==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 29-AUG-11 3TL4 . COMPND 2 MOLECULE: GLUTAMINYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR T.D.GRANT,E.H.SNELL . 186 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 73.1 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 . 0 0.0 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 . 0 0.0 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 . 6 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 50.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 0 1 2 0 2 1 0 1 1 3 0 0 0 0 0 0 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 X S 0 0 104 0, 0.0 33,-0.1 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 -93.2 31.2 -21.7 32.8 2 3 X S >> - 0 0 39 1,-0.1 4,-2.5 4,-0.0 3,-0.8 -0.244 360.0-107.7 -73.9 158.4 28.4 -23.3 34.8 3 4 X V H 3> S+ 0 0 60 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.807 120.1 56.6 -52.9 -32.1 24.8 -22.1 35.1 4 5 X E H 3> S+ 0 0 121 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.908 109.2 43.6 -69.4 -40.7 25.5 -21.0 38.6 5 6 X E H <> S+ 0 0 92 -3,-0.8 4,-2.3 2,-0.2 5,-0.2 0.944 114.9 49.1 -69.4 -48.0 28.4 -18.8 37.6 6 7 X L H X S+ 0 0 6 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.918 111.9 50.1 -53.8 -47.3 26.5 -17.3 34.6 7 8 X T H X S+ 0 0 55 -4,-2.4 4,-1.9 -5,-0.3 5,-0.2 0.906 109.0 52.0 -58.0 -45.7 23.6 -16.6 36.9 8 9 X Q H X S+ 0 0 123 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.937 111.2 44.8 -60.7 -49.7 25.7 -14.9 39.5 9 10 X L H X S+ 0 0 18 -4,-2.3 4,-1.8 1,-0.2 5,-0.2 0.916 112.2 51.5 -61.9 -46.0 27.4 -12.5 37.1 10 11 X F H <>S+ 0 0 0 -4,-2.0 5,-2.5 1,-0.2 4,-0.2 0.866 112.5 43.5 -63.6 -41.8 24.2 -11.5 35.2 11 12 X S H <5S+ 0 0 50 -4,-1.9 -1,-0.2 3,-0.2 3,-0.2 0.768 110.0 58.8 -76.7 -24.0 22.2 -10.6 38.3 12 13 X Q H <5S+ 0 0 130 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.832 103.2 50.5 -71.0 -33.8 25.2 -8.8 39.7 13 14 X V T <5S- 0 0 17 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.529 131.7 -99.6 -80.9 -4.9 25.3 -6.5 36.7 14 15 X G T 5 + 0 0 25 1,-0.3 -3,-0.2 -4,-0.2 2,-0.2 0.586 67.2 153.8 104.8 11.6 21.6 -6.0 37.5 15 16 X F < - 0 0 16 -5,-2.5 -1,-0.3 1,-0.1 2,-0.1 -0.519 51.5-110.2 -64.5 136.5 19.6 -8.2 35.1 16 17 X E >> - 0 0 134 -2,-0.2 4,-2.7 1,-0.1 3,-0.9 -0.406 24.6-111.0 -72.7 152.6 16.4 -9.0 36.8 17 18 X D H 3> S+ 0 0 121 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.786 116.9 49.7 -56.2 -37.8 15.8 -12.6 38.0 18 19 X K H 3> S+ 0 0 171 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.818 113.1 49.1 -70.9 -30.3 13.1 -13.4 35.4 19 20 X K H <> S+ 0 0 71 -3,-0.9 4,-2.7 2,-0.2 3,-0.2 0.937 108.8 50.7 -74.3 -50.0 15.4 -12.1 