==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-FEB-07 2OTZ . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR A.P.GRAVES,B.K.SHOICHET . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8551.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 69.8 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 . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 51.9 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 2 0 1 1 2 0 0 1 1 1 0 0 0 0 0 1 0 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 X M 0 0 81 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 140.6 52.9 -15.5 -7.0 2 2 X N > - 0 0 68 95,-0.0 4,-2.6 156,-0.0 5,-0.2 -0.894 360.0 -78.2-153.3-179.7 50.4 -17.9 -5.5 3 3 X I H > S+ 0 0 25 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.859 127.1 50.1 -57.5 -38.3 46.6 -18.3 -4.9 4 4 X F H > S+ 0 0 71 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.923 114.9 42.4 -67.2 -44.9 46.6 -15.8 -2.0 5 5 X E H > S+ 0 0 97 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.833 114.1 53.8 -67.9 -34.7 48.6 -13.2 -3.9 6 6 X M H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.945 112.5 41.0 -65.7 -51.8 46.5 -13.8 -7.0 7 7 X L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.788 109.4 60.2 -69.0 -30.4 43.1 -13.3 -5.2 8 8 X R H X S+ 0 0 104 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.879 108.8 45.1 -62.2 -38.7 44.5 -10.3 -3.3 9 9 X I H < S+ 0 0 87 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.943 118.3 41.6 -67.7 -48.8 45.2 -8.6 -6.6 10 10 X D H < S+ 0 0 21 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.823 125.9 32.6 -70.3 -33.7 41.7 -9.5 -8.1 11 11 X E H < S- 0 0 42 -4,-2.6 19,-0.4 1,-0.2 -3,-0.2 0.714 93.3-154.2 -97.9 -25.7 39.7 -8.8 -5.0 12 12 X G < - 0 0 23 -4,-1.6 2,-0.3 -5,-0.3 -1,-0.2 -0.274 22.9 -87.0 78.0-171.2 41.6 -5.9 -3.3 13 13 X L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.931 45.1 165.6-141.6 118.3 41.6 -5.1 0.4 14 14 X R E -A 28 0A 150 14,-1.5 14,-2.7 -2,-0.3 4,-0.1 -0.993 22.2-160.6-135.4 126.9 38.9 -2.9 2.0 15 15 X L E S+ 0 0 66 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.465 74.4 64.5 -90.0 -3.1 38.5 -2.7 5.8 16 16 X K E S-C 57 0B 65 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.869 100.8 -85.4-116.5 154.0 35.0 -1.3 5.7 17 17 X I E + 0 0 33 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.369 58.3 166.2 -59.5 125.4 31.8 -2.8 4.3 18 18 X Y E -A 26 0A 28 8,-2.9 8,-3.6 -2,-0.1 2,-0.4 -0.853 38.1-103.9-132.6 168.2 31.5 -2.2 0.5 19 19 X K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.843 34.3-137.5 -95.7 134.4 29.5 -3.6 -2.4 20 20 X D > - 0 0 47 4,-2.8 3,-1.4 -2,-0.4 -1,-0.1 0.052 43.4 -74.8 -73.0-169.1 31.2 -6.0 -4.8 21 21 X T T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.716 135.6 48.6 -64.5 -22.0 30.9 -6.0 -8.6 22 22 X E T 3 S- 0 0 75 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.487 123.0-103.7 -95.1 -6.7 27.3 -7.4 -8.3 23 23 X G S < S+ 0 0 37 -3,-1.4 2,-0.4 1,-0.3 -2,-0.1 0.605 74.7 141.6 91.7 16.4 26.2 -4.9 -5.7 24 24 X Y - 0 0 78 1,-0.1 -4,-2.8 9,-0.0 -1,-0.3 -0.760 60.7-101.0 -98.1 136.6 26.5 -7.3 -2.8 25 25 X Y E +A 19 0A 35 11,-0.4 8,-2.5 -2,-0.4 9,-1.3 -0.297 55.2 162.9 -57.5 128.2 27.8 -6.3 0.7 26 26 X T E -AB 18 32A 2 -8,-3.6 -8,-2.9 6,-0.2 2,-0.3 -0.884 19.5-165.6-144.5 160.7 31.3 -7.4 1.1 27 27 X I E > - B 0 31A 0 4,-1.6 4,-2.0 -2,-0.3 -12,-0.2 -0.984 51.9 -3.4-150.0 159.9 34.4 -6.8 3.3 28 28 X G E 4 S-A 14 0A 1 -14,-2.7 -14,-1.5 -2,-0.3 2,-1.0 -0.381 123.8 -2.7 68.0-128.0 38.2 -7.4 3.4 29 29 X I T 4 S- 0 0 4 34,-0.5 -1,-0.2 -16,-0.2 -17,-0.1 -0.680 127.9 -55.1-102.5 75.5 39.6 -9.5 0.5 30 30 X G T 4 S+ 0 0 12 -2,-1.0 2,-1.1 -19,-0.4 -2,-0.2 0.754 81.9 161.9 62.5 28.6 36.4 -10.3 -1.4 31 31 X H E < -B 27 0A 29 -4,-2.0 -4,-1.6 -20,-0.1 2,-0.2 -0.706 33.4-141.9 -81.8 101.6 34.6 -11.9 1.6 32 32 X L E -B 26 0A 73 -2,-1.1 -6,-0.2 -6,-0.2 3,-0.1 -0.452 19.3-175.7 -61.8 125.1 30.9 -11.9 0.6 33 33 X L - 0 0 10 -8,-2.5 2,-0.3 1,-0.4 -7,-0.2 0.875 60.5 -32.1 -88.9 -45.8 28.8 -11.0 3.6 34 34 X T - 0 0 32 -9,-1.3 -1,-0.4 2,-0.1 -9,-0.3 -0.972 34.8-131.9-167.9 158.0 25.3 -11.5 2.1 35 35 X K S S+ 0 0 111 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.379 76.2 114.6 -93.9 -0.2 23.3 -11.1 -1.1 36 36 X S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.472 70.4-136.9 -72.4 138.2 20.6 -9.2 0.9 37 37 X P S S+ 0 0 124 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.401 77.0 104.2 -74.0 5.0 20.0 -5.6 0.2 38 38 X S > - 0 0 51 1,-0.2 4,-1.4 -13,-0.0 -2,-0.1 -0.788 56.4-162.9 -93.3 121.3 19.9 -4.9 3.9 39 39 X L H > S+ 0 0 70 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.859 94.0 55.2 -67.6 -37.1 23.0 -3.2 5.4 40 40 X N H > S+ 0 0 125 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.858 105.6 52.9 -62.3 -37.2 22.0 -4.3 8.9 41 41 X A H > S+ 0 0 33 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.871 109.9 48.6 -63.7 -38.9 21.8 -7.9 7.7 42 42 X A H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.894 109.5 51.1 -68.2 -43.0 25.4 -7.6 6.3 43 43 X K H X S+ 0 0 57 -4,-2.4 4,-2.3 2,-0.2 11,-0.3 0.857 109.1 52.5 -62.0 -37.4 26.7 -6.1 9.6 44 44 X S H X S+ 0 0 70 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.910 109.5 48.2 -61.6 -45.2 25.1 -9.0 11.4 45 45 X E H X S+ 0 0 69 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.868 111.3 51.3 -64.0 -38.7 26.9 -11.5 9.1 46 46 X L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.920 109.7 47.9 -64.5 -47.4 30.2 -9.6 9.7 47 47 X D H X>S+ 0 0 34 -4,-2.3 4,-2.7 1,-0.2 5,-1.0 0.885 112.5 50.8 -60.5 -41.0 29.8 -9.7 13.5 48 48 X K H <5S+ 0 0 143 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.907 112.9 45.3 -61.2 -46.3 29.0 -13.5 13.2 49 49 X A H <5S+ 0 0 43 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.866 121.3 37.5 -67.0 -39.4 32.1 -14.1 11.0 50 50 X I H <5S- 0 0 38 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.777 101.8-127.7 -86.0 -30.9 34.5 -12.0 13.2 51 51 X G T <5S+ 0 0 70 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.737 77.6 67.7 87.6 25.3 33.0 -13.0 16.7 52 52 X R S - 0 0 11 -2,-1.0 3,-0.8 -11,-0.3 -1,-0.2 