==== 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 (O-GLYCOSYL) 11-MAY-99 261L . COMPND 2 MOLECULE: PROTEIN (LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.SAGERMANN,W.A.BAASE,B.W.MATTHEWS . 173 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9374.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 75.7 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 . 13 7.5 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 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 53.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 0 3 0 0 0 1 0 0 0 0 1 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 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 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 82 0, 0.0 2,-0.3 0, 0.0 168,-0.0 0.000 360.0 360.0 360.0 149.8 20.2 38.6 6.9 2 2 A N > - 0 0 65 167,-0.0 4,-3.4 106,-0.0 5,-0.2 -0.898 360.0 -75.1-155.2-179.3 19.7 35.1 5.4 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.880 125.1 49.4 -53.2 -44.9 21.3 31.8 4.8 4 4 A F H > S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.956 114.7 42.1 -61.5 -55.8 23.4 33.0 2.0 5 5 A E H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.944 113.9 55.5 -59.1 -42.8 24.8 36.0 3.8 6 6 A M H X S+ 0 0 0 -4,-3.4 4,-2.0 1,-0.2 3,-0.4 0.966 113.7 36.5 -52.0 -60.9 25.2 33.9 6.9 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.4 0.765 108.4 67.2 -65.8 -26.2 27.3 31.2 5.4 8 8 A R H X S+ 0 0 97 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.956 107.1 41.0 -59.0 -43.8 29.0 33.8 3.3 9 9 A I H < S+ 0 0 89 -4,-2.1 -2,-0.2 -3,-0.4 -1,-0.2 0.910 117.7 45.0 -68.1 -48.6 30.5 35.1 6.5 10 10 A D H < S+ 0 0 21 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.816 122.0 36.2 -67.7 -33.8 31.3 31.9 8.1 11 11 A E H < S- 0 0 40 -4,-2.7 19,-0.4 -5,-0.2 -1,-0.2 0.641 94.0-153.0 -96.3 -19.3 32.8 30.3 5.1 12 12 A G < - 0 0 24 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.1 -0.134 19.4 -88.1 73.4-177.7 34.6 33.2 3.5 13 13 A L + 0 0 42 16,-0.1 2,-0.3 -4,-0.1 16,-0.2 -0.999 41.7 167.1-137.6 133.0 35.4 33.6 -0.2 14 14 A R E -A 28 0A 126 14,-0.6 14,-2.4 -2,-0.4 4,-0.1 -0.961 23.6-165.0-150.7 129.7 38.4 32.4 -2.2 15 15 A L E S+ 0 0 65 -2,-0.3 54,-2.4 12,-0.2 2,-0.4 0.471 76.5 67.1 -90.6 -2.3 39.0 32.2 -5.9 16 16 A K E S-C 68 0B 92 52,-0.2 52,-0.2 12,-0.1 10,-0.1 -0.953 98.1 -94.9-124.6 137.6 42.1 30.0 -5.5 17 17 A I E + 0 0 19 50,-1.6 10,-0.2 -2,-0.4 2,-0.2 -0.281 56.7 163.7 -51.0 119.0 42.1 26.5 -4.3 18 18 A Y E -A 26 0A 43 8,-2.9 8,-3.8 -4,-0.1 2,-0.5 -0.687 32.7-109.4-126.8-176.5 43.0 26.5 -0.6 19 19 A K E -A 25 0A 95 6,-0.2 6,-0.2 -2,-0.2 4,-0.1 -0.930 23.2-128.7-130.6 135.9 42.7 24.1 2.1 