==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 06-MAY-91 1L58 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR H.NICHOLSON,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8678.0 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 . 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 . 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 74 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 148.2 43.9 -1.8 9.1 2 2 A N > - 0 0 69 95,-0.0 4,-2.2 92,-0.0 3,-0.2 -0.860 360.0 -83.2-143.9 176.2 40.7 -0.8 10.9 3 3 A I H > S+ 0 0 22 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.800 123.0 52.0 -54.4 -40.9 38.6 2.3 11.4 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 112.3 44.4 -66.8 -45.2 40.8 3.8 14.2 5 5 A E H > S+ 0 0 94 -3,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.869 113.8 53.2 -64.6 -36.5 44.0 3.5 12.2 6 6 A M H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.952 113.2 40.5 -63.7 -50.7 42.2 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.4 0.850 109.7 60.0 -69.5 -29.6 40.9 7.9 11.0 8 8 A R H X S+ 0 0 106 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.884 107.1 48.0 -66.0 -30.9 44.2 8.4 12.8 9 9 A I H < S+ 0 0 52 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.958 116.2 42.9 -71.7 -44.9 45.9 8.7 9.4 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.800 125.0 30.9 -70.9 -32.9 43.3 11.2 8.1 11 11 A E H < S- 0 0 31 -4,-2.4 19,-0.4 -5,-0.2 -1,-0.2 0.741 90.3-152.3 -99.8 -28.5 43.0 13.4 11.2 12 12 A G < - 0 0 18 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.1 -0.165 24.9 -86.8 79.6-176.7 46.4 13.3 12.8 13 13 A L + 0 0 39 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.968 42.4 173.2-132.5 119.2 46.9 13.7 16.6 14 14 A R E -A 28 0A 127 14,-1.8 14,-2.1 -2,-0.4 4,-0.1 -0.993 17.9-165.1-128.1 134.3 47.4 17.2 18.2 15 15 A L E S+ 0 0 67 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.429 73.8 61.5 -96.4 -1.9 47.6 17.6 22.0 16 16 A K E S-C 57 0B 102 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.913 101.4 -85.1-123.6 150.0 47.0 21.4 21.9 17 17 A I E + 0 0 19 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.276 59.6 172.1 -51.7 133.9 43.9 23.4 20.7 18 18 A Y E -A 26 0A 30 8,-3.1 8,-2.9 -4,-0.1 2,-0.5 -0.877 35.0-104.5-140.1 170.2 44.3 23.9 17.0 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.883 32.9-139.7-102.1 132.8 42.4 25.1 14.0 20 20 A D > - 0 0 47 4,-3.1 3,-2.3 -2,-0.5 -1,-0.0 -0.080 40.3 -82.6 -77.5-176.2 41.0 22.6 11.6 21 21 A T T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.825 132.6 48.4 -57.6 -34.1 40.9 23.0 7.8 22 22 A E T 3 S- 0 0 79 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.207 124.9-101.2 -87.0 4.5 37.8 25.2 8.0 23 23 A G S < S+ 0 0 35 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.522 74.8 142.9 87.7 5.3 39.2 27.3 10.7 24 24 A Y - 0 0 77 1,-0.1 -4,-3.1 -5,-0.1 2,-0.4 -0.537 59.0-102.7 -88.3 152.0 37.4 25.6 13.7 25 25 A Y E +AB 19 34A 31 