==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-SEP-07 2RB0 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR A.P.GRAVES,S.E.BOYCE,B.K.SHOICHET . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8812.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 69.1 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 . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 50.6 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 0 1 2 1 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 79 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 147.9 -7.3 16.0 -9.0 2 2 X N > - 0 0 67 156,-0.0 4,-2.8 95,-0.0 5,-0.2 -0.922 360.0 -78.4-165.9 175.8 -9.8 18.4 -10.6 3 3 X I H > S+ 0 0 25 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.823 127.0 51.5 -56.0 -36.2 -13.6 18.6 -11.1 4 4 X F H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.957 113.7 41.4 -66.3 -51.7 -13.5 16.2 -14.1 5 5 X E H > S+ 0 0 95 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.869 115.1 54.4 -62.3 -38.3 -11.5 13.5 -12.3 6 6 X M H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.947 112.0 40.7 -60.4 -53.8 -13.6 14.1 -9.1 7 7 X L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.4 0.812 109.6 60.0 -69.1 -30.3 -17.0 13.6 -10.9 8 8 X R H X S+ 0 0 103 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.892 108.5 45.6 -62.6 -40.2 -15.6 10.6 -12.9 9 9 X I H < S+ 0 0 89 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.949 118.1 42.3 -63.2 -49.9 -14.9 8.9 -9.5 10 10 X D H < S+ 0 0 22 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.828 125.7 32.4 -69.6 -33.6 -18.3 9.8 -8.0 11 11 X E H < S- 0 0 42 -4,-2.9 19,-0.4 1,-0.1 -3,-0.2 0.717 92.0-155.5 -98.3 -25.8 -20.4 9.0 -11.2 12 12 X G < - 0 0 22 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.1 -0.195 24.9 -85.7 73.1-173.3 -18.4 6.2 -12.8 13 13 X L + 0 0 44 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.952 44.8 167.8-138.4 118.1 -18.6 5.4 -16.5 14 14 X R E -A 28 0A 145 14,-1.8 14,-2.6 -2,-0.4 4,-0.1 -0.997 20.6-161.4-132.8 131.3 -21.3 3.2 -18.1 15 15 X L E S+ 0 0 66 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.545 73.9 62.1 -91.6 -11.1 -21.8 3.0 -21.9 16 16 X K E S-C 57 0B 68 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.873 101.6 -84.4-113.4 151.1 -25.3 1.5 -21.8 17 17 X I E + 0 0 33 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.276 58.4 167.3 -52.8 128.5 -28.5 3.2 -20.3 18 18 X Y E -A 26 0A 27 8,-2.7 8,-2.9 -4,-0.1 2,-0.4 -0.887 37.5-104.1-135.1 168.2 -28.6 2.5 -16.6 19 19 X K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.831 34.3-136.4 -96.0 135.7 -30.7 3.8 -13.7 20 20 X D > - 0 0 44 4,-2.7 3,-1.8 -2,-0.4 -1,-0.1 -0.007 42.6 -76.4 -75.2-171.6 -29.0 6.2 -11.3 21 21 X T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.724 134.6 49.9 -61.9 -23.0 -29.3 6.2 -7.5 22 22 X E T 3 S- 0 0 74 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.442 122.7-103.0 -94.8 -2.4 -32.8 7.7 -7.7 23 23 X G S < S+ 0 0 36 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.548 76.0 138.6 90.8 12.5 -34.0 5.2 -10.3 24 24 X Y - 0 0 77 1,-0.1 -4,-2.7 9,-0.0 -1,-0.3 -0.725 61.4-102.0 -97.5 139.7 -33.7 7.5 -13.3 25 25 X Y E +A 19 0A 35 11,-0.4 8,-2.7 9,-0.4 9,-1.3 -0.341 54.5 159.4 -61.4 133.0 -32.4 6.6 -16.7 26 26 X T E -AB 18 32A 2 -8,-2.9 -8,-2.7 6,-0.3 2,-0.3 -0.898 19.6-166.3-150.6 158.8 -28.9 7.8 -17.2 27 27 X I E > + B 0 31A 0 4,-1.8 4,-2.4 -2,-0.3 2,-0.2 -0.977 51.3 2.7-149.0 162.8 -25.8 7.1 -19.4 28 28 X G E 4 S-A 14 0A 1 -14,-2.6 -14,-1.8 -2,-0.3 2,-1.0 -0.394 123.6 -3.6 73.5-129.5 -22.1 7.8 -19.5 29 29 X I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.675 128.8 -54.3-101.4 73.5 -20.6 9.7 -16.7 30 30 X G T 4 S+ 0 0 11 -2,-1.0 2,-1.0 -19,-0.4 -2,-0.2 0.803 81.7 164.1 65.1 32.6 -23.8 10.5 -14.8 31 31 X H E < -B 27 0A 32 -4,-2.4 -4,-1.8 -20,-0.1 -1,-0.2 -0.721 31.8-142.3 -85.1 102.3 -25.7 12.0 -17.6 32 32 X L E -B 26 0A 73 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.436 18.0-174.2 -61.6 125.2 -29.3 12.1 -16.6 33 33 X L - 0 0 12 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.884 58.9 -34.6 -88.9 -46.2 -31.5 11.3 -19.6 34 34 X T - 0 0 34 -9,-1.3 -1,-0.4 2,-0.1 -9,-0.4 -0.962 35.5-130.2-169.3 158.8 -34.9 11.8 -18.2 35 35 X K S S+ 0 0 127 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.364 76.1 113.6 -97.5 0.4 -37.0 11.4 -15.0 36 36 X S S S- 0 0 40 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.484 70.1-137.4 -66.9 137.5 -39.7 9.6 -17.1 37 37 X P S S+ 0 0 123 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.481 75.9 105.7 -74.8 -0.6 -40.1 5.9 -16.2 38 38 X S > - 0 0 52 1,-0.2 4,-1.9 2,-0.0 -2,-0.1 -0.721 56.1-163.1 -86.9 115.6 -40.3 5.2 -20.0 39 39 X L H > S+ 0 0 66 -2,-0.6 4,-2.8 2,-0.2 5,-0.2 0.864 93.9 56.5 -62.8 -37.7 -37.2 3.6 -21.4 40 40 X N H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 106.5 50.0 -58.7 -41.5 -38.3 4.5 -25.0 41 41 X A H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.898 111.0 49.0 -62.7 -42.1 -38.5 8.2 -23.8 42 42 X A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.914 109.5 51.6 -63.2 -44.8 -34.9 7.8 -22.4 43 43 X K H X S+ 0 0 63 -4,-2.8 4,-2.3 2,-0.2 11,-0.2 0.863 108.5 52.6 -58.4 -38.9 -33.7 6.3 -25.6 44 44 X S H X S+ 0 0 67 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.937 109.1 48.7 -61.7 -48.3 -35.2 9.3 -27.5 45 45 X E H X S+ 0 0 65 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.879 110.5 52.2 -58.7 -39.9 -33.4 11.7 -25.2 46 46 X L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.948 108.6 48.4 -62.6 -51.4 -30.1 9.8 -25.8 47 47 X D H X>S+ 0 0 39 -4,-2.3 4,-2.3 1,-0.2 5,-1.1 0.870 112.9 49.5 -57.4 -40.2 -30.4 9.9 -29.6 48 48 X K H <5S+ 0 0 139 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.876 111.5 49.2 -64.9 -40.7 -31.1 13.6 -29.4 49 49 X A H <5S+ 0 0 39 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.866 120.4 34.5 -67.6 -38.9 -28.1 14.2 -27.1 50 50 X I H <5S- 0 0 36 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.770 103.8-125.3 -88.8 -31.2 -25.6 12.3 -29.3 51 51 X G T <5S+ 0 0 67 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.755 76.7 68.5 87.7 29.5 -27.1 13.2 -32.7 52 52 X R S - 0 0 