32.7 20 21 X V H X S+ 0 0 6 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.862 107.4 55.2 -51.7 -41.9 18.4 -14.0 33.8 21 22 X K H < S+ 0 0 131 -4,-1.6 4,-0.4 -5,-0.2 -1,-0.2 0.891 110.7 45.0 -62.9 -40.0 16.4 -17.2 33.9 22 23 X E H >X S+ 0 0 110 -4,-1.2 3,-1.1 -3,-0.2 4,-0.6 0.922 110.5 54.2 -68.1 -47.0 15.4 -16.7 30.2 23 24 X I H >< S+ 0 0 5 -4,-2.7 3,-1.6 1,-0.2 7,-0.3 0.894 104.2 53.2 -54.8 -46.2 18.9 -15.8 29.1 24 25 X V T 3< S+ 0 0 24 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.604 90.8 76.6 -72.5 -11.2 20.5 -19.0 30.5 25 26 X K T <4 S+ 0 0 143 -3,-1.1 2,-0.8 -4,-0.4 -1,-0.3 0.859 94.8 55.6 -58.2 -35.3 17.9 -21.0 28.5 26 27 X N S S+ 0 0 121 -2,-0.8 4,-1.9 1,-0.2 -1,-0.1 0.769 78.8 53.4 -70.1 -28.6 23.7 -21.3 26.4 28 29 X K H > S+ 0 0 133 2,-0.2 4,-1.8 1,-0.2 35,-0.7 0.963 113.0 43.3 -67.7 -51.6 25.5 -19.9 23.3 29 30 X V H > S+ 0 0 10 33,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.867 112.9 54.3 -59.8 -38.4 24.2 -16.4 23.9 30 31 X S H X S+ 0 0 0 -4,-2.2 4,-2.7 -7,-0.3 -1,-0.2 0.879 105.3 52.9 -62.6 -42.1 24.9 -16.8 27.6 31 32 X D H X S+ 0 0 83 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.897 113.2 43.4 -59.4 -44.4 28.6 -17.7 26.9 32 33 X S H X S+ 0 0 3 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.914 112.0 53.1 -68.6 -43.4 29.0 -14.6 24.7 33 34 X L H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.949 110.2 48.7 -57.5 -49.2 27.2 -12.4 27.3 34 35 X Y H X S+ 0 0 58 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.937 114.4 44.1 -52.6 -53.8 29.5 -13.6 30.0 35 36 X K H X S+ 0 0 58 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.885 114.1 50.5 -65.3 -38.2 32.7 -13.0 28.0 36 37 X L H >< S+ 0 0 0 -4,-3.1 3,-1.1 1,-0.2 -2,-0.2 0.949 111.1 47.9 -63.4 -50.2 31.5 -9.6 26.8 37 38 X I H >< S+ 0 0 6 -4,-3.0 3,-1.0 -5,-0.2 -1,-0.2 0.845 107.4 58.3 -55.8 -35.2 30.6 -8.4 30.3 38 39 X K H 3< S+ 0 0 123 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.660 95.7 62.8 -75.6 -15.2 34.0 -9.7 31.6 39 40 X E T << S+ 0 0 66 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.1 -0.040 89.2 87.5 -99.5 30.9 35.9 -7.4 29.1 40 41 X T S < S- 0 0 18 -3,-1.0 34,-0.0 1,-0.1 4,-0.0 -0.901 96.6 -75.7-119.1 155.6 34.5 -4.3 30.7 41 42 X P > - 0 0 66 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.144 37.3-125.3 -51.6 139.2 36.1 -2.4 33.7 42 43 X S T 3 S+ 0 0 136 1,-0.3 -3,-0.0 -4,-0.1 -2,-0.0 0.797 110.5 45.2 -56.2 -33.1 35.6 -4.1 37.1 43 44 X D T 3 S+ 0 0 139 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.296 82.6 125.4 -98.8 8.9 34.1 -0.9 38.6 44 45 X Y < - 0 0 54 -3,-1.7 2,-0.7 1,-0.1 -4,-0.1 -0.452 55.1-138.6 -68.6 142.3 31.8 -0.1 35.6 45 46 X Q - 0 0 167 -2,-0.1 -32,-0.1 32,-0.1 -1,-0.1 -0.893 14.9-148.1-110.0 108.8 28.2 0.3 36.6 46 47 X W - 0 0 32 -2,-0.7 2,-0.3 4,-0.1 3,-0.0 -0.200 14.7-170.6 -69.2 160.1 25.6 -1.2 34.2 47 48 X N > - 0 0 69 1,-0.0 4,-2.6 0, 0.0 5,-0.3 -0.871 42.5 -88.5-139.8-179.5 22.2 0.2 33.6 48 49 X K H > S+ 0 0 169 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.883 124.1 49.5 -58.6 -39.6 19.0 -0.8 31.8 49 50 X S H > S+ 0 0 51 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.949 115.6 37.8 -66.0 -54.0 20.2 0.7 28.6 50 51 X T H > S+ 0 0 7 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.893 113.4 56.4 -73.8 -36.2 23.7 -0.9 28.4 51 52 X R H X S+ 0 0 50 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.931 111.7 45.1 -52.1 -46.8 22.6 -4.2 29.8 52 53 X A H X S+ 0 0 49 -4,-1.6 4,-2.4 -5,-0.3 -2,-0.2 0.902 113.1 49.6 -66.6 -40.9 20.1 -4.4 27.0 53 54 X L H X S+ 0 0 8 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.889 110.8 48.6 -68.5 -39.1 22.6 -3.3 24.4 54 55 X V H X S+ 0 0 1 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.879 109.8 53.1 -70.5 -33.8 25.2 -5.8 25.5 55 56 X H H X S+ 0 0 33 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.928 107.1 52.2 -63.8 -43.5 22.5 -8.5 25.4 56 57 X N H X S+ 0 0 41 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.945 110.9 48.1 -49.0 -51.6 21.7 -7.4 21.8 57 58 X L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 3,-0.5 0.903 110.4 50.4 -59.7 -43.0 25.4 -7.8 21.0 58 59 X A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.856 107.0 55.0 -63.0 -35.2 25.5 -11.2 22.7 59 60 X S H < S+ 0 0 47 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.770 110.4 46.3 -72.8 -23.1 22.5 -12.3 20.6 60 61 X F H < S+ 0 0 48 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.867 115.7 43.9 -79.7 -43.0 24.4 -11.3 17.4 61 62 X V H >< S- 0 0 5 -4,-2.4 3,-2.0 -5,-0.1 -2,-0.2 0.871 85.0-178.2 -70.0 -39.6 27.6 -13.1 18.5 62 63 X K T 3< S- 0 0 129 -4,-2.8 -33,-0.3 1,-0.3 -3,-0.1 0.806 71.2 -38.3 38.7 59.9 25.7 -16.1 19.7 63 64 X G T 3 S+ 0 0 39 -35,-0.7 -1,-0.3 1,-0.3 2,-0.2 0.205 111.9 116.1 88.4 -14.3 28.5 -18.4 21.0 64 65 X T < - 0 0 93 -3,-2.0 2,-0.5 1,-0.1 -1,-0.3 -0.514 69.4-111.4 -88.3 154.4 30.9 -17.5 18.2 65 66 X D - 0 0 129 -2,-0.2 -1,-0.1 -3,-0.1 -33,-0.0 -0.745 29.3-166.6 -86.6 126.4 34.3 -15.7 18.7 66 67 X L > - 0 0 18 -2,-0.5 3,-1.6 32,-0.0 4,-0.2 -0.946 18.5-132.1-113.7 112.8 34.4 -12.2 17.2 67 68 X P T 3 S+ 0 0 62 0, 0.0 31,-0.1 0, 0.0 34,-0.0 -0.356 93.3 13.3 -58.8 143.0 37.8 -10.6 16.9 68 69 X K T >> S+ 0 0 48 1,-0.1 3,-1.7 3,-0.1 4,-0.6 0.708 79.6 145.1 60.9 23.5 37.9 -7.0 18.2 69 70 X S H X> + 0 0 3 -3,-1.6 4,-1.8 1,-0.3 3,-0.8 0.839 61.4 70.7 -57.3 -31.1 34.5 -7.6 