9,-1.0 8,-3.1 11,-0.3 9,-1.4 -0.527 54.4 162.6 -70.2 121.0 38.8 25.0 17.1 26 26 A T E -AB 18 32A 4 -8,-2.9 -8,-3.1 -2,-0.4 2,-0.3 -0.881 18.8-169.0-138.0 161.1 39.7 21.3 17.4 27 27 A I E > - B 0 31A 0 4,-1.8 4,-2.1 -2,-0.3 -12,-0.2 -0.974 51.4 -2.9-150.3 161.2 41.9 19.0 19.6 28 28 A G E 4 S-A 14 0A 0 -14,-2.1 -14,-1.8 -2,-0.3 2,-1.0 -0.354 123.1 -3.3 64.7-130.7 43.2 15.4 19.7 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.682 128.3 -54.1 -97.8 75.7 42.2 13.2 16.8 30 30 A G T 4 S+ 0 0 14 -2,-1.0 2,-1.0 -19,-0.4 -2,-0.2 0.746 83.6 160.0 65.7 25.5 39.8 15.5 14.9 31 31 A H E < -B 27 0A 35 -4,-2.1 -4,-1.8 1,-0.0 -1,-0.2 -0.700 33.3-143.4 -84.9 104.6 37.6 16.3 17.9 32 32 A L E -B 26 0A 69 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.405 19.2-176.5 -62.5 133.6 35.8 19.5 17.0 33 33 A L E - 0 0 16 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.881 57.8 -22.9 -98.5 -49.8 35.3 21.7 19.9 34 34 A T E -B 25 0A 29 -9,-1.4 -9,-1.0 2,-0.1 -1,-0.4 -0.985 35.2-139.5-159.9 152.3 33.3 24.7 18.7 35 35 A K S S+ 0 0 140 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.615 74.5 114.7 -88.3 -10.8 32.5 26.6 15.5 36 36 A S S S- 0 0 39 1,-0.2 -11,-0.3 2,-0.1 6,-0.1 -0.223 71.8-134.3 -62.1 140.1 32.8 29.7 17.6 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.675 76.1 102.4 -69.0 -12.4 35.5 32.1 16.9 38 38 A S > - 0 0 49 1,-0.2 4,-1.9 2,-0.1 5,-0.1 -0.636 56.3-160.9 -87.6 126.6 36.4 32.4 20.5 39 39 A L H > S+ 0 0 67 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.770 98.2 54.3 -64.5 -26.9 39.4 30.6 21.9 40 40 A N H > S+ 0 0 117 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.933 104.1 51.8 -72.7 -44.8 37.9 31.0 25.3 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.893 111.8 50.7 -55.5 -39.5 34.7 29.4 24.2 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.894 108.7 48.4 -64.3 -46.7 37.0 26.6 22.9 43 43 A K H X S+ 0 0 50 -4,-2.2 4,-2.0 1,-0.2 11,-0.3 0.830 110.5 53.1 -66.8 -29.7 38.9 26.2 26.1 44 44 A S H X S+ 0 0 71 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.889 108.5 48.0 -70.5 -45.0 35.6 26.1 28.0 45 45 A E H X S+ 0 0 64 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.925 110.6 55.2 -61.6 -42.2 34.2 23.3 25.8 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.942 107.1 46.4 -57.3 -50.7 37.4 21.5 26.3 47 47 A D H X>S+ 0 0 37 -4,-2.0 4,-2.6 2,-0.2 5,-0.7 0.883 113.4 51.1 -59.3 -39.0 37.3 21.5 30.1 48 48 A K H <5S+ 0 0 144 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.924 111.2 47.8 -64.3 -45.4 33.7 20.4 29.9 49 49 A A H <5S+ 0 0 44 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.871 121.1 34.8 -66.1 -34.3 34.6 17.6 27.6 50 50 A I H <5S- 0 0 39 -4,-2.3 -2,-0.2 2,-0.3 -1,-0.2 0.747 98.9-126.5 -93.2 -27.6 37.5 16.3 29.7 51 51 A G T <5S+ 0 0 71 -4,-2.6 2,-0.3 1,-0.4 -3,-0.2 0.663 78.7 83.1 88.3 16.2 36.3 17.0 33.2 52 52 A R S - 0 0 7 -2,-0.9 3,-1.7 -11,-0.3 -1,-0.2 0.660 32.5-145.9 -99.5 -18.0 43.0 21.8 30.8 55 55 A N T 3 S- 0 