==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-SEP-04 1XEP . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR A.P.GRAVES,R.BRENK,B.K.SHOICHET . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8961.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 . 10 6.2 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 . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 51.2 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 2 1 0 0 1 1 0 0 0 0 1 0 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 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 71 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 148.7 43.0 -1.7 8.9 2 2 A N > - 0 0 69 156,-0.0 4,-2.5 95,-0.0 5,-0.2 -0.910 360.0 -83.6-153.3 173.9 39.8 -0.8 10.8 3 3 A I H > S+ 0 0 20 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.826 126.0 51.3 -56.6 -35.1 37.8 2.4 11.2 4 4 A F H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.941 112.4 44.5 -70.4 -44.2 40.0 3.6 14.1 5 5 A E H > S+ 0 0 102 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.891 114.7 50.9 -65.1 -37.5 43.2 3.2 12.1 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.946 113.3 42.3 -65.3 -50.8 41.6 4.8 9.1 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.842 109.6 59.0 -67.8 -31.1 40.3 7.8 10.8 8 8 A R H X S+ 0 0 109 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.909 108.8 45.5 -62.7 -39.0 43.6 8.2 12.8 9 9 A I H < S+ 0 0 85 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.948 117.6 43.2 -68.2 -45.2 45.4 8.5 9.4 10 10 A D H < S+ 0 0 21 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.823 125.3 31.4 -72.0 -29.5 42.8 10.9 8.0 11 11 A E H < S- 0 0 41 -4,-2.8 19,-0.4 -5,-0.2 -1,-0.2 0.660 91.0-153.3-103.6 -21.2 42.5 13.1 11.1 12 12 A G < - 0 0 23 -4,-1.9 2,-0.4 -5,-0.3 -1,-0.2 -0.177 23.7 -89.1 74.7-172.3 45.9 13.0 12.7 13 13 A L + 0 0 47 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.944 44.0 167.1-143.9 118.2 46.5 13.5 16.5 14 14 A R E -A 28 0A 137 14,-1.7 14,-2.3 -2,-0.4 4,-0.1 -1.000 21.7-159.9-133.2 132.6 47.1 16.9 18.1 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.508 74.0 63.2 -91.0 -5.7 47.0 17.4 21.9 16 16 A K E S-C 57 0B 140 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.891 101.4 -85.0-117.1 150.1 46.5 21.2 21.8 17 17 A I E + 0 0 32 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.255 58.3 167.0 -53.1 132.0 43.5 23.1 20.4 18 18 A Y E -A 26 0A 30 8,-2.7 8,-3.1 -4,-0.1 2,-0.4 -0.878 37.5-103.8-139.7 169.2 44.0 23.6 16.6 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.861 34.6-136.7-101.1 136.4 41.7 24.7 13.7 20 20 A D > - 0 0 44 4,-2.6 3,-2.0 -2,-0.4 -1,-0.1 -0.007 41.8 -76.8 -77.0-171.1 40.5 22.0 11.3 21 21 A T T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.729 134.5 49.9 -61.9 -23.3 40.4 