0.754 31.4-143.8 -88.4 -29.1 32.5 -4.7 14.4 55 55 X N T 3 S- 0 0 112 1,-0.2 3,-0.1 -12,-0.2 -2,-0.1 0.862 73.2 -54.0 57.2 40.5 30.1 -2.0 13.4 56 56 X G T 3 S+ 0 0 7 -13,-0.2 -39,-1.7 1,-0.1 2,-0.4 0.524 120.3 98.7 79.7 7.4 31.0 -2.5 9.7 57 57 X V B < +C 16 0B 74 -3,-0.8 2,-0.3 -41,-0.2 -41,-0.2 -0.995 44.0 174.5-131.8 130.3 34.8 -2.1 10.3 58 58 X I - 0 0 4 -43,-2.4 2,-0.1 -2,-0.4 -30,-0.1 -0.813 28.6-109.1-124.8 167.8 37.5 -4.8 10.7 59 59 X T > - 0 0 71 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.423 32.2-107.7 -89.1 169.8 41.3 -4.8 11.0 60 60 X K H > S+ 0 0 87 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.881 121.6 52.5 -63.0 -40.6 43.8 -6.1 8.3 61 61 X D H > S+ 0 0 126 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 109.8 48.1 -59.3 -47.5 44.5 -9.2 10.5 62 62 X E H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.885 111.2 50.9 -61.2 -41.5 40.7 -9.9 10.7 63 63 X A H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 -34,-0.5 0.890 111.3 47.8 -62.3 -42.0 40.4 -9.5 6.9 64 64 X E H X S+ 0 0 81 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.812 108.2 55.6 -71.5 -31.2 43.3 -11.8 6.3 65 65 X K H X S+ 0 0 141 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.937 110.6 43.9 -63.8 -48.5 41.8 -14.4 8.7 66 66 X L H X S+ 0 0 4 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.870 112.1 54.8 -61.5 -39.1 38.5 -14.4 6.7 67 67 X F H X S+ 0 0 11 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.935 107.2 49.5 -60.4 -50.6 40.6 -14.6 3.5 68 68 X N H X S+ 0 0 93 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.928 113.4 46.2 -47.3 -53.7 42.4 -17.7 4.7 69 69 X Q H X S+ 0 0 98 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.881 112.6 50.6 -61.9 -40.7 39.1 -19.3 5.6 70 70 X D H X S+ 0 0 36 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.907 112.1 45.3 -65.8 -46.2 37.6 -18.4 2.3 71 71 X V H X S+ 0 0 4 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.955 115.6 47.9 -59.1 -51.8 40.5 -19.7 0.2 72 72 X D H X S+ 0 0 112 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.893 112.6 48.7 -56.2 -45.5 40.5 -22.9 2.3 73 73 X A H X S+ 0 0 61 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.837 109.1 53.6 -64.8 -36.2 36.7 -23.3 2.0 74 74 X A H X S+ 0 0 10 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.943 112.1 43.6 -63.4 -49.1 36.9 -22.8 -1.8 75 75 X V H X S+ 0 0 31 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.945 114.4 49.4 -59.6 -51.0 39.6 -25.6 -2.2 76 76 X R H X S+ 0 0 26 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.826 110.1 52.5 -61.0 -34.8 37.7 -27.9 0.1 77 77 X G H < S+ 0 0 13 -4,-1.9 3,-0.5 2,-0.2 4,-0.4 0.909 107.0 51.7 -65.2 -46.4 34.5 -27.3 -1.8 78 78 X I H >< S+ 0 0 3 -4,-2.1 3,-1.4 1,-0.2 7,-0.5 0.926 109.0 50.9 -52.8 -48.6 36.1 -28.1 -5.1 79 79 X L H 3< S+ 0 0 70 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.710 110.8 48.9 -67.5 -21.9 37.4 -31.4 -3.7 80 80 X R T 3< S+ 0 0 209 -4,-0.9 2,-0.6 -3,-0.5 -1,-0.3 0.382 92.2 93.4 -96.2 0.3 33.9 -32.3 -2.4 81 81 X N <> - 0 0 25 -3,-1.4 4,-2.8 -4,-0.4 -4,-0.0 -0.874 66.9-151.3 -98.6 119.4 32.3 -31.5 -5.8 82 82 X A T 4 S+ 0 0 93 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.753 95.8 42.5 -60.6 -29.0 32.0 -34.6 -8.0 83 83 X K T > S+ 0 0 84 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.835 119.8 39.9 -86.2 -36.1 32.2 -32.5 -11.2 84 84 X L H > S+ 0 0 7 -6,-0.2 4,-2.8 2,-0.1 3,-0.2 0.858 102.1 68.5 -84.7 -37.7 35.0 -30.1 -10.2 85 85 X K H X S+ 0 0 87 -4,-2.8 4,-3.0 -7,-0.5 5,-0.2 0.895 99.3 47.5 -51.0 -53.7 37.3 -32.5 -8.3 86 86 X P H > S+ 0 0 52 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.876 115.4 45.6 -61.2 -36.9 38.4 -34.6 -11.4 87 87 X V H X S+ 0 0 10 -4,-0.6 4,-0.8 -3,-0.2 3,-0.2 0.941 115.0 47.9 -68.3 -47.1 39.2 -31.5 -13.5 88 88 X Y H >< S+ 0 0 28 -4,-2.8 3,-1.3 1,-0.2 -3,-0.2 0.930 111.1 50.1 -55.3 -51.9 41.0 -29.8 -10.5 89 89 X D H 3< S+ 0 0 68 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.778 106.6 56.5 -59.6 -30.1 43.1 -33.0 -9.8 90 90 X S H 3< S+ 0 0 34 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.669 96.5 87.2 -75.3 -18.6 44.0 -33.2 -13.5 91 91 X L S << S- 0 0 9 -3,-1.3 2,-0.1 -4,-0.8 31,-0.0 -0.374 78.6-116.7 -84.1 157.9 45.5 -29.7 -13.4 92 92 X D > - 0 0 54 -2,-0.1 4,-2.0 1,-0.0 5,-0.1 -0.354 42.3 -94.1 -76.9 171.5 49.0 -28.4 -12.5 93 93 X A H > S+ 0 0 79 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.830 122.3 51.3 -60.3 -38.8 49.4 -26.1 -9.5 94 94 X V H > S+ 0 0 31 2,-0.2 4,-1.2 1,-0.2 3,-0.4 0.946 113.8 42.6 -67.5 -48.6 49.2 -22.8 -11.5 95 95 X R H > S+ 0 0 24 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.796 107.5 62.1 -68.8 -29.2 46.0 -23.7 -13.3 96 96 X R H X S+ 0 0 77 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.854 100.9 53.5 -60.1 -37.6 44.6 -25.1 -10.0 97 97 X A H X S+ 0 0 6 -4,-1.3 4,-2.5 -3,-0.4 -2,-0.2 0.868 106.1 51.9 -64.7 -37.8 45.0 -21.5 -8.6 98 98 X A H X S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.861 109.2 51.3 -63.7 -37.0 42.9 -20.3 -11.6 99 99 X A H X S+ 0 0 16 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.919 110.8 46.5 -63.9 -47.5 40.3 -22.9 -10.6 100 100 X I H X S+ 0 0 9 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.908 108.9 57.1 -60.8 -44.1 40.2 -21.7 -7.0 101 101 X N H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.916 107.4 47.3 -52.3 -50.7 40.0 -18.1 -8.2 102 102 X M H X S+ 0 0 5 -4,-1.9 4,-2.7 2,-0.2 5,-0.4 0.924 113.2 47.0 -57.0 -50.9 36.8 -18.8 -10.2 103 103 X V H X S+ 0 0 12 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.890 110.0 54.7 -60.6 -42.1 35.1 -20.7 -7.3 104 104 X F H < S+ 0 0 30 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.883 115.5 39.2 -55.1 -42.3 36.0 -17.9 -4.9 105 105 X Q H < S+ 0 0 49 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.896 133.7 15.0 -79.5 -44.0 34.4 -15.3 -7.2 106 106 X M H < S- 0 0 52 -4,-2.7 4,-0.5 1,-0.2 -3,-0.2 0.449 102.8-115.8-117.7 -3.3 31.2 -17.1 -8.5 107 107 X G X - 0 0 31 -4,-2.1 4,-1.5 -5,-0.4 -1,-0.2 0.037 35.6 -73.1 83.3 163.0 30.8 -20.1 -6.2 108 108 X E H > S+ 0 0 63 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.876 