20 20 A D > - 0 0 35 4,-2.4 3,-2.5 -2,-0.5 4,-0.4 -0.138 33.1-100.2 -71.1 166.4 40.4 24.0 5.0 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.716 122.8 58.2 -54.2 -25.0 41.2 23.5 8.7 22 22 A E T 3 S- 0 0 70 2,-0.1 -1,-0.3 0, 0.0 14,-0.2 0.094 123.3-102.4 -96.8 23.1 40.2 19.9 8.3 23 23 A G S < S+ 0 0 22 -3,-2.5 13,-2.4 1,-0.2 2,-0.4 0.882 75.9 137.0 60.1 47.1 42.8 19.3 5.6 24 24 A Y E - B 0 35A 74 -4,-0.4 -4,-2.4 11,-0.2 2,-0.6 -0.937 57.8-119.1-121.8 143.3 40.5 19.3 2.6 25 25 A Y E +AB 19 34A 28 9,-3.2 8,-2.3 -2,-0.4 9,-0.8 -0.675 49.7 162.5 -80.4 123.4 41.2 21.0 -0.6 26 26 A T E -AB 18 32A 1 -8,-3.8 -8,-2.9 -2,-0.6 2,-0.3 -0.883 21.3-170.6-140.6 176.5 38.5 23.6 -1.1 27 27 A I E > + B 0 31A 0 4,-1.3 4,-3.1 -2,-0.3 -12,-0.2 -0.961 50.7 8.2-158.4 168.0 37.4 26.7 -3.0 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 2,-1.1 -2,-0.3 -14,-0.6 -0.296 124.1 -6.8 59.2-129.2 34.9 29.6 -3.4 29 29 A I T 4 S- 0 0 2 45,-0.3 -1,-0.2 -16,-0.2 -17,-0.1 -0.670 130.2 -51.6-100.1 74.4 32.5 29.6 -0.5 30 30 A G T 4 S+ 0 0 8 -2,-1.1 2,-1.0 -19,-0.4 -2,-0.2 0.798 82.4 168.7 66.9 31.8 33.5 26.5 1.3 31 31 A H E < -B 27 0A 28 -4,-3.1 -4,-1.3 1,-0.0 -1,-0.2 -0.610 28.0-138.0 -83.4 107.1 33.2 24.3 -1.7 32 32 A L E +B 26 0A 86 -2,-1.0 -6,-0.2 -6,-0.2 3,-0.1 -0.354 32.4 162.2 -66.1 139.2 34.8 20.9 -1.0 33 33 A L E - 0 0 16 -8,-2.3 2,-0.3 1,-0.3 -7,-0.2 0.750 55.5 -16.1-116.4 -70.0 36.9 19.3 -3.6 34 34 A T E -B 25 0A 43 -9,-0.8 -9,-3.2 22,-0.0 -1,-0.3 -0.997 63.2 -98.0-148.6 152.4 39.2 16.4 -2.2 35 35 A K E -B 24 0A 149 -2,-0.3 -11,-0.2 -11,-0.2 -12,-0.1 -0.493 47.4-128.8 -67.5 128.8 40.6 15.0 1.0 36 36 A S - 0 0 24 -13,-2.4 2,-0.2 -2,-0.2 -1,-0.1 -0.375 18.1-125.7 -77.3 162.3 44.1 16.4 1.4 37 37 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.550 28.8 -91.8-102.6 172.1 47.1 14.2 2.0 38 38 A S > - 0 0 60 -2,-0.2 3,-2.6 1,-0.1 8,-0.2 -0.623 29.8-120.5 -85.9 146.1 49.7 14.3 4.8 39 39 A I T 3 S+ 0 0 137 1,-0.3 -1,-0.1 -2,-0.3 7,-0.1 0.690 106.7 80.3 -55.9 -19.9 52.9 16.2 4.3 40 40 A N T 3 S+ 0 0 144 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.669 81.2 90.0 -65.5 -6.0 54.7 13.1 4.9 41 41 A A < - 0 0 21 -3,-2.6 2,-0.2 3,-0.0 3,-0.0 -0.463 69.1-147.8 -82.6 156.3 53.8 12.5 1.3 42 42 A A > - 0 0 60 -2,-0.1 3,-1.7 4,-0.0 4,-0.5 -0.762 43.8 -63.0-122.7 172.6 56.0 13.7 -1.6 43 43 A K T 3>>S+ 0 0 167 1,-0.3 5,-1.1 -2,-0.2 4,-0.7 0.727 130.9 59.1 -15.8 -78.5 55.5 14.9 -5.2 44 44 A S H 3>5S+ 0 0 94 1,-0.2 4,-1.8 3,-0.2 -1,-0.3 0.770 120.3 30.2 -19.6 -69.5 54.0 11.6 -6.2 45 45 A E H <>5S+ 0 0 82 -3,-1.7 4,-2.6 2,-0.2 5,-0.2 0.991 121.4 44.3 -54.8 -85.8 51.4 12.3 -3.5 46 46 A L H >5S+ 0 0 54 -4,-0.5 4,-2.7 1,-0.3 3,-0.5 0.848 