==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 15-DEC-04 1Y9I . COMPND 2 MOLECULE: LOW TEMPERATURE REQUIREMENT C PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES; . AUTHOR D.KUMARAN,S.SWAMINATHAN,S.K.BURLEY,NEW YORK SGX RESEARCH CEN . 636 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23404.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 467 73.4 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 . 9 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 358 56.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 4 0 3 1 0 0 8 0 12 0 0 0 0 0 5 1 0 1 0 1 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 6 A K 0 0 247 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.5 21.7 15.6 24.9 2 7 A Q - 0 0 86 1,-0.0 50,-0.0 3,-0.0 0, 0.0 -0.984 360.0-106.3-133.7 142.6 20.2 19.1 25.4 3 8 A S > - 0 0 54 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.041 34.4-106.6 -60.2 170.4 21.8 22.1 27.0 4 9 A A H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.832 122.0 54.4 -68.1 -32.5 20.7 23.3 30.5 5 10 A L H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.960 111.4 42.0 -65.8 -52.3 18.9 26.2 28.8 6 11 A E H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.915 113.0 53.7 -62.5 -44.8 16.9 24.0 26.4 7 12 A S H X S+ 0 0 55 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.942 112.3 43.5 -54.9 -51.4 16.1 21.4 29.1 8 13 A K H X S+ 0 0 49 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.867 111.1 55.2 -63.8 -38.6 14.7 24.1 31.5 9 14 A A H X S+ 0 0 2 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.944 111.6 43.7 -60.1 -49.1 12.8 25.8 28.7 10 15 A R H X S+ 0 0 37 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.929 116.1 45.5 -63.2 -48.5 11.0 22.6 27.7 11 16 A S H X S+ 0 0 56 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.839 111.3 53.1 -66.8 -33.2 10.2 21.4 31.3 12 17 A W H X S+ 0 0 7 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.896 106.9 51.6 -70.2 -39.3 9.0 24.9 32.4 13 18 A L H <>S+ 0 0 4 -4,-1.8 5,-2.3 -5,-0.2 3,-0.4 0.961 113.6 44.9 -58.4 -50.6 6.6 25.1 29.4 14 19 A I H ><5S+ 0 0 75 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.899 110.0 54.8 -59.7 -42.9 5.2 21.7 30.4 15 20 A E H 3<5S+ 0 0 134 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.818 105.0 54.2 -61.2 -31.0 5.1 22.7 34.1 16 21 A R T 3<5S- 0 0 40 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.471 129.7 -97.8 -82.9 -1.3 3.0 25.7 33.1 17 22 A G T < 5S+ 0 0 41 -3,-1.8 2,-0.6 -4,-0.2 -3,-0.2 0.603 83.7 125.2 98.7 13.3 0.6 23.4 31.4 18 23 A V < - 0 0 2 -5,-2.3 2,-0.2 -6,-0.2 -1,-0.2 -0.917 37.0-168.9-112.6 116.3 1.7 23.5 27.8 19 24 A E >> - 0 0 94 -2,-0.6 4,-1.4 1,-0.1 3,-0.9 -0.647 35.6-111.5 -98.0 157.6 2.5 20.3 26.0 20 25 A I