0 121 1,-0.3 -2,-0.1 -12,-0.1 -11,-0.1 0.917 75.7 -52.5 49.9 50.9 44.2 25.2 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.1 2,-0.4 0.517 119.4 95.9 67.2 9.1 44.1 24.1 26.1 57 57 A V B < +C 16 0B 63 -3,-1.7 2,-0.3 -41,-0.2 -41,-0.2 -0.980 45.4 178.3-136.6 139.3 46.2 21.0 26.4 58 58 A I - 0 0 4 -43,-2.3 2,-0.2 -2,-0.4 -30,-0.1 -0.834 27.0-109.4-131.3 167.2 45.4 17.3 26.9 59 59 A T > - 0 0 63 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.463 34.2-105.0 -91.1 165.9 47.3 14.1 27.2 60 60 A K H > S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.912 121.9 53.3 -55.5 -46.5 47.5 11.3 24.7 61 61 A D H > S+ 0 0 122 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.854 107.9 50.0 -55.3 -43.0 45.2 9.1 26.9 62 62 A E H > S+ 0 0 36 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.860 109.3 52.7 -65.9 -39.4 42.6 12.0 26.9 63 63 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -34,-0.4 0.873 110.5 47.4 -63.6 -40.6 42.9 12.2 23.1 64 64 A E H X S+ 0 0 78 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.801 108.4 54.1 -73.2 -31.6 42.2 8.6 22.7 65 65 A K H X S+ 0 0 137 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.947 109.8 46.4 -66.9 -46.8 39.3 8.7 25.1 66 66 A L H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.899 112.6 54.3 -57.9 -38.8 37.6 11.5 23.0 67 67 A F H X S+ 0 0 12 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.930 105.9 49.2 -62.7 -47.9 38.4 9.4 19.9 68 68 A N H X S+ 0 0 92 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.918 113.3 49.0 -58.7 -40.4 36.8 6.2 21.2 69 69 A Q H X S+ 0 0 98 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.893 111.0 48.8 -64.2 -42.8 33.7 8.3 22.0 70 70 A D H X S+ 0 0 35 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.862 110.7 49.4 -65.5 -39.8 33.6 10.0 18.7 71 71 A V H X S+ 0 0 7 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.939 112.8 47.9 -67.4 -44.8 33.9 6.8 16.7 72 72 A D H X S+ 0 0 90 -4,-2.0 4,-2.9 -5,-0.3 5,-0.3 0.935 111.7 49.8 -59.3 -45.2 31.1 5.1 18.7 73 73 A A H X S+ 0 0 44 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.908 110.0 51.7 -64.3 -38.6 28.9 8.1 18.3 74 74 A A H X S+ 0 0 9 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.935 112.2 44.7 -61.4 -50.4 29.5 8.1 14.5 75 75 A V H X S+ 0 0 34 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.942 115.5 47.4 -58.7 -48.7 28.6 4.4 14.2 76 76 A R H X S+ 0 0 109 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.857 109.6 55.6 -60.6 -36.6 25.5 4.8 16.5 77 77 A G H X S+ 0 0 3 -4,-2.3 4,-0.7 -5,-0.3 3,-0.5 0.939 106.7 47.5 -64.1 -46.2 24.5 7.8 14.5 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 7,-0.5 0.913 111.0 53.5 -56.9 -45.7 24.5 5.9 11.2 79 79 A L H 3< S+ 0 0 72 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.723 111.3 44.6 -66.5 -22.5 22.5 3.1 12.7 80 80 A R H 3< S+ 0 0 170 -4,-1.3 2,-0.5 -3,-0.5 -1,-0.3 0.455 94.7 93.8 -95.9 -9.8 19.8 5.5 13.9 81 81 A N > S+ 0 0 0 -6,-0.2 4,-2.5 -7,-0.1 3,-0.6 0.877 101.7 65.7 -86.6 -45.3 22.2 6.0 6.3 85 85 A K H 3X S+ 0 0 81 -4,-2.6 4,-3.1 -7,-0.5 5,-0.2 0.883 100.2 51.1 -46.5 -50.2 21.4 2.7 8.0 86 86 A P H 3> S+ 0 0 53 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.884 111.8 48.0 -62.0 -32.7 20.2 0.9 4.9 87 87 A V H <> S+ 0 0 2 -3,-0.6 4,-1.1 -4,-0.4 3,-0.3 0.954 112.3 48.5 -70.2 -46.0 23.4 1.9 3.0 88 88 A Y H >< S+ 0 0 34 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.946 109.9 53.0 -55.8 -48.5 25.6 0.8 5.8 89 89 A D H 3< S+ 0 0 75 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.845 107.5 52.0 -58.0 -35.6 23.7 -2.5 6.0 90 90 A S H 3< S+ 0 0 35 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.667 96.0 91.0 -75.1 -19.5 24.2 -3.1 2.3 91 91 A L S << S- 0 0 6 -3,-1.2 31,-0.0 -4,-1.1 30,-0.0 -0.515 74.3-118.3 -86.4 157.8 28.0 -2.6 2.4 92 92 A D > - 0 0 55 -2,-0.2 4,-2.1 1,-0.1 -1,-0.1 -0.208 45.4 -92.7 -75.6 167.6 30.9 -4.9 2.8 93 93 A A H > S+ 0 0 72 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.846 121.7 46.4 -53.8 -45.5 33.2 -4.3 5.9 94 94 A V H > S+ 0 0 27 62,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.920 113.9 48.9 -66.1 -43.0 35.9 -2.1 4.2 95 95 A R H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.838 104.4 60.1 -66.8 -32.0 33.3 0.1 2.6 96 96 A R H X S+ 0 0 82 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.920 102.8 52.7 -58.8 -43.5 31.5 0.4 5.9 97 97 A C H X S+ 0 0 19 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.882 105.4 54.5 -60.2 -39.7 34.7 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.911 109.7 46.5 -63.1 -41.5 34.7 4.6 4.4 99 99 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.884 111.0 52.3 -68.4 -35.2 31.1 5.7 5.3 100 100 A I H X S+ 0 0 8 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.937 106.9 54.1 -64.3 -39.9 32.0 5.9 9.0 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.964 108.8 47.9 -56.5 -50.4 35.0 8.1 8.0 102 102 A M H X S+ 0 0 3 -4,-2.2 4,-3.4 1,-0.2 5,-0.3 0.900 111.7 49.6 -56.8 -44.8 32.7 10.5 6.1 103 103 A V H X S+ 0 0 9 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.896 108.7 52.8 -63.5 -41.6 30.2 10.7 9.1 104 104 A F H < S+ 0 0 32 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.930 117.8 37.4 -59.9 -43.7 33.0 11.4 11.5 105 105 A Q H < S+ 0 0 58 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.919 133.1 20.3 -77.6 -46.2 34.3 14.3 9.4 106 106 A M H X S- 0 0 52 -4,-3.4 4,-0.6 -5,-0.2 -3,-0.2 0.533 102.6-117.1-109.8 0.1 31.1 15.8 8.2 107 107 A G H X - 0 0 32 -4,-2.1 4,-2.4 -5,-0.3 5,-0.2 0.176 34.2 -77.7 78.5 154.8 28.3 14.6 10.5 108 108 A E H > S+ 0 0 57 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.899 128.8 50.8 -50.7 -51.5 25.2 12.5 9.9 109 109 A T H > S+ 0 0 123 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.889 109.1 50.3 -59.9 -44.8 23.3 15.3 8.3 110 110 A G H >< S+ 0 0 31 -4,-0.6 3,-0.8 2,-0.2 4,-0.2 0.947 113.9 43.6 -61.3 -50.0 26.1 16.2 5.9 111 111 A V H >< S+ 0 0 1 -4,-2.4 