22.2 7.5 22 22 A E T 3 S- 0 0 73 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.369 123.4-103.4 -95.1 2.7 37.3 24.4 7.7 23 23 A G S < S+ 0 0 40 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.612 75.3 140.9 85.5 16.3 38.9 26.8 10.3 24 24 A Y - 0 0 74 1,-0.1 -4,-2.6 9,-0.0 -1,-0.3 -0.751 60.5-102.2 -99.7 136.9 37.0 25.3 13.3 25 25 A Y E +A 19 0A 35 11,-0.4 8,-2.7 9,-0.4 9,-1.3 -0.327 55.7 158.5 -57.5 128.2 38.5 24.7 16.8 26 26 A T E -AB 18 32A 2 -8,-3.1 -8,-2.7 6,-0.3 2,-0.3 -0.876 20.0-169.2-145.2 164.3 39.3 21.0 17.2 27 27 A I E > + B 0 31A 0 4,-1.5 4,-2.3 -2,-0.3 -12,-0.2 -0.974 51.8 7.5-154.9 165.3 41.5 18.8 19.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.7 -2,-0.3 2,-1.0 -0.392 123.3 -8.8 68.7-132.5 42.7 15.2 19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.710 128.5 -51.5-103.0 75.2 41.8 13.0 16.6 30 30 A G T 4 S+ 0 0 13 -2,-1.0 2,-1.0 -19,-0.4 -2,-0.2 0.812 82.1 163.2 65.4 30.8 39.4 15.3 14.8 31 31 A H E < -B 27 0A 27 -4,-2.3 -4,-1.5 -20,-0.1 2,-0.3 -0.727 31.7-143.2 -84.7 105.0 37.2 16.1 17.8 32 32 A L E -B 26 0A 73 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.484 18.3-174.9 -67.6 126.9 35.3 19.2 16.7 33 33 A L - 0 0 11 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.890 58.5 -36.8 -90.4 -45.6 34.8 21.5 19.6 34 34 A T - 0 0 34 -9,-1.3 -9,-0.4 2,-0.1 -1,-0.4 -0.960 35.4-128.3-171.4 158.3 32.7 24.3 18.1 35 35 A K S S+ 0 0 127 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.401 75.7 117.0 -95.6 2.2 32.1 26.2 15.0 36 36 A S - 0 0 37 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.424 66.7-140.4 -68.0 139.9 32.3 29.4 17.1 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.541 75.3 101.3 -80.3 -1.2 35.2 31.7 16.2 38 38 A S >> - 0 0 57 1,-0.2 4,-1.7 -13,-0.0 3,-0.5 -0.742 60.8-157.1 -88.4 118.4 35.8 32.4 19.9 39 39 A L H 3> S+ 0 0 68 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.839 93.8 57.5 -61.6 -34.3 38.7 30.5 21.4 40 40 A N H 3> S+ 0 0 118 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.862 104.1 51.8 -67.1 -32.9 37.2 30.8 24.9 41 41 A A H <> S+ 0 0 37 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.905 110.2 49.5 -68.7 -37.5 34.0 29.1 23.8 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.907 108.8 52.3 -66.4 -39.9 36.1 26.3 22.3 43 43 A K H X S+ 0 0 61 -4,-2.5 4,-2.4 2,-0.2 11,-0.3 0.892 108.6 51.5 -62.6 -36.7 38.0 26.0 25.6 44 44 A S H X S+ 0 0 68 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.936 109.3 49.3 -65.4 -45.6 34.7 25.7 27.5 45 45 A E H X S+ 0 0 67 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.882 110.6 51.7 -60.6 -39.7 33.5 23.0 25.1 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.957 110.2 47.2 -62.2 -49.4 36.8 21.1 25.7 47 47 A D H X>S+ 0 0 38 -4,-2.4 4,-2.4 1,-0.2 5,-0.7 0.870 112.0 51.4 -59.5 -37.1 36.5 21.3 29.5 48 48 A K H <5S+ 0 0 142 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.906 112.5 46.2 -67.0 -41.0 32.8 20.1 29.3 49 49 A A H <5S+ 0 0 43 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.869 120.6 36.3 -70.4 -38.3 33.8 17.2 27.1 50 50 A I H <5S- 0 0 36 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.766 102.3-125.2 -87.7 -28.7 36.8 16.1 29.2 51 51 A G T <5S+ 0 0 68 -4,-2.4 2,-0.3 -5,-0.3 -3,-0.2 0.671 78.5 67.6 92.2 17.1 35.4 16.9 32.7 52 52 A R S - 0 0 6 -2,-1.1 3,-1.6 -11,-0.3 -1,-0.2 0.618 30.4-140.6 -85.9 -17.0 42.1 21.7 30.5 55 55 A N T 3 S- 0 0 129 1,-0.3 3,-0.1 -12,-0.1 -2,-0.1 0.900 74.6 -56.7 56.4 37.6 43.5 25.1 29.5 56 56 A G T 3 S+ 0 0 8 -13,-0.2 -39,-1.9 1,-0.1 2,-0.4 0.559 119.0 99.2 71.8 12.2 43.3 24.0 25.9 57 57 A V B < +C 16 0B 71 -3,-1.6 2,-0.3 -41,-0.2 -41,-0.2 -0.989 43.5 176.4-132.7 139.5 45.5 20.9 26.3 58 58 A I - 0 0 5 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.839 27.5-108.2-133.8 171.8 44.7 17.2 26.7 59 59 A T > - 0 0 69 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.517 32.9-108.0 -96.2 167.4 46.6 13.9 27.0 60 60 A K H > S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.912 120.6 53.1 -61.4 -40.1 46.8 11.1 24.4 61 61 A D H > S+ 0 0 123 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 109.5 48.7 -62.5 -40.2 44.5 8.9 26.6 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 110.5 51.3 -65.6 -41.3 41.9 11.7 26.7 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -34,-0.4 0.924 110.7 48.2 -60.3 -44.1 42.1 12.2 23.0 64 64 A E H X S+ 0 0 91 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.870 108.4 54.8 -67.9 -31.5 41.6 8.5 22.4 65 65 A K H X S+ 0 0 136 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.934 110.2 45.0 -66.2 -44.6 38.6 8.5 24.7 66 66 A L H X S+ 0 0 4 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.892 111.2 55.8 -65.0 -36.0 36.9 11.3 22.8 67 67 A F H X S+ 0 0 10 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.946 106.9 47.8 -62.3 -47.3 37.8 9.5 19.6 68 68 A N H X S+ 0 0 89 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.914 113.5 48.5 -60.3 -41.9 36.1 6.3 20.7 69 69 A Q H X S+ 0 0 95 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.901 112.2 49.2 -62.9 -41.3 33.0 8.3 21.7 70 70 A D H X S+ 0 0 37 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.869 112.5 46.0 -68.7 -39.2 33.0 10.2 18.4 71 71 A V H X S+ 0 0 6 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.951 114.6 48.6 -66.4 -48.1 33.3 7.0 16.2 72 72 A D H X S+ 0 0 90 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.928 112.5 48.2 -55.9 -48.5 30.6 5.3 18.3 73 73 A A H X S+ 0 0 62 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.841 107.9 55.4 -64.0 -33.4 28.3 8.3 18.0 74 74 A A H X S+ 0 0 11 