H 3> S+ 0 0 30 1,-0.3 4,-2.5 -2,-0.2 3,-0.4 0.895 118.2 55.2 -52.0 -45.2 4.2 20.0 22.6 21 26 A D H 3> S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.788 100.4 59.1 -61.2 -30.0 1.0 18.7 21.0 22 27 A D H <> S+ 0 0 53 -3,-0.9 4,-0.8 2,-0.2 100,-0.3 0.905 110.9 41.5 -66.5 -39.7 -1.0 21.7 22.3 23 28 A I H >X S+ 0 0 1 -4,-1.4 4,-1.7 -3,-0.4 3,-0.7 0.891 110.8 56.9 -73.1 -39.3 1.3 24.0 20.3 24 29 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.3 -2,-0.2 0.865 101.2 57.5 -58.7 -38.2 1.3 21.6 17.3 25 30 A E H 3X S+ 0 0 100 -4,-2.0 4,-2.1 1,-0.2 -1,-0.3 0.825 104.7 52.5 -61.5 -32.4 -2.5 21.9 17.2 26 31 A L H X S+ 0 0 14 -4,-2.1 4,-1.1 -5,-0.1 3,-1.1 0.603 92.8 89.1-109.8 -13.3 -1.6 26.0 8.0 32 37 A Q T 3< S+ 0 0 105 -4,-2.7 6,-0.3 1,-0.3 3,-0.3 0.829 87.5 55.0 -55.2 -37.6 -4.3 23.4 7.4 33 38 A K T 34 S+ 0 0 170 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.771 112.6 42.9 -68.3 -26.4 -6.3 25.7 5.1 34 39 A Y T <4 S+ 0 0 128 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.569 122.5 37.8 -95.9 -12.2 -3.3 26.2 2.9 35 40 A H S >< S- 0 0 43 -4,-1.1 3,-2.0 -3,-0.3 -1,-0.2 -0.672 82.5-152.7-139.5 79.3 -2.1 22.6 2.9 36 41 A P T 3 S+ 0 0 122 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.218 82.7 28.5 -54.1 141.5 -5.2 20.3 2.8 37 42 A G T 3 S+ 0 0 71 1,-0.3 -5,-0.1 -5,-0.1 0, 0.0 0.341 82.8 155.3 89.0 -8.2 -4.5 16.9 4.3 38 43 A L < - 0 0 25 -3,-2.0 -1,-0.3 -6,-0.3 2,-0.2 -0.282 26.6-157.5 -54.4 132.6 -1.9 18.4 6.7 39 44 A E > - 0 0 148 -3,-0.1 4,-0.9 1,-0.1 3,-0.3 -0.718 26.1-107.4-114.2 166.6 -1.6 16.2 9.8 40 45 A L H > S+ 0 0 39 -2,-0.2 4,-2.7 1,-0.2 3,-0.2 0.823 104.5 69.2 -60.7 -37.7 -0.4 16.8 13.3 41 46 A D H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 101.2 43.3 -52.1 -52.6 2.9 14.9 13.1 42 47 A I H > S+ 0 0 61 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.829 113.7 53.6 -65.5 -29.2 4.8 17.3 10.7 43 48 A C H X S+ 0 0 0 -4,-0.9 4,-1.8 -3,-0.2 -1,-0.2 0.917 107.6 51.3 -68.4 -41.4 3.4 20.2 12.8 44 49 A R H X S+ 0 0 69 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.910 107.3 52.7 -59.6 -45.2 4.9 18.6 15.9 45 50 A Q H X S+ 0 0 89 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.862 108.4 49.8 -60.9 -38.9 8.3 18.2 14.2 46 51 A N H X S+ 0 0 1 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.855 108.5 52.7 -70.5 -33.2 8.4 21.9 13.3 47 52 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.936 108.1 51.9 -65.4 -44.2 7.5 22.9 16.9 48 53 A E H X S+ 0 0 49 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.902 107.5 52.4 -57.5 -43.3 10.4 20.7 18.1 49 54 A H H >< S+ 0 0 64 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.869 108.2 50.7 -62.1 -38.4 12.8 22.5 15.7 50 55 A V H >< S+ 0 0 0 -4,-1.7 3,-2.0 1,-0.2 6,-0.3 0.929 106.0 