118.5 43.0 -31.0 -70.6 51.0 16.0 -3.2 47 47 A D H X5S+ 0 0 88 -4,-0.7 4,-4.0 1,-0.3 -1,-0.3 0.918 109.9 57.8 -49.1 -45.9 50.9 16.7 -6.9 48 48 A K H XS+ 0 0 34 -4,-2.5 4,-3.7 1,-0.3 5,-1.3 0.945 112.0 50.3 -52.7 -50.1 37.2 21.6 -13.7 59 59 A K H <5S+ 0 0 150 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.893 110.8 49.3 -54.7 -43.9 34.4 19.0 -13.6 60 60 A A H <5S+ 0 0 42 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.880 121.7 32.6 -65.7 -38.4 32.4 21.2 -11.3 61 61 A I H <5S- 0 0 38 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.644 103.3-124.5 -94.0 -24.4 32.7 24.2 -13.4 62 62 A G T <5S+ 0 0 62 -4,-3.7 2,-0.3 -5,-0.3 -3,-0.2 0.901 75.9 71.9 79.7 41.6 32.8 22.6 -16.7 63 63 A R S - 0 0 17 -2,-0.4 3,-0.8 -11,-0.1 -1,-0.2 0.558 46.7-129.8-135.9 -11.1 40.8 26.7 -14.8 66 66 A N T 3 S- 0 0 122 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.947 79.3 -53.0 58.4 46.2 44.2 25.8 -13.3 67 67 A G T 3 S+ 0 0 0 -13,-0.2 -50,-1.6 1,-0.1 2,-0.4 0.641 115.6 104.1 63.1 22.7 42.7 26.1 -9.8 68 68 A V B < +C 16 0B 68 -3,-0.8 2,-0.3 -52,-0.2 -52,-0.2 -0.996 41.8 176.9-136.2 141.6 41.3 29.5 -10.1 69 69 A I - 0 0 7 -54,-2.4 2,-0.2 -2,-0.4 -41,-0.1 -0.844 25.3-107.3-134.9 172.3 37.7 30.8 -10.6 70 70 A T > - 0 0 61 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.498 32.0-111.0 -96.3 164.2 35.6 33.9 -10.8 71 71 A K H > S+ 0 0 123 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.925 119.7 53.5 -59.2 -44.1 33.2 35.4 -8.3 72 72 A D H > S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 109.0 49.9 -58.6 -40.0 30.3 34.5 -10.5 73 73 A E H > S+ 0 0 35 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.914 110.9 47.8 -65.2 -45.4 31.5 31.0 -10.6 74 74 A A H X S+ 0 0 0 -4,-2.6 4,-3.7 1,-0.2 -45,-0.3 0.952 109.9 52.5 -61.7 -47.5 31.9 30.7 -6.9 75 75 A E H X S+ 0 0 92 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.884 108.9 51.9 -56.4 -38.5 28.5 32.2 -6.3 76 76 A K H >X S+ 0 0 141 -4,-1.9 4,-2.1 -5,-0.3 3,-0.5 0.999 110.7 45.1 -61.4 -63.6 27.1 29.6 -8.7 77 77 A L H 3X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.904 111.5 57.9 -40.2 -49.5 28.8 26.7 -6.8 78 78 A F H 3X S+ 0 0 13 -4,-3.7 4,-2.7 1,-0.3 -1,-0.2 0.916 105.1 46.9 -50.0 -53.6 27.6 28.4 -3.6 79 79 A N H X S+ 0 0 39 -4,-2.6 3,-3.3 1,-0.2 4,-2.4 0.927 109.0 52.1 -49.2 -53.6 21.9 20.5 -1.8 85 85 A A H 3X S+ 0 0 11 -4,-2.7 4,-2.0 1,-0.3 -1,-0.2 0.949 107.8 54.6 -51.8 -45.6 22.2 21.0 2.0 86 86 A V H 3X S+ 0 0 38 -4,-3.0 4,-0.7 -5,-0.3 -1,-0.3 0.606 108.8 48.2 -65.5 -6.1 18.6 21.9 1.9 87 87 A R H <> S+ 0 0 124 -3,-3.3 4,-2.4 -4,-0.5 -1,-0.2 0.834 104.6 55.4-100.8 -31.8 17.8 18.7 0.2 88 88 A G H X S+ 0 0 5 -4,-2.4 4,-1.3 2,-0.2 