128.5 51.1 -59.9 -42.5 30.8 -23.8 -6.8 109 109 X T H > S+ 0 0 121 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.791 104.0 56.0 -68.5 -46.1 27.7 -23.9 -8.5 110 110 X G H 4 S+ 0 0 32 -4,-0.5 3,-0.4 -3,-0.2 -1,-0.2 0.884 110.7 46.4 -52.9 -43.2 28.5 -21.2 -10.9 111 111 X V H >< S+ 0 0 10 -4,-1.5 3,-2.5 1,-0.2 -2,-0.2 0.856 99.9 66.3 -72.3 -37.8 31.6 -23.0 -12.1 112 112 X A H 3< S+ 0 0 21 -4,-2.0 3,-0.2 1,-0.3 -1,-0.2 0.752 91.9 64.6 -58.8 -24.8 29.9 -26.4 -12.5 113 113 X G T 3< S+ 0 0 64 -4,-0.8 -1,-0.3 -3,-0.4 3,-0.3 0.360 79.8 83.0 -77.6 3.8 27.8 -24.9 -15.3 114 114 X F <> + 0 0 30 -3,-2.5 4,-3.3 1,-0.2 3,-0.4 -0.244 55.1 144.8 -95.2 41.8 31.1 -24.5 -17.3 115 115 X T H > + 0 0 77 1,-0.3 4,-1.8 -3,-0.2 -1,-0.2 0.844 68.6 46.1 -50.8 -45.3 30.7 -28.2 -18.3 116 116 X N H > S+ 0 0 84 -3,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.841 114.8 46.6 -70.6 -36.0 32.2 -27.6 -21.8 117 117 X S H > S+ 0 0 1 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.907 110.0 54.9 -68.6 -44.5 35.1 -25.6 -20.4 118 118 X L H X S+ 0 0 19 -4,-3.3 4,-1.9 2,-0.2 -2,-0.2 0.861 109.1 47.4 -55.7 -44.8 35.7 -28.2 -17.7 119 119 X R H X S+ 0 0 107 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.915 112.0 49.0 -62.4 -46.2 35.9 -31.0 -20.3 120 120 X M H <>S+ 0 0 37 -4,-1.7 5,-2.7 1,-0.2 4,-0.4 0.845 111.3 51.2 -61.8 -37.3 38.4 -28.9 -22.5 121 121 X L H ><5S+ 0 0 5 -4,-2.6 3,-0.5 3,-0.2 -1,-0.2 0.880 109.9 48.6 -68.0 -39.8 40.5 -28.2 -19.4 122 122 X Q H 3<5S+ 0 0 88 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.835 111.3 49.5 -68.6 -33.7 40.6 -31.9 -18.5 123 123 X Q T 3<5S- 0 0 89 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.546 113.6-124.3 -77.3 -10.3 41.6 -32.8 -22.1 124 124 X K T < 5 + 0 0 95 -3,-0.5 2,-1.3 -4,-0.4 -3,-0.2 0.809 59.9 149.2 66.0 34.9 44.3 -30.1 -21.8 125 125 X R >< + 0 0 117 -5,-2.7 4,-2.6 1,-0.2 -1,-0.2 -0.714 20.9 175.5 -92.9 79.6 43.0 -28.2 -24.9 126 126 X W H > + 0 0 49 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.837 68.7 45.8 -64.9 -44.1 44.1 -24.9 -23.4 127 127 X D H > S+ 0 0 109 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 115.5 48.4 -67.1 -42.5 43.3 -22.5 -26.2 128 128 X E H > S+ 0 0 103 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.910 111.2 49.1 -61.1 -46.0 39.9 -24.0 -26.8 129 129 X A H X S+ 0 0 0 -4,-2.6 4,-2.8 -9,-0.2 -2,-0.2 0.916 109.8 52.8 -59.4 -44.7 39.1 -23.9 -23.1 130 130 X A H X S+ 0 0 9 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.876 110.7 47.1 -60.4 -41.2 40.2 -20.2 -23.0 131 131 X V H X S+ 0 0 85 -4,-2.0 4,-0.5 2,-0.2 3,-0.3 0.921 114.6 46.7 -63.9 -46.5 37.9 -19.5 -25.9 132 132 X N H >< S+ 0 0 38 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.857 107.4 56.9 -66.3 -36.8 35.0 -21.3 -24.3 133 133 X L H 3< S+ 0 0 2 -4,-2.8 6,-0.4 1,-0.2 -1,-0.2 0.829 102.5 55.2 -63.6 -34.3 35.6 -19.7 -20.8 134 134 X A H 3< S+ 0 0 27 -4,-1.1 2,-1.7 -3,-0.3 -1,-0.2 0.628 86.1 83.0 -77.1 -15.0 35.2 -16.2 -22.3 135 135 X K S << S+ 0 0 158 -3,-0.8 2,-0.3 -4,-0.5 -1,-0.2 -0.505 82.2 95.8 -84.0 65.9 