54.8 -65.7 -44.5 11.7 25.9 17.0 51 56 A L H 3< S+ 0 0 4 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.641 97.8 65.1 -65.7 -12.9 12.3 24.9 20.6 52 57 A R T << S+ 0 0 123 -4,-0.7 2,-0.4 -3,-0.6 -1,-0.3 0.554 79.9 103.8 -84.9 -7.8 15.9 23.9 19.7 53 58 A K <> - 0 0 86 -3,-2.0 4,-2.3 -4,-0.2 3,-0.4 -0.632 67.2-147.2 -79.3 125.9 16.7 27.5 18.9 54 59 A R H > S+ 0 0 44 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.887 99.9 57.9 -56.9 -41.3 18.7 29.2 21.6 55 60 A E H > S+ 0 0 23 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.883 109.1 45.3 -57.0 -40.8 16.9 32.5 20.8 56 61 A V H > S+ 0 0 0 -3,-0.4 4,-2.6 -6,-0.3 -1,-0.2 0.913 110.2 53.5 -70.4 -43.3 13.6 30.9 21.5 57 62 A Q H X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.906 106.5 52.5 -60.0 -41.7 14.8 29.2 24.7 58 63 A N H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.900 112.0 45.8 -60.9 -41.8 16.0 32.6 26.1 59 64 A A H X S+ 0 0 0 -4,-1.4 4,-2.6 -5,-0.2 5,-0.3 0.890 110.0 53.9 -69.5 -40.4 12.7 34.2 25.5 60 65 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.940 113.0 43.0 -59.4 -48.3 10.7 31.2 27.0 61 66 A L H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.928 115.4 47.7 -65.1 -46.1 12.7 31.4 30.3 62 67 A T H X S+ 0 0 2 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.943 115.5 44.6 -62.6 -47.1 12.6 35.2 30.6 63 68 A G H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 74,-0.3 0.935 114.8 45.0 -63.9 -50.5 8.9 35.4 29.9 64 69 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.889 108.7 59.6 -62.0 -37.7 7.7 32.5 32.1 65 70 A Q H X S+ 0 0 2 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.902 106.6 46.8 -56.3 -43.4 10.0 33.8 34.9 66 71 A L H X S+ 0 0 3 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.896 110.8 51.3 -67.4 -41.5 8.2 37.1 34.9 67 72 A D H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.932 111.5 48.1 -58.8 -48.2 4.7 35.5 34.9 68 73 A V H X S+ 0 0 12 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.882 110.2 50.6 -60.9 -42.5 5.7 33.3 37.9 69 74 A X H <>S+ 0 0 11 -4,-2.0 5,-2.6 -5,-0.2 6,-0.6 0.877 109.5 52.5 -65.1 -35.2 7.1 36.2 39.8 70 75 A A H ><5S+ 0 0 3 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.888 107.4 51.4 -66.7 -39.8 3.9 38.1 39.1 71 76 A E H 3<5S+ 0 0 65 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.851 111.6 47.9 -64.7 -35.8 1.8 35.2 40.5 72 77 A K T 3<5S- 0 0 137 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.486 111.0-121.8 -83.8 -5.0 4.0 35.2 43.7 73 78 A G T < 5S+ 0 0 48 -3,-0.8 -3,-0.2 -4,-0.5 -2,-0.1 0.841 71.9 131.5 66.9 34.2 3.6 38.9 44.1 74 79 A E < + 0 0 101 -5,-2.6 -4,-0.2 -6,-0.1 2,-0.1 0.578 38.8 99.4 -93.2 -13.2 7.4 39.4 44.0 75 80 A L S S- 0 0 10 -6,-0.6 2,-0.1 -9,-0.1 5,-0.1 -0.422 77.7-110.4 -78.1 151.7 7.5 42.2 41.5 76 81 A V > - 0 0 41 465,-0.1 4,-2.2 -2,-0.1 3,-0.3 -0.416 56.0 -69.9 -72.9 153.7 7.9 45.9 42.4 77 82 A Q T 4 S+ 0 0 95 1,-0.3 -1,-0.1 2,-0.2 0, 0.0 -0.643 113.3 19.2 -86.4 150.4 4.8 48.1 41.9 78 83 A P T > S+ 0 0 22 0, 0.0 4,-2.9 0, 0.0 -1,-0.3 -0.982 122.4 58.4 -88.0 4.6 3.4 49.1 39.5 79 84 A L H > S+ 0 0 0 -3,-0.3 4,-2.8 1,-0.2 5,-0.4 0.881 103.5 58.4 -57.9 -36.9 5.0 46.4 37.4 80 85 A Q H X S+ 0 0 18 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.941 111.9 37.8 -58.3 -50.2 3.4 43.8 39.7 81 86 A N H > S+ 0 0 90 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.893 115.4 55.2 -69.4 -39.2 -0.1 45.1 39.0 82 87 A I H <>S+ 0 0 3 -4,-2.9 5,-2.3 2,-0.2 -2,-0.2 0.935 115.1 36.4 -59.9 -50.1 0.6 45.7 35.3 83 88 A I H ><5S+ 0 0 0 -4,-2.8 3,-1.2 3,-0.2 53,-0.2 0.917 117.2 50.0 -72.4 -44.2 1.8 42.2 34.6 84 89 A S H 3<5S+ 0 0 45 -4,-2.1 -1,-0.2 -5,-0.4 -2,-0.2 0.832 114.9 45.6 -66.5 -27.7 -0.6 40.3 36.8 85 90 A A T 3<5S- 0 0 64 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.392 105.4-129.3 -93.6 2.0 -3.5 42.2 35.4 86 91 A D T < 5 - 0 0 37 -3,-1.2 -3,-0.2 -4,-0.2 -4,-0.1 0.908 30.4-146.8 48.7 49.2 -2.3 41.8 31.8 87 92 A E > < - 0 0 58 -5,-2.3 3,-1.6 -6,-0.2 -1,-0.1 -0.159 7.8-133.7 -47.6 130.2 -2.7 45.5 31.2 88 93 A G T 3 S+ 0 0 64 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.786 103.3 50.9 -60.0 -30.6 -3.7 46.2 27.6 89 94 A L T 3 S+ 0 0 13 225,-0.1 2,-0.7 226,-0.0 -1,-0.3 0.405 86.0 96.7 -90.8 4.7 -1.1 49.0 27.1 90 95 A Y < + 0 0 1 -3,-1.6 3,-0.2 -8,-0.1 4,-0.2 -0.838 44.6 168.9 -93.2 114.9 1.8 46.9 28.4 91 96 A G > + 0 0 1 -2,-0.7 4,-1.6 1,-0.1 -1,-0.1 0.218 44.3 102.0-114.8 18.1 3.5 45.5 25.3 92 97 A V H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.851 82.0 56.5 -69.6 -31.1 6.7 44.0 26.6 93 98 A D H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.883 107.8 47.5 -66.7 -36.1 5.2 40.5 26.4 94 99 A E H > S+ 0 0 22 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.832 110.8 53.0 -72.3 -32.0 4.5 41.0 22.7 95 100 A I H X S+ 0 0 17 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.940 109.3 47.0 -67.6 -48.5 8.0 42.4 22.1 96 101 A L H >< S+ 0 0 7 -4,-2.4 3,-0.8 1,-0.2 4,-0.5 0.920 112.5 50.5 -59.9 -44.4 9.7 39.3 23.7 97 102 A A H >X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 3,-1.1 0.807 99.4 64.0 -65.7 -30.9 7.5 36.9 21.7 98 103 A L H 3X S+ 0 0 19 -4,-1.5 4,-2.8 1,-0.3 -1,-0.2 0.831 94.4 62.4 -63.7 -27.3 8.2 38.6 18.4 99 104 A S H << S+ 0 0 5 -4,-0.9 4,-0.5 -3,-0.8 -1,-0.3 0.787 102.9 50.0 -67.2 -25.8 11.8 37.6 18.9 100 105 A I H X4 S+ 0 0 0 -3,-1.1 3,-1.1 -4,-0.5 4,-0.3 0.920 110.7 48.5 -75.9 -45.9 10.6 34.0 18.8 101 106 A V H >< S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.920 103.5 62.6 -58.2 -45.0 8.7 34.6 15.6 102 107 A N G >< S+ 0 0 20 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.684 79.9 81.3 -56.6 -21.9 11.7 36.3 14.0 103 108 A V G < S+ 0 0 25 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.780 107.1 30.7 -57.3 -25.2 13.8 33.1 14.2 104 109 A Y G < S- 0 0 44 -3,-2.0 -1,-0.3 -4,-0.3 3,-0.3 0.122 121.8-106.6-119.4 20.6 12.0 32.1 11.0 105 110 A G X - 0 0 8 -3,-1.9 3,-1.6 317,-0.2 -1,-0.3 0.017 42.8 -53.1 87.5 171.2 11.4 35.6 9.5 106 111 A S G > S+ 0 0 1 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.648 112.5 80.3 -62.2 -20.8 8.7 38.2 8.9 107 112 A I G 3 S+ 0 0 20 -3,-0.3 4,-0.3 1,-0.3 -1,-0.3 0.613 90.1 57.1 -67.0 -6.3 6.4 35.7 7.1 108 113 A G G <> S+ 0 0 1 -3,-1.6 4,-1.7 -7,-0.1 -1,-0.3 0.580 82.3 90.1 -96.3 -9.9 5.4 34.6 10.6 109 114 A F H <> S+ 0 0 14 -3,-1.8 4,-1.9 1,-0.2 3,-0.2 0.904 86.3 45.6 -51.7 -54.9 4.3 38.1 11.7 110 115 A T H > S+ 0 0 8 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.880 110.9 52.3 -63.5 -36.9 0.6 37.9 10.6 111 116 A N H > S+ 0 0 13 -4,-0.3 4,-2.4 1,-0.2 5,-0.2 0.850 106.8 55.6 -67.1 -31.6 0.0 34.4 12.0 112 117 A Y H X S+ 0 0 7 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.956 113.3 39.4 -63.6 -50.3 1.4 35.6 15.4 113 118 A G H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.932 116.1 51.4 -65.6 -46.0 -1.1 38.5 15.5 114 119 A Y H X S+ 0 0 56 -4,-2.8 4,-2.2 1,-0.2 3,-0.5 0.914 110.6 46.4 -58.3 -47.9 -4.0 36.5 14.1 115 120 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.836 106.7 59.5 -68.2 -30.3 -3.6 33.6 16.5 116 121 A D H < S+ 0 0 22 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.828 110.3 43.1 -66.0 -30.9 -3.3 36.0 19.5 117 122 A K H < S+ 0 0 51 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.908 119.1 40.5 -80.2 -44.3 -6.8 37.4 18.6 118 123 A V H < S- 0 0 58 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.804 83.9-165.1 -74.3 -32.8 -8.6 34.1 17.9 119 124 A K < - 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0 0 41 -2,-0.2 4,-2.2 -495,-0.1 3,-0.3 -0.390 56.7 -69.0 -72.3 151.2 15.7 30.4 38.4 557 82 D Q T 4 S+ 0 0 95 1,-0.3 -1,-0.1 2,-0.2 0, 0.0 -0.592 112.3 17.2 -82.0 149.6 18.7 28.6 36.9 558 83 D P T > S+ 0 0 23 0, 0.0 4,-2.8 0, 0.0 -1,-0.3 -0.992 123.6 57.6 -88.0 1.2 20.1 28.8 34.3 559 84 D L H > S+ 0 0 0 -3,-0.3 4,-2.9 1,-0.2 5,-0.4 0.883 102.7 59.7 -55.1 -39.7 18.5 32.2 33.7 560 85 D Q H X S+ 0 0 15 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.959 112.4 36.0 -53.9 -56.0 20.0 33.4 36.9 561 86 D N H > S+ 0 0 96 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.860 114.8 57.4 -67.9 -35.8 23.6 32.8 35.8 562 87 D I H X>S+ 0 0 15 -4,-2.8 5,-2.2 2,-0.2 4,-0.5 0.950 114.9 36.2 -59.8 -50.4 22.8 33.8 32.2 563 88 D I H <5S+ 0 0 0 -4,-2.9 3,-0.5 3,-0.2 53,-0.2 