3,-0.3 0.960 106.8 54.4 -54.3 -50.2 19.7 16.4 2.5 89 89 A I H >< S+ 0 0 0 -4,-2.0 3,-0.6 1,-0.3 7,-0.6 0.909 111.8 42.6 -50.1 -51.5 17.8 17.9 5.4 90 90 A L H 3< S+ 0 0 82 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.793 112.9 52.5 -70.2 -29.1 14.5 17.1 3.7 91 91 A R H 3< S+ 0 0 173 -4,-2.4 2,-0.5 -3,-0.3 -1,-0.2 0.630 93.6 92.9 -80.4 -13.5 15.6 13.7 2.6 92 92 A N S+ 0 0 103 2,-0.1 4,-0.8 3,-0.1 -1,-0.2 0.780 118.3 41.9 -96.2 -31.3 15.9 12.7 11.5 95 95 A L H > S+ 0 0 0 -6,-0.2 4,-3.0 -7,-0.2 5,-0.3 0.902 99.3 69.7 -82.6 -41.3 16.4 16.2 10.2 96 96 A K H X S+ 0 0 87 -4,-2.9 4,-2.6 -7,-0.6 5,-0.2 0.881 102.6 44.3 -41.0 -55.0 13.1 16.7 8.4 97 97 A P H > S+ 0 0 49 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.895 113.9 47.5 -62.8 -44.5 11.1 16.9 11.6 98 98 A V H X S+ 0 0 2 -4,-0.8 4,-1.1 1,-0.2 3,-0.3 0.971 113.5 50.9 -60.8 -47.6 13.4 19.1 13.6 99 99 A Y H >< S+ 0 0 33 -4,-3.0 3,-1.1 1,-0.2 -1,-0.2 0.931 108.0 50.6 -52.1 -52.6 13.7 21.3 10.7 100 100 A D H 3< S+ 0 0 68 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.826 106.5 54.9 -60.6 -33.9 10.0 21.7 10.2 101 101 A S H 3< S+ 0 0 37 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.688 94.6 92.7 -76.0 -16.5 9.4 22.5 13.8 102 102 A L S << S- 0 0 5 -4,-1.1 2,-0.1 -3,-1.1 31,-0.0 -0.400 76.6-115.5 -81.9 152.7 11.8 25.4 13.7 103 103 A D > - 0 0 49 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.344 42.1 -97.3 -75.0 163.3 11.3 29.0 13.0 104 104 A A H > S+ 0 0 77 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.838 120.2 50.4 -54.0 -40.3 12.9 30.5 10.0 105 105 A V H > S+ 0 0 30 1,-0.2 4,-1.0 2,-0.2 3,-0.4 0.962 112.1 44.8 -67.4 -48.9 15.9 31.9 11.7 106 106 A R H >> S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 3,-0.6 0.873 104.5 63.9 -63.8 -31.3 16.8 28.8 13.5 107 107 A R H 3X S+ 0 0 79 -4,-2.4 4,-2.7 1,-0.3 -1,-0.2 0.912 98.1 58.5 -55.1 -40.3 16.2 26.8 10.3 108 108 A A H 3X S+ 0 0 7 -4,-1.3 4,-2.2 -3,-0.4 -1,-0.3 0.868 100.6 54.2 -54.5 -43.7 19.1 28.7 9.0 109 109 A A H S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.873 126.9 55.2 -62.0 -35.3 23.8 15.5 6.6 120 120 A T H > S+ 0 0 122 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.944 109.3 46.2 -63.1 -45.0 25.4 12.4 7.9 121 121 A G H >< S+ 0 0 31 -4,-0.7 3,-0.6 1,-0.2 -2,-0.2 0.916 114.2 47.6 -62.9 -45.2 27.4 14.3 10.5 122 122 A V H >< S+ 0 0 0 -4,-2.6 3,-3.0 1,-0.2 -1,-0.2 0.924 102.3 59.5 -65.1 -45.5 24.5 16.4 11.6 123 123 A A H 3< S+ 0 0 12 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.753 92.9 74.7 -56.2 -18.3 22.0 13.6 12.0 124 124 A G T << S+ 0 0 57 -4,-0.7 2,-1.3 -3,-0.6 -1,-0.3 0.695 72.4 82.8 -69.5 -16.2 24.5 12.3 14.5 125 125 A F <> + 0 0 