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.952 111.4 43.6 -63.8 -48.6 28.9 8.5 14.3 75 75 A V H X S+ 0 0 31 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.945 113.6 49.8 -60.9 -51.8 27.7 4.9 13.8 76 76 A R H X S+ 0 0 123 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.849 110.1 52.7 -59.2 -34.7 24.7 5.2 16.1 77 77 A G H >X S+ 0 0 11 -4,-1.9 3,-1.0 -5,-0.2 4,-0.7 0.940 106.0 51.8 -66.0 -47.9 23.7 8.4 14.3 78 78 A I H >< S+ 0 0 3 -4,-2.1 3,-1.3 1,-0.3 7,-0.4 0.919 108.1 53.1 -53.6 -45.9 23.8 6.7 10.9 79 79 A L H 3< S+ 0 0 55 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.722 107.9 50.6 -64.9 -21.7 21.6 3.9 12.3 80 80 A R H << S+ 0 0 178 -3,-1.0 2,-0.7 -4,-0.9 -1,-0.3 0.508 91.3 90.5 -93.4 -4.9 19.0 6.4 13.5 81 81 A N XX - 0 0 39 -3,-1.3 4,-3.0 -4,-0.7 3,-0.6 -0.831 65.8-153.6 -96.9 113.9 18.8 8.2 10.2 82 82 A A T 34 S+ 0 0 85 -2,-0.7 -1,-0.1 1,-0.2 -4,-0.0 0.710 95.2 48.9 -58.4 -23.9 16.1 6.8 7.9 83 83 A K T 34 S+ 0 0 161 2,-0.1 4,-0.4 1,-0.1 -1,-0.2 0.788 119.5 36.2 -85.8 -29.5 17.9 7.9 4.8 84 84 A L T <> S+ 0 0 14 -3,-0.6 4,-2.7 -6,-0.2 5,-0.2 0.823 101.7 69.0 -94.0 -35.2 21.3 6.5 5.8 85 85 A K H X S+ 0 0 96 -4,-3.0 4,-3.1 -7,-0.4 5,-0.2 0.909 98.0 50.3 -55.0 -48.7 20.5 3.3 7.6 86 86 A P H > S+ 0 0 57 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.895 114.3 44.3 -60.4 -36.9 19.3 1.3 4.6 87 87 A V H > S+ 0 0 8 -4,-0.4 4,-0.8 -3,-0.2 3,-0.4 0.939 114.9 49.2 -71.3 -44.1 22.3 2.1 2.5 88 88 A Y H >< S+ 0 0 27 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.935 110.7 49.8 -58.3 -46.7 24.7 1.5 5.4 89 89 A D H 3< S+ 0 0 75 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.747 105.0 59.6 -67.1 -21.3 23.1 -1.8 6.2 90 90 A S H 3< S+ 0 0 37 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.681 93.9 88.1 -78.1 -18.6 23.4 -2.8 2.5 91 91 A L S << S- 0 0 7 -3,-1.2 2,-0.1 -4,-0.8 31,-0.0 -0.389 78.8-115.9 -84.1 158.4 27.2 -2.4 2.6 92 92 A D > - 0 0 54 -2,-0.1 4,-1.8 1,-0.1 5,-0.2 -0.392 44.3 -95.2 -78.5 167.0 30.0 -4.8 3.5 93 93 A A H > S+ 0 0 72 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.819 121.7 51.8 -57.8 -37.9 32.1 -4.0 6.5 94 94 A V H >> S+ 0 0 32 1,-0.2 4,-1.3 2,-0.2 3,-0.8 0.961 112.1 45.0 -67.4 -48.5 35.0 -2.2 4.6 95 95 A R H 3> S+ 0 0 26 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.836 105.8 62.2 -65.1 -26.7 32.6 0.1 2.8 96 96 A R H 3X S+ 0 0 80 -4,-1.8 4,-2.3 1,-0.2 -1,-0.3 0.854 99.3 56.4 -64.3 -31.3 30.8 0.7 6.1 97 97 A C H 4 S+ 0 0 122 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.847 104.9 57.5 -69.6 -32.7 23.8 17.2 7.5 110 110 A G H 3< S+ 0 0 29 -4,-0.7 3,-0.5 1,-0.2 -1,-0.2 0.819 107.1 47.7 -65.9 -29.6 26.9 17.2 5.5 111 111 A V T >< S+ 0 0 3 -4,-1.2 3,-1.8 1,-0.2 -1,-0.2 0.494 86.7 92.6 -88.8 -4.8 25.9 13.9 3.9 112 112 A A G X S+ 0 0 65 -3,-0.8 3,-0.6 -4,-0.4 -1,-0.2 0.807 82.2 53.4 -60.3 -31.3 22.4 15.2 3.2 113 113 A G G 3 S+ 0 0 72 -3,-0.5 3,-0.4 -4,-0.4 -1,-0.3 0.488 89.6 82.0 -84.2 1.9 23.3 16.3 -0.3 114 114 A F G <> + 0 0 22 -3,-1.8 4,-2.9 1,-0.2 3,-0.4 0.172 49.9 123.6 -93.3 22.0 24.6 12.9 -1.2 115 115 A T H <> S+ 0 0 75 -3,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.854 75.1 46.3 -47.3 -47.4 21.3 11.3 -2.1 116 116 A N H > S+ 0 0 86 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.879 113.3 48.7 -68.6 -36.5 22.3 10.3 -5.6 117 117 A S H > S+ 0 0 2 -3,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.922 110.1 53.5 -67.0 -43.1 25.6 8.8 -4.5 118 118 A L H X S+ 0 0 24 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.890 107.3 50.2 -56.8 -42.9 23.8 6.9 -1.7 119 119 A R H X S+ 0 0 115 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.933 110.8 48.9 -63.9 -45.4 21.4 5.4 -4.2 120 120 A M H <>S+ 0 0 41 -4,-1.9 5,-2.5 1,-0.2 4,-0.4 0.867 110.5 51.6 -63.1 -36.3 24.2 4.2 -6.4 121 121 A L H ><5S+ 0 0 2 -4,-2.4 3,-1.1 2,-0.2 -2,-0.2 0.929 109.4 48.8 -66.8 -42.4 26.0 2.8 -3.4 122 122 A Q H 3<5S+ 0 0 96 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.844 111.3 51.0 -65.0 -31.7 22.9 0.8 -2.4 123 123 A Q T 3<5S- 0 0 88 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.546 111.3-127.2 -79.1 -9.6 22.6 -0.4 -6.0 124 124 A K T < 5 + 0 0 98 -3,-1.1 2,-1.5 -4,-0.4 -3,-0.2 0.823 59.3 148.0 63.0 32.8 26.3 -1.5 -5.8 125 125 A R >< + 0 0 125 -5,-2.5 4,-2.6 1,-0.2 -1,-0.2 -0.660 22.7 175.3 -91.7 75.7 27.1 0.5 -8.9 126 126 A W H > + 0 0 50 -2,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.860 66.5 45.0 -62.2 -43.5 30.5 1.2 -7.5 127 127 A D H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.924 116.9 46.8 -69.1 -39.5 32.3 3.0 -10.4 128 128 A E H > S+ 0 0 110 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.898 111.4 51.7 -65.7 -40.8 29.3 5.3 -11.0 129 129 A A H X S+ 0 0 1 -4,-2.6 4,-2.7 -9,-0.2 -2,-0.2 0.935 109.5 50.9 -59.3 -45.7 29.0 5.9 -7.2 130 130 A A H X S+ 0 0 12 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.897 109.6 49.4 -62.3 -41.8 32.7 6.9 -7.1 131 131 A V H < S+ 0 0 97 -4,-2.2 4,-0.5 1,-0.2 3,-0.3 0.931 113.7 46.7 -63.1 -41.5 32.3 9.3 -10.0 132 132 A N H >< S+ 0 0 29 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.888 105.4 58.8 -70.1 -36.3 29.2 10.9 -8.3 133 133 A L H 3< S+ 0 0 1 -4,-2.7 6,-0.4 1,-0.3 -1,-0.2 0.830 101.6 56.3 -62.1 -30.7 30.9 11.2 -4.9 134 134 A A T 3< S+ 0 0 27 -4,-1.2 2,-1.9 -3,-0.3 -1,-0.3 0.632 84.7 82.7 -79.0 -12.2 33.7 13.3 -6.4 135 135 A K S < S+ 0 0 139 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.2 -0.496 81.9 98.7 -88.5 69.3 31.2 15.9 -7.8 136 136 A S S > S- 0 0 17 -2,-1.9 4,-2.1 1,-0.1 5,-0.2 -0.992 86.5-117.0-155.4 156.5 31.1 17.6 -4.4 137 137 A R H > S+ 0 0 142 