9 -2,-1.2 3,-1.2 -11,-0.2 -1,-0.2 0.727 32.3-145.0 -87.0 -25.9 -27.7 4.9 -30.7 55 55 X N T 3 S- 0 0 117 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.841 73.9 -54.6 56.3 35.2 -30.1 2.1 -29.7 56 56 X G T 3 S+ 0 0 7 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.502 119.0 98.2 83.5 4.7 -29.2 2.7 -26.0 57 57 X V B < +C 16 0B 69 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.988 43.8 176.8-129.4 136.6 -25.4 2.4 -26.4 58 58 X I - 0 0 3 -43,-2.5 2,-0.1 -2,-0.4 -30,-0.1 -0.828 27.0-110.5-127.5 168.5 -22.7 5.0 -26.7 59 59 X T > - 0 0 70 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.467 32.3-107.2 -92.3 169.7 -18.9 5.1 -26.9 60 60 X K H > S+ 0 0 113 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.893 121.1 53.5 -61.0 -42.7 -16.4 6.4 -24.3 61 61 X D H > S+ 0 0 125 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 109.9 47.7 -58.1 -46.3 -15.7 9.5 -26.5 62 62 X E H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.884 111.2 51.4 -61.2 -41.1 -19.4 10.2 -26.7 63 63 X A H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -34,-0.4 0.928 111.3 47.0 -61.0 -47.0 -19.7 9.8 -22.9 64 64 X E H X S+ 0 0 86 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.843 109.2 55.2 -66.3 -34.7 -16.8 12.2 -22.3 65 65 X K H X S+ 0 0 140 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.945 110.8 43.5 -62.0 -49.2 -18.3 14.7 -24.7 66 66 X L H X S+ 0 0 8 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.905 112.9 54.5 -61.5 -41.9 -21.6 14.8 -22.9 67 67 X F H X S+ 0 0 11 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.928 107.1 49.0 -56.7 -50.2 -19.7 14.9 -19.6 68 68 X N H X S+ 0 0 93 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.896 113.5 47.6 -57.6 -42.9 -17.7 18.0 -20.7 69 69 X Q H X S+ 0 0 99 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.899 111.5 50.8 -63.0 -41.5 -20.9 19.7 -21.7 70 70 X D H X S+ 0 0 36 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.903 111.4 46.4 -67.2 -43.6 -22.6 18.7 -18.4 71 71 X V H X S+ 0 0 6 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.943 113.2 50.0 -61.5 -49.2 -19.8 20.1 -16.3 72 72 X D H X S+ 0 0 90 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.950 113.4 45.8 -52.0 -55.0 -19.7 23.3 -18.4 73 73 X A H X S+ 0 0 66 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.829 111.0 54.0 -59.4 -38.5 -23.5 23.8 -18.0 74 74 X A H X S+ 0 0 12 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.964 113.1 40.1 -61.4 -54.3 -23.3 23.0 -14.3 75 75 X V H X S+ 0 0 31 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.898 114.6 52.9 -66.8 -38.7 -20.7 25.7 -13.5 76 76 X R H X S+ 0 0 123 -4,-2.6 4,-1.3 -5,-0.3 -1,-0.2 0.883 107.1 53.7 -62.5 -37.6 -22.3 28.3 -15.9 77 77 X G H < S+ 0 0 12 -4,-1.9 4,-0.5 -5,-0.2 -1,-0.2 0.878 105.0 54.1 -61.7 -41.8 -25.6 27.7 -14.1 78 78 X I H >< S+ 0 0 4 -4,-1.7 3,-1.2 1,-0.2 7,-0.5 0.924 108.3 49.0 -57.1 -47.1 -23.9 28.5 -10.7 79 79 X L H 3< S+ 0 0 65 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.766 111.3 50.5 -66.4 -25.6 -22.7 31.8 -12.1 80 80 X R T 3< S+ 0 0 178 -4,-1.3 2,-0.7 -5,-0.2 -1,-0.3 0.447 92.0 90.7 -91.2 -3.0 -26.2 32.6 -13.4 81 81 X N <> - 0 0 35 -3,-1.2 4,-3.0 -4,-0.5 3,-0.1 -0.869 68.1-151.2 -99.1 115.6 -27.8 31.8 -10.1 82 82 X A T 4 S+ 0 0 93 -2,-0.7 -1,-0.1 1,-0.2 -4,-0.0 0.753 96.1 43.2 -56.5 -30.6 -28.0 35.0 -7.9 83 83 X K T > S+ 0 0 106 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.874 119.5 40.5 -81.9 -40.4 -27.8 32.9 -4.7 84 84 X L H > S+ 0 0 16 1,-0.2 4,-2.8 -6,-0.2 3,-0.3 0.857 101.3 69.0 -80.6 -38.4 -25.0 30.5 -5.7 85 85 X K H X S+ 0 0 95 -4,-3.0 4,-2.9 -7,-0.5 5,-0.2 0.892 98.5 48.0 -50.6 -53.3 -22.7 32.9 -7.6 86 86 X P H > S+ 0 0 57 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.878 114.9 46.0 -62.2 -35.7 -21.5 34.9 -4.6 87 87 X V H X S+ 0 0 9 -4,-0.6 4,-0.9 -3,-0.3 3,-0.4 0.949 113.9 48.9 -67.8 -48.6 -20.7 31.8 -2.5 88 88 X Y H >< S+ 0 0 29 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.932 110.7 50.0 -54.2 -49.7 -19.0 30.1 -5.5 89 89 X D H 3< S+ 0 0 77 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.771 106.0 56.9 -64.3 -26.4 -16.8 33.2 -6.2 90 90 X S H 3< S+ 0 0 39 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.684 95.5 88.7 -76.0 -19.7 -15.8 33.4 -2.5 91 91 X L S << S- 0 0 6 -3,-1.2 2,-0.1 -4,-0.9 31,-0.0 -0.419 78.6-118.6 -81.4 153.8 -14.4 29.9 -2.6 92 92 X D > - 0 0 55 -2,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.388 42.0 -96.0 -73.8 167.5 -11.0 28.6 -3.6 93 93 X A H > S+ 0 0 78 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.783 121.9 53.0 -63.3 -33.9 -10.7 26.3 -6.6 94 94 X V H > S+ 0 0 31 2,-0.2 4,-1.4 1,-0.2 3,-0.4 0.969 113.8 42.3 -66.7 -50.9 -10.7 23.0 -4.6 95 95 X R H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.807 107.3 62.9 -64.9 -30.9 -13.9 24.0 -2.8 96 96 X R H X S+ 0 0 81 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.885 100.7 53.0 -57.6 -40.2 -15.3 25.3 -6.1 97 97 X A H X S+ 0 0 6 -4,-1.4 4,-2.5 -3,-0.4 -2,-0.2 0.910 105.8 52.8 -62.9 -42.5 -15.1 21.7 -7.4 98 98 X A H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.893 108.9 51.1 -56.7 -41.8 -17.1 20.5 -4.4 99 99 X A H X S+ 0 0 18 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.922 110.6 46.9 -61.0 -47.4 -19.8 23.1 -5.3 100 100 X I H X S+ 0 0 8 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.882 107.5 58.5 -64.1 -38.2 -19.9 21.9 -8.9 101 101 X N H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.945 106.5 47.3 -55.0 -52.4 -20.1 18.3 -7.8 102 102 X M H X S+ 0 0 11 -4,-1.9 4,-3.1 1,-0.2 5,-0.4 0.909 113.3 47.4 -55.9 -47.2 -23.3 19.0 -5.7 103 103 X V H X S+ 0 0 13 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.877 109.1 54.4 -65.6 -39.3 -25.0 20.9 -8.6 104 104 X F H < S+ 0 0 31 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.943 117.4 37.3 -55.4 -47.9 -24.0 18.1 -11.1 105 105 X Q H < S+ 0 0 50 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.918 134.2 18.5 -72.8 -46.5 -25.8 15.6 -8.8 106 106 X M H X S- 0 0 40 -4,-3.1 4,-0.9 1,-0.2 -3,-0.2 0.625 93.7-135.8-104.9 -18.4 -28.8 17.5 -7.5 107 107 X G T < - 0 0 26 -4,-2.1 4,-0.5 -5,-0.4 -1,-0.2 -0.154 43.0 -68.3 75.5 177.9 -29.3 20.4 -9.9 