40 -3,-3.0 4,-3.2 1,-0.2 -1,-0.2 -0.231 53.7 156.0 -87.0 54.2 23.6 14.9 17.0 126 126 A T H > + 0 0 89 -2,-1.3 4,-2.5 -3,-0.3 5,-0.2 0.849 69.6 44.6 -41.6 -54.5 20.6 13.0 18.3 127 127 A N H > S+ 0 0 86 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.950 115.1 46.8 -62.2 -48.1 20.4 14.6 21.7 128 128 A S H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.924 111.9 52.5 -58.4 -45.7 20.9 18.0 20.5 129 129 A L H X S+ 0 0 12 -4,-3.2 4,-2.9 2,-0.2 -2,-0.2 0.941 109.0 48.6 -54.9 -53.8 18.3 17.5 17.8 130 130 A R H X S+ 0 0 103 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.938 111.0 50.9 -52.4 -47.3 15.7 16.2 20.2 131 131 A M H X>S+ 0 0 31 -4,-2.4 5,-2.4 1,-0.2 4,-0.6 0.939 108.6 51.4 -58.2 -45.3 16.3 19.2 22.4 132 132 A L H ><5S+ 0 0 2 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.940 107.7 53.8 -56.4 -45.6 15.9 21.5 19.5 133 133 A Q H 3<5S+ 0 0 92 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.839 108.3 47.7 -58.9 -34.2 12.6 19.8 18.8 134 134 A Q H 3<5S- 0 0 88 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.511 113.8-122.2 -85.5 -1.0 11.4 20.4 22.3 135 135 A K T <<5 + 0 0 108 -3,-1.6 2,-2.0 -4,-0.6 -3,-0.2 0.763 57.3 155.9 66.1 29.4 12.6 24.0 21.9 136 136 A R >< + 0 0 105 -5,-2.4 4,-2.3 1,-0.2 3,-0.3 -0.438 18.0 178.6 -84.5 62.1 14.9 23.6 24.9 137 137 A W H > + 0 0 48 -2,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.831 69.0 38.7 -29.9 -72.3 17.1 26.4 23.6 138 138 A D H > S+ 0 0 94 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.887 113.1 54.9 -60.2 -38.8 19.7 26.6 26.3 139 139 A E H > S+ 0 0 102 -3,-0.3 4,-2.8 1,-0.2 3,-0.4 0.967 108.2 49.9 -59.3 -46.2 20.0 22.9 27.0 140 140 A A H X S+ 0 0 0 -4,-2.3 4,-4.7 1,-0.3 5,-0.3 0.901 106.2 55.3 -54.3 -45.3 20.7 22.3 23.4 141 141 A A H X S+ 0 0 8 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.3 0.859 109.1 47.9 -59.8 -35.2 23.4 24.9 23.2 142 142 A V H X S+ 0 0 91 -4,-1.8 4,-1.2 -3,-0.4 -1,-0.2 0.953 114.9 45.3 -70.8 -45.8 25.1 23.2 26.1 143 143 A N H >< S+ 0 0 47 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.966 111.5 52.9 -58.1 -53.4 24.8 19.9 24.4 144 144 A L H 3< S+ 0 0 2 -4,-4.7 6,-0.4 1,-0.3 -1,-0.2 0.897 103.4 57.3 -48.7 -45.7 25.9 21.3 21.1 145 145 A A H 3< S+ 0 0 26 -4,-1.8 2,-2.5 -5,-0.3 -1,-0.3 0.831 87.0 78.4 -60.8 -30.8 29.0 22.8 22.7 146 146 A K S << S+ 0 0 166 -4,-1.2 2,-0.3 -3,-1.2 -1,-0.2 -0.505 84.6 100.9 -79.5 72.4 30.2 19.4 24.0 147 147 A S S > S- 0 0 22 -2,-2.5 4,-2.1 1,-0.1 5,-0.1 -0.967 83.0-117.1-153.7 166.6 31.5 18.5 20.5 148 148 A R H > S+ 0 0 152 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.888 114.5 57.9 -70.4 -41.3 34.4 18.2 18.2 149 149 A W H > S+ 0 0 14 2,-0.2 4,-3.8 