19.9 70 71 X E H 3> S+ 0 0 66 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.692 85.6 66.0 -63.1 -19.3 35.7 -5.3 22.7 71 72 X L H <> S+ 0 0 27 -3,-1.7 4,-1.9 2,-0.2 -1,-0.3 0.939 104.7 44.0 -66.5 -45.1 35.5 -2.3 20.4 72 73 X I H S+ 0 0 3 -4,-1.9 6,-1.8 -5,-0.2 5,-1.5 0.900 111.3 45.3 -63.9 -42.3 31.3 1.8 22.5 76 77 X I H ><5S+ 0 0 2 -4,-2.4 3,-2.1 4,-0.2 -2,-0.2 0.995 115.9 43.7 -63.1 -60.5 28.3 0.6 24.4 77 78 X I H 3<5S+ 0 0 28 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.790 114.3 50.8 -63.8 -25.9 29.6 1.2 27.8 78 79 X N T 3<5S- 0 0 79 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.450 115.2-112.6 -89.9 1.8 31.1 4.6 26.9 79 80 X G T < 5S+ 0 0 29 -3,-2.1 -3,-0.2 -4,-0.4 3,-0.2 0.528 86.6 114.4 87.1 4.7 27.8 5.8 25.3 80 81 X D S S- 0 0 63 1,-0.1 4,-2.2 -30,-0.0 5,-0.2 -0.808 77.4-118.7-123.6 162.1 20.7 2.0 20.0 84 85 X S H > S+ 0 0 64 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.832 118.6 57.8 -58.2 -35.2 20.2 -1.6 18.9 85 86 X L H > S+ 0 0 87 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.894 106.9 44.7 -63.7 -44.2 20.6 -0.2 15.4 86 87 X Q H > S+ 0 0 18 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.860 113.4 51.5 -68.7 -36.1 24.0 1.2 16.1 87 88 X V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.896 109.0 49.7 -68.7 -39.8 25.0 -2.0 17.8 88 89 X D H X S+ 0 0 42 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.933 113.8 46.5 -63.1 -45.7 23.9 -4.1 14.8 89 90 X A H X S+ 0 0 13 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.920 112.4 49.0 -59.2 -47.9 25.9 -1.8 12.5 90 91 X A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.910 112.3 50.1 -61.6 -41.3 29.0 -1.9 14.7 91 92 X F H X S+ 0 0 18 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.937 110.5 48.4 -59.9 -48.8 28.7 -5.7 14.9 92 93 X K H X S+ 0 0 121 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.880 113.8 48.2 -61.0 -35.2 28.4 -6.0 11.1 93 94 X Y H X S+ 0 0 56 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.921 112.4 45.8 -71.1 -46.2 31.4 -3.7 10.7 94 95 X V H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 7,-0.2 0.870 114.0 50.3 -68.4 -35.4 33.6 -5.5 13.1 95 96 X K H < S+ 0 0 135 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.902 111.6 48.5 -65.4 -42.7 32.6 -8.8 11.6 96 97 X A H < S+ 0 0 83 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.878 121.4 33.6 -62.6 -41.5 33.4 -7.5 8.1 97 98 X N H >< S- 0 0 63 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.595 85.1-174.0 -97.5 -13.5 36.8 -6.1 9.0 98 99 X G G >< S- 0 0 19 -4,-1.7 3,-1.8 1,-0.3 -1,-0.2 -0.245 70.6 -4.5 55.5-135.5 38.0 -8.6 11.6 99 100 X E G 3 S+ 0 0 131 1,-0.3 -1,-0.3 -4,-0.1 -31,-0.1 0.639 