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.911 115.6 62.6 -59.2 -39.8 32.3 20.4 -2.3 138 138 A W H > S+ 0 0 11 1,-0.2 4,-2.1 2,-0.2 8,-0.2 0.926 106.4 41.3 -49.2 -54.6 33.7 17.6 -0.1 139 139 A Y H 4 S+ 0 0 54 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.915 115.3 50.6 -64.0 -43.0 36.1 16.3 -2.8 140 140 A N H < S+ 0 0 111 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.875 115.7 40.6 -66.6 -36.7 37.1 19.8 -4.0 141 141 A Q H < S+ 0 0 112 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.816 133.2 20.9 -82.4 -31.5 38.0 21.1 -0.4 142 142 A T S X S+ 0 0 19 -4,-2.1 4,-2.8 -5,-0.3 -1,-0.2 -0.537 74.4 158.5-133.6 69.7 39.7 17.8 0.8 143 143 A P H > + 0 0 46 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.872 69.7 52.2 -64.4 -39.9 40.7 15.9 -2.3 144 144 A N H > S+ 0 0 116 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.941 116.6 39.5 -66.3 -41.5 43.4 13.7 -1.0 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.928 115.6 51.5 -71.1 -43.7 41.2 12.4 1.8 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.895 106.2 55.8 -60.9 -37.9 38.1 12.2 -0.3 147 147 A K H X S+ 0 0 99 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.893 108.8 47.8 -61.7 -39.3 40.1 10.2 -2.9 148 148 A R H X S+ 0 0 68 -4,-1.4 4,-1.6 -3,-0.2 12,-0.2 0.931 114.5 45.0 -65.6 -44.8 41.0 7.7 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.918 113.6 49.8 -67.0 -41.4 37.5 7.4 1.1 150 150 A I H X S+ 0 0 13 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.900 107.9 53.1 -63.4 -41.6 36.0 7.1 -2.5 151 151 A T H X S+ 0 0 38 -4,-2.2 4,-2.5 -5,-0.2 6,-0.4 0.877 108.2 52.1 -60.7 -36.0 38.5 4.4 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 5,-0.2 0.918 111.7 45.3 -66.4 -43.7 37.3 2.5 -0.3 153 153 A F H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.865 115.1 49.4 -65.6 -36.8 33.7 2.9 -1.4 154 154 A R H < S+ 0 0 106 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.904 125.8 22.0 -70.6 -39.2 34.6 1.9 -5.0 155 155 A T H < S- 0 0 38 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.715 83.8-133.4-105.4 -25.6 36.7 -1.3 -4.2 156 156 A G S < S+ 0 0 17 -4,-2.4 2,-0.3 -5,-0.3 -62,-0.2 0.747 75.2 105.2 73.3 19.9 35.6 -2.6 -0.8 157 157 A T S S- 0 0 48 -6,-0.4 -1,-0.3 -5,-0.2 3,-0.3 -0.785 79.2-122.8-125.3 172.7 39.4 -2.9 0.0 158 158 A W >> + 0 0 53 -2,-0.3 3,-2.2 1,-0.2 4,-1.2 0.067 68.4 124.5-101.5 21.0 41.9 -0.9 2.1 159 159 A D T 34 + 0 0 124 1,-0.3 3,-0.2 2,-0.2 -1,-0.2 0.815 68.6 56.9 -52.7 -34.4 44.2 -0.2 -0.8 160 160 A A T 34 S+ 0 0 32 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.609 113.9 38.4 -76.2 -7.9 44.1 3.5 -0.3 161 161 A Y T <4 0 0 8 -3,-2.2 -1,-0.2 -13,-0.1 -2,-0.2 0.484 360.0 360.0-116.6 -8.6 45.3 3.2 3.3 162 162 A K < 0 0 221 -4,-1.2 -3,-0.1 -3,-0.2 -2,-0.1 0.710 360.0 360.0 35.6 360.0 47.9 0.4 2.9