31.7 -17.1 -23.8 136 136 X S S > S- 0 0 19 -2,-1.7 4,-1.8 1,-0.1 5,-0.1 -0.978 86.5-115.8-154.5 156.3 30.1 -16.3 -20.4 137 137 X R H > S+ 0 0 145 -2,-0.3 4,-2.8 2,-0.2 5,-0.3 0.897 115.7 62.0 -59.1 -42.5 28.3 -13.8 -18.2 138 138 X W H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.898 106.2 42.6 -49.4 -51.1 31.4 -14.0 -16.0 139 139 X Y H 4 S+ 0 0 57 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.907 115.0 50.0 -64.3 -44.5 33.7 -12.7 -18.7 140 140 X N H < S+ 0 0 110 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.843 116.3 40.3 -67.2 -34.9 31.3 -10.0 -19.9 141 141 X Q H < S+ 0 0 110 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.863 133.4 21.8 -82.3 -39.0 30.7 -8.6 -16.4 142 142 X T S X S+ 0 0 17 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 -0.566 73.8 159.1-126.6 69.9 34.3 -8.8 -15.2 143 143 X P H > S+ 0 0 47 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.869 71.3 49.5 -63.3 -42.6 36.4 -8.9 -18.4 144 144 X N H > S+ 0 0 112 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.926 116.9 40.7 -65.4 -45.8 39.8 -7.8 -17.0 145 145 X R H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 116.4 50.5 -64.5 -46.1 39.8 -10.2 -14.1 146 146 X A H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.882 107.0 54.6 -61.1 -41.2 38.4 -13.0 -16.3 147 147 X K H X S+ 0 0 89 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.895 109.4 48.0 -56.9 -44.2 41.1 -12.3 -18.9 148 148 X R H X S+ 0 0 68 -4,-1.6 4,-1.7 2,-0.2 12,-0.2 0.904 114.6 44.5 -62.7 -45.2 43.8 -12.8 -16.2 149 149 X V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.913 114.9 48.7 -67.8 -43.5 42.2 -16.0 -14.9 150 150 X I H X S+ 0 0 13 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.864 109.3 52.6 -62.4 -40.7 41.7 -17.4 -18.5 151 151 X T H X S+ 0 0 36 -4,-2.3 4,-2.7 2,-0.2 5,-0.4 0.876 108.1 51.8 -62.9 -38.6 45.3 -16.5 -19.4 152 152 X T H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.907 112.7 45.2 -63.5 -43.5 46.4 -18.5 -16.4 153 153 X F H < S+ 0 0 6 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.869 116.0 47.2 -63.6 -41.7 44.3 -21.4 -17.6 154 154 X R H < S+ 0 0 103 -4,-2.7 -2,-0.2 1,-0.1 -1,-0.2 0.895 127.7 22.1 -68.2 -42.3 45.6 -21.0 -21.2 155 155 X T H < S- 0 0 42 -4,-2.7 -3,-0.2 2,-0.2 -2,-0.2 0.733 85.1-134.5-102.3 -29.8 49.3 -20.7 -20.3 156 156 X G S < S+ 0 0 18 -4,-2.2 2,-0.3 -5,-0.4 -62,-0.2 0.794 72.9 108.4 68.7 28.9 49.9 -22.3 -16.9 157 157 X T S S- 0 0 45 -6,-0.4 -1,-0.3 -5,-0.2 3,-0.3 -0.789 78.9-123.8-125.7 170.9 52.0 -19.3 -16.1 158 158 X W S > S+ 0 0 61 -2,-0.3 3,-1.8 1,-0.2 4,-0.3 0.024 70.5 122.5-100.6 23.8 51.6 -16.2 -13.8 159 159 X D G > + 0 0 124 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.826 68.5 56.1 -58.1 -36.1 52.2 -13.8 -16.8 160 160 X A G 3 S+ 0 0 32 -3,-0.3 -1,-0.3 -12,-0.2 -12,-0.1 0.580 109.7 47.1 -74.1 -10.0 48.8 -12.0 -16.3 161 161 X Y G < 0 0 18 -3,-1.8 -1,-0.2 -13,-0.1 -2,-0.2 0.291 360.0 360.0-114.5 7.6 49.7 -11.2 -12.7 162 162 X K < 0 0 110 -3,-1.0 -2,-0.2 -4,-0.3 -3,-0.1 0.840 360.0 360.0 -99.2 360.0 53.3 -9.9 -13.2