127.4 68.6 -67.3 -17.5 41.2 -7.7 13.3 100 101 X A G < S+ 0 0 81 -3,-1.7 -1,-0.3 -6,-0.1 -2,-0.2 0.566 76.9 116.7 -75.4 -9.3 41.7 -4.6 11.0 101 102 X S < - 0 0 0 -3,-1.8 2,-0.3 -7,-0.2 -7,-0.1 -0.332 45.2-173.4 -60.6 138.2 38.8 -3.0 12.7 102 103 X T > - 0 0 73 1,-0.1 4,-2.7 -31,-0.0 5,-0.2 -0.908 37.6-109.6-126.7 163.3 39.5 0.1 14.7 103 104 X K H > S+ 0 0 114 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.929 118.9 46.9 -50.7 -52.3 37.4 2.3 17.0 104 105 X X H > S+ 0 0 147 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.852 111.2 51.0 -64.9 -38.2 37.2 5.1 14.4 105 106 X G H > S+ 0 0 8 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.943 114.6 43.3 -62.9 -47.8 36.3 2.8 11.6 106 107 X X H >< S+ 0 0 1 -4,-2.7 3,-1.0 2,-0.2 4,-0.4 0.964 115.1 48.8 -60.8 -54.0 33.5 1.3 13.6 107 108 X N H ><>S+ 0 0 27 -4,-3.2 5,-1.8 1,-0.3 3,-1.7 0.930 108.8 53.7 -48.7 -53.3 32.3 4.6 14.9 108 109 X E H 3<5S+ 0 0 158 -4,-2.8 3,-0.3 1,-0.3 -1,-0.3 0.739 115.8 40.1 -56.0 -26.5 32.3 6.1 11.4 109 110 X N T <<5S+ 0 0 83 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.273 109.2 59.6-110.5 12.2 30.1 3.2 10.2 110 111 X S T < 5S- 0 0 0 -3,-1.7 -1,-0.2 -4,-0.4 -20,-0.1 -0.046 112.5-103.9-127.8 29.4 27.8 3.0 13.2 111 112 X G T > 5 + 0 0 5 -3,-0.3 3,-1.7 1,-0.2 -3,-0.1 0.632 60.0 169.6 62.8 15.6 26.3 6.5 13.2 112 113 X V T 3 < + 0 0 31 -5,-1.8 -1,-0.2 1,-0.3 3,-0.1 -0.369 67.7 9.2 -64.3 131.8 28.5 7.5 16.1 113 114 X G T 3 S+ 0 0 79 -33,-0.3 2,-0.7 1,-0.3 -1,-0.3 0.346 95.4 130.6 81.8 -9.0 28.3 11.3 16.7 114 115 X I < + 0 0 87 -3,-1.7 2,-0.4 2,-0.0 -1,-0.3 -0.709 29.2 173.9 -78.9 115.3 25.5 11.6 14.2 115 116 X E - 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0 0 40 -3,-1.4 3,-1.6 -4,-0.3 4,-0.1 -0.511 63.8-142.4 -66.6 126.2 15.1 7.7 3.8 155 156 X K G > S+ 0 0 170 1,-0.3 3,-1.0 -2,-0.3 4,-0.2 0.737 99.2 63.7 -65.7 -23.4 18.8 6.9 4.2 156 157 X E G 3 S+ 0 0 70 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.728 105.5 47.8 -67.8 -20.6 19.5 10.4 5.5 157 158 X L G X S+ 0 0 3 -3,-1.6 3,-1.1 -6,-0.2 -1,-0.2 0.257 75.4 110.5-104.6 9.1 17.3 9.5 8.4 158 159 X K T < S+ 0 0 109 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.883 89.1 34.6 -48.3 -44.8 18.8 6.1 9.2 159 160 X W T 3 S+ 0 0 66 -3,-0.3 -1,-0.3 -4,-0.2 -43,-0.2 0.408 96.3 110.8 -97.0 1.2 20.3 7.4 12.5 160 161 X A S < S- 0 0 10 -3,-1.1 -43,-0.1 -45,-0.1 -3,-0.1 -0.391 80.9-101.5 -74.5 152.3 17.4 9.8 13.4 161 162 X D > - 0 0 73 -45,-0.4 3,-1.5 1,-0.1 4,-0.3 -0.677 30.4-151.2 -73.7 115.8 15.0 9.2 16.3 162 163 X P T 3 S+ 0 0 70 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.435 84.7 77.3 -76.2 -0.0 11.9 7.8 14.6 163 164 X R T 3 S+ 0 0 194 