0.908 117.2 52.0 -70.4 -43.4 21.6 37.2 33.2 564 89 D S H <5S+ 0 0 40 -4,-2.5 -2,-0.2 -5,-0.4 -1,-0.2 0.920 114.9 41.6 -59.4 -46.0 24.2 37.7 36.0 565 90 D A H <5S- 0 0 56 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.569 105.9-130.7 -78.7 -9.0 27.1 36.8 33.8 566 91 D D T <5 - 0 0 37 -4,-0.5 -3,-0.2 -3,-0.5 -4,-0.1 0.933 30.1-144.9 57.1 49.4 25.6 38.9 30.9 567 92 D E > < - 0 0 73 -5,-2.2 3,-1.5 -6,-0.2 -1,-0.1 -0.103 8.5-131.8 -48.7 135.1 26.1 36.0 28.5 568 93 D G T 3 S+ 0 0 63 1,-0.3 -1,-0.1 -3,-0.1 -94,-0.0 0.765 104.6 52.5 -61.6 -29.5 27.0 37.0 24.9 569 94 D L T 3 S+ 0 0 10 -95,-0.1 2,-0.7 -94,-0.0 -1,-0.3 0.418 86.4 96.2 -89.6 2.4 24.4 34.7 23.3 570 95 D Y < + 0 0 2 -3,-1.5 4,-0.2 -8,-0.1 3,-0.1 -0.838 44.2 168.3 -93.4 114.2 21.6 36.1 25.5 571 96 D G > + 0 0 1 -2,-0.7 4,-1.8 1,-0.1 5,-0.1 0.289 44.6 101.5-112.8 12.4 19.8 38.8 23.4 572 97 D V H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.860 82.5 56.4 -64.3 -33.2 16.6 39.5 25.4 573 98 D D H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 108.6 46.1 -65.6 -37.7 18.2 42.6 26.8 574 99 D E H > S+ 0 0 26 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.826 111.0 53.9 -71.8 -31.2 18.9 43.9 23.3 575 100 D I H X S+ 0 0 17 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.942 110.2 45.5 -66.2 -48.7 15.3 43.0 22.2 576 101 D L H >X S+ 0 0 7 -4,-2.5 4,-0.7 1,-0.2 3,-0.6 0.907 112.4 51.7 -61.8 -42.2 13.8 45.0 25.1 577 102 D A H >X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 3,-1.1 0.864 100.8 62.7 -64.1 -36.2 16.1 47.9 24.4 578 103 D L H 3X S+ 0 0 20 -4,-1.9 4,-2.6 1,-0.3 -1,-0.2 0.838 95.1 60.3 -59.0 -33.5 15.1 47.9 20.7 579 104 D S H << S+ 0 0 6 -4,-1.0 4,-0.4 -3,-0.6 -1,-0.3 0.805 104.5 50.7 -65.9 -27.0 11.4 48.7 21.7 580 105 D I H X< S+ 0 0 0 -3,-1.1 3,-1.3 -4,-0.7 4,-0.3 0.942 109.9 48.1 -73.4 -48.4 12.7 51.9 23.3 581 106 D V H >< S+ 0 0 0 -4,-1.8 3,-1.9 1,-0.3 -2,-0.2 0.912 104.5 63.3 -56.2 -43.3 14.7 52.9 20.1 582 107 D N G >< S+ 0 0 18 -4,-2.6 3,-1.8 1,-0.3 -1,-0.3 0.669 78.6 81.3 -58.6 -20.0 11.6 52.2 18.0 583 108 D V G < S+ 0 0 26 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.799 108.3 29.6 -59.4 -23.7 9.5 54.9 19.7 584 109 D Y G < S- 0 0 45 -3,-1.9 -1,-0.3 -4,-0.3 3,-0.3 0.103 122.9-105.4-120.6 19.5 11.2 57.3 17.4 585 110 D G X - 0 0 4 -3,-1.8 3,-1.4 1,-0.2 -1,-0.3 -0.022 41.3 -54.2 91.2 172.5 11.9 54.9 14.4 586 111 D S G > S+ 0 0 1 1,-0.3 3,-1.7 2,-0.2 4,-0.5 0.641 111.9 81.3 -66.2 -19.4 14.5 52.9 12.6 587 112 D I G 3 S+ 0 0 19 -3,-0.3 4,-0.3 1,-0.3 -1,-0.3 0.607 90.4 56.1 -65.1 -8.4 16.8 55.9 12.2 588 113 D G G <> S+ 0 0 0 -3,-1.4 4,-1.9 -7,-0.1 -1,-0.3 0.574 81.6 90.4 -97.5 -10.8 17.9 55.3 15.7 589 114 D F H <> S+ 0 0 9 -3,-1.7 4,-1.9 1,-0.2 3,-0.2 0.918 87.5 45.3 -49.9 -55.5 19.0 51.7 15.1 590 115 D T H > S+ 0 0 11 -4,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.861 110.7 52.1 -63.1 -37.5 22.6 52.4 14.2 591 116 D N H > S+ 0 0 14 -4,-0.3 4,-2.6 2,-0.2 5,-0.3 0.862 107.3 54.8 -67.7 -32.8 23.2 54.9 17.0 592 117 D Y H X S+ 0 0 3 -4,-1.9 4,-1.6 -3,-0.2 -2,-0.2 0.946 113.4 40.2 -63.9 -48.5 21.9 52.3 19.5 593 118 D G H X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.923 115.6 52.3 -66.1 -43.7 24.4 49.6 18.3 594 119 D Y H >X S+ 0 0 52 -4,-2.6 4,-2.2 1,-0.2 3,-0.6 0.930 111.5 44.1 -58.2 -51.0 27.2 52.1 17.9 595 120 D I H 3X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.837 108.5 59.7 -66.5 -31.2 26.9 53.5 21.4 596 121 D D H 3< S+ 0 0 18 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.790 111.5 40.1 -67.5 -26.9 26.6 50.0 22.9 597 122 D K H << S+ 0 0 39 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.849 119.6 42.4 -89.8 -36.9 30.0 49.0 21.5 598 123 D V H < S- 0 0 61 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.827 86.4-162.6 -77.3 -33.1 31.8 52.3 22.2 599 124 D K < - 0 0 49 -4,-2.5 5,-0.1 -5,-0.2 -3,-0.1 0.919 14.6-175.3 49.3 60.2 30.3 52.6 25.7 600 125 D P > - 0 0 22 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.328 44.9 -17.7 -80.4 166.6 31.0 56.3 26.4 601 126 D G T >> S+ 0 0 45 1,-0.3 3,-1.7 2,-0.2 4,-0.7 -0.051 134.0 9.5 45.0-127.9 30.3 58.1 29.6 602 127 D I H 3> S+ 0 0 7 -100,-0.3 4,-1.4 1,-0.3 3,-0.5 0.732 121.4 68.8 -54.9 -26.8 27.9 56.5 32.0 603 128 D L H <4 S+ 0 0 7 -3,-1.9 4,-0.4 1,-0.2 -1,-0.3 0.821 91.8 58.6 -66.0 -29.8 27.9 53.3 29.9 604 129 D A H <4 S+ 0 0 53 -3,-1.7 3,-0.4 -4,-0.3 -1,-0.2 0.829 105.2 51.8 -67.4 -30.3 31.4 52.5 30.9 605 130 D K H >< S+ 0 0 123 -4,-0.7 3,-1.0 -3,-0.5 -2,-0.2 0.871 107.8 49.1 -73.5 -38.5 30.3 52.5 34.5 606 131 D L T 3< S+ 0 0 11 -4,-1.4 -1,-0.2 1,-0.2 9,-0.2 0.481 107.2 59.7 -79.9 -1.6 27.4 50.0 33.9 607 132 D N T 3 S+ 0 0 56 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.2 0.297 70.3 102.3-109.0 8.0 29.8 47.8 32.1 608 133 D E < - 0 0 139 -3,-1.0 -1,-0.1 1,-0.1 -2,-0.1 0.816 63.1-157.3 -62.6 -32.7 32.3 47.1 34.9 609 134 D H + 0 0 91 -3,-0.2 5,-0.1 -4,-0.2 -1,-0.1 0.935 19.5 174.2 52.6 52.1 31.0 43.6 35.7 610 135 D D - 0 0 92 1,-0.1 -1,-0.1 3,-0.1 4,-0.1 0.352 51.4-109.7 -72.5 8.1 32.4 43.7 39.2 611 136 D G S S+ 0 0 81 2,-0.3 -1,-0.1 -47,-0.1 3,-0.1 0.448 108.9 59.9 79.5 -1.7 30.7 40.4 40.0 612 137 D I S S+ 0 0 121 1,-0.2 2,-0.3 -48,-0.0 -1,-0.1 0.658 91.7 61.7-122.1 -44.5 28.2 42.1 42.4 613 138 D A - 0 0 32 2,-0.0 2,-0.5 -63,-0.0 -2,-0.3 -0.622 65.1-156.8 -88.1 147.0 26.2 44.6 40.3 614 139 D V + 0 0 9 -2,-0.3 -63,-0.2 -4,-0.1 4,-0.1 -0.987 26.5 157.2-127.9 120.4 24.2 43.4 37.3 615 140 D H > + 0 0 33 -2,-0.5 4,-2.5 -9,-0.2 5,-0.3 -0.112 28.4 130.4-130.9 