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -1,-0.3 0.888 110.2 44.2 -67.8 -42.2 37.9 2.6 -0.6 153 153 A F H < S+ 0 0 2 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.881 116.0 49.1 -67.6 -38.8 34.4 2.6 -1.9 154 154 A R H < S+ 0 0 98 -4,-2.8 -2,-0.2 1,-0.1 -3,-0.2 0.939 124.1 26.4 -65.8 -47.6 35.6 1.8 -5.4 155 155 A T H < S- 0 0 50 -4,-3.0 -3,-0.2 2,-0.2 -2,-0.2 0.690 87.1-135.4 -92.8 -25.2 37.8 -1.1 -4.5 156 156 A G S < S+ 0 0 17 -4,-2.4 2,-0.3 1,-0.3 -62,-0.2 0.732 74.8 97.5 72.8 20.4 36.5 -2.6 -1.3 157 157 A T S S- 0 0 44 -6,-0.3 -1,-0.3 -5,-0.2 3,-0.3 -0.842 80.5-122.3-130.7 173.5 40.1 -2.8 0.0 158 158 A W S >> S+ 0 0 46 -2,-0.3 3,-2.9 1,-0.2 4,-0.8 0.174 71.8 121.9 -98.6 7.2 42.3 -0.6 2.3 159 159 A D G >4 + 0 0 94 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.820 63.1 62.5 -41.9 -41.3 44.9 -0.2 -0.3 160 160 A A G 34 S+ 0 0 21 -3,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.618 113.4 38.0 -61.3 -15.4 44.7 3.6 -0.4 161 161 A Y G <4 S+ 0 0 4 -3,-2.9 -1,-0.3 2,-0.1 -2,-0.2 0.474 93.1 89.4-111.6 -8.9 45.8 3.6 3.2 162 162 A K S << S+ 0 0 139 -3,-1.0 -2,-0.1 -4,-0.8 -3,-0.1 0.492 92.8 40.1 -72.1 -8.5 48.3 0.7 3.0 163 163 A N 0 0 121 -4,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.701 360.0 360.0-108.3 -28.7 51.3 2.8 2.1 164 164 A L 0 0 112 -4,-0.1 -2,-0.2 0, 0.0 -3,-0.1 0.993 360.0 360.0 -58.8 360.0 50.5 5.7 4.5