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 0.656 91.9 55.2 -80.4 -15.9 9.5 9.1 17.2 164 165 X S S <> S+ 0 0 30 -3,-1.5 4,-1.7 1,-0.1 5,-0.3 0.694 89.4 79.5 -84.2 -20.3 9.9 12.6 15.7 165 166 X F H > S+ 0 0 4 -4,-0.3 4,-2.0 1,-0.2 5,-0.2 0.916 90.1 47.4 -59.8 -46.4 8.8 11.4 12.3 166 167 X K H > S+ 0 0 66 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.912 111.9 44.9 -68.8 -47.3 5.1 11.3 12.8 167 168 X P H > S+ 0 0 64 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.882 114.0 50.7 -62.5 -38.6 4.4 14.7 14.4 168 169 X I H X S+ 0 0 6 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.894 111.4 48.7 -69.4 -35.4 6.6 16.5 11.9 169 170 X I H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.3 5,-0.3 0.925 108.7 52.3 -64.7 -48.2 4.8 14.8 9.0 170 171 X D H X S+ 0 0 77 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.912 112.1 47.4 -53.7 -43.8 1.4 15.7 10.4 171 172 X Q H X S+ 0 0 86 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.922 114.1 45.0 -65.2 -45.5 2.5 19.3 10.6 172 173 X E H X S+ 0 0 10 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.872 111.1 52.6 -68.9 -35.9 4.0 19.5 7.2 173 174 X V H >X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 3,-0.5 0.909 104.1 57.8 -67.8 -40.2 1.1 17.7 5.5 174 175 X L H 3X S+ 0 0 86 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.884 100.6 57.7 -52.7 -43.0 -1.3 20.2 7.1 175 176 X K H 3< S+ 0 0 139 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.866 116.4 33.7 -59.0 -38.2 0.5 23.1 5.4 176 177 X L H << S+ 0 0 50 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.824 128.7 33.5 -84.4 -38.6 -0.1 21.6 1.9 177 178 X L H < S- 0 0 10 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.765 94.2-141.3 -93.9 -27.3 -3.5 20.0 2.4 178 179 X G < - 0 0 24 -4,-2.5 -1,-0.2 -5,-0.4 -2,-0.1 -0.356 53.1 -28.9 79.1-174.1 -5.1 22.4 4.8 179 180 X P S S- 0 0 95 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.264 80.2 -84.8 -72.6 160.1 -7.3 20.9 7.5 180 181 X K + 0 0 153 4,-0.1 2,-0.2 2,-0.1 -2,-0.0 -0.407 60.8 163.2 -59.8 134.2 -9.2 17.6 7.0 181 182 X D > - 0 0 51 -2,-0.1 3,-2.7 -3,-0.1 4,-0.2 -0.602 56.2 -57.1-139.1-160.9 -12.6 18.1 5.3 182 183 X E G > S+ 0 0 143 1,-0.3 3,-1.3 -2,-0.2 -2,-0.1 0.785 127.3 64.2 -60.8 -26.7 -15.4 16.3 3.5 183 184 X R G 3 S+ 0 0 134 1,-0.2 -1,-0.3 0, 0.0 -3,-0.1 0.681 100.6 53.8 -64.0 -20.2 -12.8 15.0 1.0 184 185 X D G < S+ 0 0 18 -3,-2.7 -1,-0.2 -43,-0.1 -2,-0.2 0.307 77.6 133.8-104.8 9.5 -11.1 13.1 3.8 185 186 X L < 0 0 138 -3,-1.3 -3,-0.0 -4,-0.2 -4,-0.0 -0.329 360.0 360.0 -65.2 137.1 -14.1 11.2 5.1 186 187 X I 0 0 187 -2,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.436 360.0 360.0-134.9 360.0 -13.7 7.4 5.9