3,-2.7 1,-0.2 -2,-0.2 0.928 106.4 60.4 -63.7 -43.1 26.5 12.7 4.7 112 112 A A H 3< S+ 0 0 15 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.762 95.0 68.4 -56.5 -21.4 22.8 12.1 4.4 113 113 A G T << S+ 0 0 53 -4,-1.0 2,-1.5 -3,-0.8 -1,-0.3 0.605 74.7 84.4 -72.1 -14.4 22.8 15.0 1.9 114 114 A F <> + 0 0 43 -3,-2.7 4,-2.5 -4,-0.2 5,-0.3 -0.304 57.1 160.3 -87.4 58.1 24.7 13.0 -0.7 115 115 A T H > + 0 0 93 -2,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.837 67.2 44.0 -43.4 -55.7 21.5 11.5 -2.0 116 116 A N H > S+ 0 0 87 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.885 114.0 48.5 -65.0 -43.8 22.7 10.3 -5.4 117 117 A S H > S+ 0 0 1 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.873 109.6 53.6 -64.1 -42.8 26.0 8.9 -4.2 118 118 A L H X S+ 0 0 14 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.911 108.7 50.1 -59.5 -42.3 24.3 6.9 -1.4 119 119 A R H X S+ 0 0 115 -4,-1.8 4,-1.8 -5,-0.3 -2,-0.2 0.929 110.8 49.8 -61.7 -44.2 21.9 5.4 -4.0 120 120 A M H <>S+ 0 0 27 -4,-2.0 5,-2.5 1,-0.2 -1,-0.2 0.859 109.5 49.2 -65.9 -38.7 24.8 4.4 -6.1 121 121 A L H ><5S+ 0 0 2 -4,-2.2 3,-1.8 2,-0.2 -1,-0.2 0.912 109.4 53.7 -67.4 -39.1 26.7 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 92 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.899 109.9 47.3 -57.7 -38.9 23.6 0.9 -2.4 123 123 A Q T 3<5S- 0 0 89 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.434 114.2-120.4 -83.7 -0.2 23.3 -0.4 -5.9 124 124 A K T < 5 + 0 0 104 -3,-1.8 2,-1.1 1,-0.2 -3,-0.2 0.785 61.7 147.7 63.8 34.5 27.0 -1.3 -5.9 125 125 A R >< + 0 0 121 -5,-2.5 4,-2.5 1,-0.2 -1,-0.2 -0.730 19.1 173.9-102.6 79.9 27.9 1.0 -8.8 126 126 A W H > S+ 0 0 48 -2,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.867 70.3 45.0 -57.1 -49.4 31.4 1.7 -7.6 127 127 A D H > S+ 0 0 108 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 114.7 48.3 -64.3 -44.6 32.8 3.7 -10.4 128 128 A E H > S+ 0 0 95 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.913 112.4 49.1 -64.8 -43.7 29.7 5.8 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.886 107.8 53.6 -61.8 -42.0 29.6 6.6 -7.2 130 130 A A H X S+ 0 0 10 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.921 111.3 47.2 -58.8 -43.8 33.4 7.6 -7.0 131 131 A V H >X S+ 0 0 88 -4,-2.0 3,-0.6 1,-0.2 4,-0.5 0.956 113.7 47.0 -64.0 -46.9 32.8 10.1 -9.8 132 132 A N H >< S+ 0 0 42 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.903 107.4 55.7 -61.9 -43.3 29.6 11.5 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.6 6,-0.3 1,-0.2 -1,-0.2 0.802 99.9 62.2 -58.9 -30.1 31.3 11.8 -4.7 134 134 A A H << S+ 0 0 25 -4,-1.1 2,-1.3 -3,-0.6 -1,-0.2 0.641 85.6 78.6 -74.3 -14.5 34.1 14.0 -6.3 135 135 A K S << S+ 0 0 150 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 -0.547 79.8 96.7 -92.0 66.2 31.5 16.6 -7.3 136 136 A S S > S- 0 0 17 -2,-1.3 4,-1.7 1,-0.1 3,-0.4 -0.997 85.3-116.8-152.5 153.4 31.3 18.2 -3.9 137 137 A R H > S+ 0 0 141 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.924 