108 108 X E T >4 S+ 0 0 71 2,-0.2 3,-0.6 1,-0.2 4,-0.2 0.840 137.3 53.6 -72.7 -34.6 -30.0 24.0 -8.7 109 109 X T G >4 S+ 0 0 123 1,-0.2 3,-1.2 2,-0.2 4,-0.2 0.886 104.2 57.9 -62.3 -40.0 -33.4 23.0 -7.4 110 110 X G G 3< S+ 0 0 29 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.648 109.3 43.6 -66.9 -18.5 -31.8 20.2 -5.4 111 111 X V G X S+ 0 0 11 -3,-0.6 3,-1.3 -4,-0.5 -1,-0.2 0.287 82.0 98.7-111.2 10.2 -29.6 22.7 -3.6 112 112 X A T < S+ 0 0 69 -3,-1.2 3,-0.4 1,-0.3 -1,-0.1 0.663 80.7 56.7 -71.2 -17.8 -32.2 25.4 -2.8 113 113 X G T 3 S+ 0 0 73 -4,-0.2 3,-0.4 -3,-0.2 -1,-0.3 0.448 85.9 83.6 -88.7 -1.2 -32.7 24.1 0.7 114 114 X F <> + 0 0 27 -3,-1.3 4,-2.9 1,-0.2 5,-0.2 0.132 50.0 123.6 -91.5 20.8 -28.9 24.5 1.4 115 115 X T H > S+ 0 0 81 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.855 75.8 45.3 -46.2 -49.3 -29.3 28.3 2.3 116 116 X N H > S+ 0 0 80 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.881 113.1 49.4 -70.0 -39.4 -27.8 27.9 5.8 117 117 X S H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.910 109.7 53.5 -60.7 -44.3 -24.9 25.7 4.5 118 118 X L H X S+ 0 0 33 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.888 107.9 49.5 -58.5 -43.6 -24.2 28.3 1.8 119 119 X R H X S+ 0 0 116 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.941 111.4 48.8 -60.9 -47.6 -24.0 31.1 4.4 120 120 X M H <>S+ 0 0 26 -4,-2.0 5,-2.6 1,-0.2 4,-0.4 0.852 111.1 50.7 -62.5 -38.2 -21.6 29.1 6.5 121 121 X L H ><5S+ 0 0 7 -4,-2.4 3,-1.2 2,-0.2 -1,-0.2 0.925 110.1 48.2 -64.8 -46.5 -19.4 28.3 3.4 122 122 X Q H 3<5S+ 0 0 91 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.862 111.7 51.5 -61.6 -33.7 -19.3 32.0 2.4 123 123 X Q T 3<5S- 0 0 79 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.580 111.3-127.8 -75.9 -12.2 -18.3 32.8 6.0 124 124 X K T < 5 + 0 0 95 -3,-1.2 2,-1.4 -4,-0.4 -3,-0.2 0.781 58.7 148.1 63.9 31.0 -15.6 30.1 5.7 125 125 X R >< + 0 0 123 -5,-2.6 4,-2.8 1,-0.2 -1,-0.2 -0.675 22.5 175.7 -89.6 77.1 -16.9 28.4 8.9 126 126 X W H > + 0 0 48 -2,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.832 68.0 44.2 -64.9 -44.7 -15.7 25.1 7.4 127 127 X D H > S+ 0 0 106 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 116.3 47.6 -65.5 -45.3 -16.4 22.7 10.3 128 128 X E H > S+ 0 0 107 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.919 111.9 50.4 -61.0 -45.9 -19.9 24.2 10.9 129 129 X A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.924 109.0 52.3 -56.2 -47.1 -20.7 24.1 7.2 130 130 X A H X S+ 0 0 9 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.870 110.4 47.4 -58.0 -43.7 -19.7 20.4 7.1 131 131 X V H < S+ 0 0 85 -4,-2.0 4,-0.4 2,-0.2 3,-0.3 0.929 113.8 48.2 -61.7 -47.3 -22.0 19.6 10.0 132 132 X N H >< S+ 0 0 37 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.885 106.6 56.2 -61.1 -42.4 -24.9 21.5 8.4 133 133 X L H 3< S+ 0 0 3 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.814 101.1 58.2 -60.6 -34.5 -24.4 19.9 5.0 134 134 X A T 3< S+ 0 0 28 -4,-1.2 2,-1.8 -3,-0.3 -1,-0.3 0.608 83.6 84.0 -73.6 -13.6 -24.8 16.4 6.5 135 135 X K S < S+ 0 0 158 -3,-1.3 2,-0.3 -4,-0.4 -1,-0.2 -0.430 81.0 100.2 -84.0 61.4 -28.2 17.3 7.8 136 136 X S S > S- 0 0 18 -2,-1.8 4,-2.0 1,-0.1 5,-0.1 -0.981 84.4-122.5-151.0 150.2 -29.7 16.4 4.4 137 137 X R H > S+ 0 0 145 -2,-0.3 4,-3.1 2,-0.2 5,-0.4 0.906 115.7 62.9 -55.3 -43.3 -31.6 13.8 2.4 138 138 X W H > S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.920 105.7 42.3 -45.3 -55.2 -28.5 14.1 0.1 139 139 X Y H 4 S+ 0 0 55 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.910 115.8 48.9 -61.7 -45.5 -26.2 12.8 2.9 140 140 X N H < S+ 0 0 112 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.881 117.0 39.9 -66.2 -38.5 -28.7 10.1 4.0 141 141 X Q H < S+ 0 0 111 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.861 133.3 22.4 -81.0 -39.3 -29.3 8.7 0.5 142 142 X T S X S+ 0 0 18 -4,-2.5 4,-2.5 -5,-0.4 -1,-0.2 -0.542 74.2 156.9-125.3 68.1 -25.7 9.0 -0.8 143 143 X P H > S+ 0 0 46 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.856 70.8 51.1 -64.0 -40.7 -23.6 9.0 2.4 144 144 X N H > S+ 0 0 113 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.919 116.8 40.1 -65.1 -44.0 -20.2 7.8 0.9 145 145 X R H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.891 115.4 51.8 -69.6 -41.3 -20.3 10.4 -1.8 146 146 X A H X S+ 0 0 0 -4,-2.5 4,-3.5 -8,-0.2 5,-0.2 0.909 106.9 53.7 -62.6 -43.2 -21.6 13.2 0.4 147 147 X K H X S+ 0 0 95 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.893 109.4 48.9 -56.7 -43.7 -18.8 12.5 3.0 148 148 X R H X S+ 0 0 70 -4,-1.5 4,-1.8 2,-0.2 12,-0.2 0.937 115.0 43.3 -59.6 -50.0 -16.2 12.9 0.2 149 149 X V H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.923 115.1 49.6 -62.9 -46.0 -17.8 16.2 -1.0 150 150 X I H X S+ 0 0 15 -4,-3.5 4,-2.9 1,-0.2 -2,-0.2 0.883 108.5 52.6 -61.7 -42.0 -18.2 17.4 2.6 151 151 X T H X S+ 0 0 37 -4,-2.5 4,-2.7 -5,-0.2 6,-0.4 0.875 107.3 53.3 -60.8 -39.0 -14.6 16.6 3.4 152 152 X T H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.910 112.3 44.1 -61.2 -45.2 -13.5 18.6 0.4 153 153 X F H < S+ 0 0 5 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.894 115.4 49.1 -64.8 -42.0 -15.5 21.6 1.7 154 154 X R H < S+ 0 0 108 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.925 126.4 22.9 -64.9 -43.5 -14.2 21.1 5.3 155 155 X T H < S- 0 0 40 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.722 84.7-135.0-100.2 -27.5 -10.5 20.8 4.3 156 156 X G S < S+ 0 0 17 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.726 74.5 106.0 68.3 21.3 -10.0 22.6 1.0 157 157 X T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.785 80.7-122.1-122.2 169.9 -7.9 19.5 0.0 158 158 X W S >> S+ 0 0 43 -2,-0.3 3,-2.0 1,-0.2 4,-0.6 0.109 70.3 123.2 -96.6 21.3 -8.4 16.5 -2.2 159 159 X D G >4 + 0 0 86 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.824 68.4 56.4 -53.5 -38.9 -7.8 14.0 0.7 160 160 X A G 34 S+ 0 0 32 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.636 110.9 44.9 -70.5 -13.7 -11.2 12.2 0.2 161 161 X Y G <4 0 0 18 -3,-2.0 -1,-0.2 -13,-0.1 -2,-0.2 0.389 360.0 360.0-112.2 -0.1 -10.3 11.4 -3.5 162 162 X K << 0 0 188 -3,-0.9 -2,-0.2 -4,-0.6 -3,-0.1 0.866 360.0 360.0 -92.7 360.0 -6.7 10.2 -3.1