1,-0.2 8,-0.2 0.918 109.0 43.0 -52.8 -53.5 32.9 20.8 16.0 150 150 A Y H 4 S+ 0 0 58 -6,-0.4 7,-0.2 1,-0.2 -1,-0.2 0.944 115.9 48.4 -59.3 -52.1 32.8 23.4 18.8 151 151 A N H < S+ 0 0 110 -4,-2.1 -1,-0.2 -6,-0.2 -2,-0.2 0.811 118.1 41.7 -61.0 -34.5 36.2 22.5 20.0 152 152 A Q H < S+ 0 0 96 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.905 132.6 18.9 -81.0 -47.1 37.6 22.6 16.5 153 153 A T S X S+ 0 0 26 -4,-3.8 4,-2.2 -5,-0.2 -1,-0.2 -0.673 72.5 161.7-128.8 81.8 35.8 25.7 15.3 154 154 A P H > + 0 0 42 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.865 69.7 51.8 -67.0 -47.2 34.6 27.6 18.3 155 155 A N H > S+ 0 0 111 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.945 116.9 40.6 -59.6 -47.8 34.0 31.1 16.9 156 156 A R H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 114.6 51.1 -65.9 -47.2 31.8 29.7 14.2 157 157 A A H X S+ 0 0 0 -4,-2.2 4,-3.4 -8,-0.2 5,-0.2 0.935 106.8 58.0 -56.2 -42.6 30.1 27.2 16.4 158 158 A K H X S+ 0 0 96 -4,-3.1 4,-2.9 1,-0.2 5,-0.3 0.925 105.7 46.9 -52.1 -51.1 29.5 30.0 18.8 159 159 A R H X S+ 0 0 63 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.946 114.7 46.9 -58.9 -47.5 27.5 32.1 16.3 160 160 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.966 112.4 49.2 -58.5 -53.9 25.5 29.1 15.2 161 161 A I H X S+ 0 0 13 -4,-3.4 4,-2.3 1,-0.3 -2,-0.2 0.906 111.4 49.3 -49.3 -52.4 24.8 28.1 18.8 162 162 A T H X S+ 0 0 38 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.842 107.3 56.6 -55.6 -39.0 23.7 31.6 19.8 163 163 A T H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 5,-0.3 0.956 109.0 44.9 -61.4 -44.8 21.5 31.6 16.7 164 164 A F H < S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.882 114.9 49.6 -64.4 -38.5 19.8 28.5 17.9 165 165 A R H < S+ 0 0 108 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.854 123.4 27.5 -69.6 -37.2 19.5 30.0 21.4 166 166 A T H < S- 0 0 59 -4,-3.1 -2,-0.2 2,-0.2 -3,-0.2 0.574 83.3-137.4-104.5 -16.0 18.1 33.3 20.4 167 167 A G S < S+ 0 0 17 -4,-2.6 2,-0.2 -5,-0.3 -62,-0.2 0.793 75.2 101.2 63.8 19.0 16.2 32.9 17.2 168 168 A T S S- 0 0 47 -6,-0.3 3,-0.3 -5,-0.3 -1,-0.2 -0.801 79.0-124.2-128.9 172.1 17.9 36.1 16.1 169 169 A W S > S+ 0 0 40 -2,-0.2 3,-2.2 1,-0.2 4,-0.4 0.213 71.5 117.4-100.6 13.3 20.8 37.2 13.9 170 170 A D G > + 0 0 96 1,-0.3 3,-3.5 2,-0.2 -1,-0.2 0.911 68.1 61.3 -45.7 -49.5 22.6 39.2 16.6 171 171 A A G 3 S+ 0 0 34 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.760 105.5 50.3 -50.4 -25.7 25.6 36.9 16.5 172 172 A Y G < 0 0 19 -3,-2.2 -1,-0.3 -13,-0.1 -2,-0.2 0.392 360.0 360.0 -97.3 5.3 26.0 38.0 13.0 173 173 A K < 0 0 186 -3,-3.5 -3,-0.0 -4,-0.4 0, 0.0 -0.637 360.0 360.0 -92.2 360.0 25.8 41.7 13.6