115.8 64.1 -53.4 -43.4 32.7 21.0 -1.9 138 138 A W H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.876 102.7 45.8 -45.1 -52.3 34.1 18.1 0.3 139 139 A Y H 4 S+ 0 0 60 -3,-0.4 -1,-0.2 -6,-0.3 -2,-0.2 0.836 115.7 46.7 -64.4 -37.8 36.4 16.9 -2.5 140 140 A N H < S+ 0 0 115 -4,-1.7 3,-0.5 1,-0.2 -2,-0.2 0.902 116.8 43.4 -72.2 -39.1 37.5 20.5 -3.4 141 141 A Q H < S+ 0 0 102 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.783 129.6 20.6 -77.8 -36.2 38.2 21.4 0.3 142 142 A T S X S+ 0 0 21 -4,-2.3 4,-2.9 -5,-0.3 5,-0.2 -0.516 75.9 163.5-133.8 64.6 40.0 18.2 1.5 143 143 A A H > + 0 0 34 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.842 67.8 46.8 -56.6 -44.9 41.2 16.7 -1.6 144 144 A N H > S+ 0 0 116 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.940 118.6 43.2 -70.1 -37.3 43.8 14.2 -0.5 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.941 112.7 51.2 -66.3 -50.7 41.6 12.8 2.2 146 146 A A H X S+ 0 0 0 -4,-2.9 4,-3.3 -8,-0.2 5,-0.2 0.945 109.5 53.5 -53.0 -46.5 38.5 12.8 0.0 147 147 A K H X S+ 0 0 94 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.874 107.2 49.9 -58.3 -37.7 40.6 10.8 -2.6 148 148 A R H X S+ 0 0 50 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.940 114.6 44.3 -65.9 -45.4 41.6 8.2 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.943 112.8 51.2 -63.1 -48.2 38.0 7.8 1.0 150 150 A I H X S+ 0 0 14 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.909 109.4 49.8 -52.3 -50.7 36.7 7.7 -2.6 151 151 A T H X S+ 0 0 37 -4,-2.4 4,-2.9 1,-0.2 5,-0.4 0.850 107.6 56.3 -59.1 -37.2 39.3 5.0 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.909 111.0 41.6 -61.3 -46.4 38.2 3.0 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.876 116.0 53.5 -67.6 -36.3 34.6 3.0 -1.8 154 154 A R H < S+ 0 0 105 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.940 124.1 18.8 -61.9 -52.6 35.8 2.4 -5.3 155 155 A T H < S- 0 0 44 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.643 86.1-132.5 -98.2 -23.6 37.9 -0.7 -4.7 156 156 A G S < S+ 0 0 18 -4,-2.3 2,-0.2 -5,-0.4 -62,-0.2 0.736 74.0 100.5 72.9 20.5 36.8 -2.1 -1.4 157 157 A T S S- 0 0 48 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.763 80.6-117.2-129.8 174.2 40.4 -2.5 -0.3 158 158 A W S >> S+ 0 0 29 -2,-0.2 3,-1.7 1,-0.2 4,-0.8 0.158 71.8 120.7 -99.6 15.7 42.8 -0.5 1.9 159 159 A D H 3> + 0 0 94 1,-0.3 4,-0.5 2,-0.2 3,-0.3 0.747 66.5 59.7 -51.5 -35.3 45.2 0.3 -0.8 160 160 A A H 34 S+ 0 0 13 -3,-0.3 4,-0.4 1,-0.2 -1,-0.3 0.752 113.9 38.2 -69.7 -19.1 44.9 4.1 -0.4 161 161 A Y H <4 S+ 0 0 1 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.525 95.5 80.2-103.7 -11.7 46.1 3.8 3.1 162 162 A K H < S+ 0 0 138 -4,-0.8 -2,-0.1 -3,-0.3 -3,-0.1 0.669 93.6 54.6 -73.4 -13.2 48.7 1.1 2.7 163 163 A N < 0 0 131 -4,-0.5 -1,-0.2 1,-0.1 -2,-0.1 0.965 360.0 360.0 -65.4 -63.7 50.9 3.7 1.5 164 164 A L 0 0 120 -4,-0.4 -2,-0.2 0, 0.0 -1,-0.1 0.539 360.0 360.0 -68.1 360.0 50.5 6.0 4.6