33.0 23.3 45.9 34.5 616 141 D T H > S+ 0 0 4 -53,-0.2 4,-0.5 1,-0.2 -1,-0.1 0.890 87.4 27.4 -55.8 -43.2 22.6 43.4 31.7 617 142 D F H > S+ 0 0 2 -74,-0.3 4,-2.0 2,-0.1 3,-0.2 0.853 117.7 59.3 -88.4 -37.4 19.3 45.1 30.9 618 143 D L H > S+ 0 0 0 -75,-0.2 4,-2.6 1,-0.2 5,-0.2 0.858 97.6 58.6 -61.3 -38.9 20.2 48.6 32.1 619 144 D D H X S+ 0 0 9 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.931 111.3 42.2 -58.0 -43.3 23.1 49.1 29.8 620 145 D D H X S+ 0 0 1 -4,-0.5 4,-2.3 -5,-0.3 -1,-0.2 0.880 112.0 55.0 -69.3 -39.9 20.9 48.5 26.7 621 146 D I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.922 110.3 45.5 -60.5 -45.1 18.1 50.6 28.1 622 147 D V H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.959 114.3 46.8 -64.8 -50.7 20.4 53.6 28.7 623 148 D G H X S+ 0 0 1 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.852 114.0 50.7 -59.4 -33.4 22.0 53.4 25.3 624 149 D A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.873 107.1 50.6 -73.6 -38.7 18.5 53.0 23.8 625 150 D I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.908 111.6 50.9 -64.9 -37.8 17.0 56.0 25.5 626 151 D A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.930 111.1 46.7 -63.7 -45.2 20.0 57.9 24.2 627 152 D A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.908 112.9 49.2 -64.9 -41.6 19.5 56.7 20.6 628 153 D A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.916 112.1 48.4 -63.3 -42.6 15.7 57.4 20.8 629 154 D A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.919 109.9 52.4 -63.2 -43.1 16.4 60.9 22.1 630 155 D A H X S+ 0 0 1 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.836 108.8 50.8 -61.8 -35.0 19.0 61.5 19.3 631 156 D S H X S+ 0 0 3 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.905 107.8 51.3 -70.2 -41.8 16.4 60.4 16.7 632 157 D R H X S+ 0 0 58 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.925 109.7 51.5 -60.0 -42.7 13.8 62.9 18.1 633 158 D L H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.889 105.4 55.2 -60.6 -41.6 16.4 65.6 17.9 634 159 D A H X S+ 0 0 25 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.900 109.3 47.1 -59.5 -42.1 17.2 64.7 14.3 635 160 D H H X S+ 0 0 36 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.875 110.4 54.5 -66.8 -37.4 13.5 65.1 13.4 636 161 D S H < S+ 0 0 51 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.946 108.2 46.0 -61.7 -52.9 13.4 68.4 15.3 637 162 D Y H < S+ 0 0 109 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.877 111.4 53.5 -59.7 -41.1 16.3 70.1 13.4 638 163 D H H < 0 0 106 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.981 360.0 360.0 -58.8 -62.9 15.0 69.0 10.0 639 164 D D < 0 0 126 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 -0.457 360.0 360.0-108.4 360.0 11.5 70.4 10.3