==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM-BINDING 25-JUN-98 1BJF . COMPND 2 MOLECULE: NEUROCALCIN DELTA; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.VIJAY-KUMAR,V.D.KUMAR . 362 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18860.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 68.5 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 . 14 3.9 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 . 20 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 47.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 2 0 0 0 2 0 4 6 4 0 2 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 2 2 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 . 4 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 5 A N 0 0 163 0, 0.0 2,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 53.5 17.5 -22.6 -8.3 2 6 A S + 0 0 84 1,-0.1 3,-0.2 29,-0.1 26,-0.0 -0.121 360.0 175.6 41.6 -80.2 16.4 -18.9 -7.4 3 7 A K - 0 0 146 -2,-1.1 2,-0.7 1,-0.2 -1,-0.1 0.917 35.5-120.8 45.4 102.9 12.8 -19.7 -6.4 4 8 A L - 0 0 19 1,-0.1 -1,-0.2 2,-0.1 5,-0.1 -0.629 35.7-109.6 -70.6 113.3 11.1 -16.6 -5.1 5 9 A R >> - 0 0 176 -2,-0.7 3,-1.7 -3,-0.2 4,-1.1 -0.256 25.9-132.7 -49.1 112.9 10.1 -17.5 -1.5 6 10 A P H 3> S+ 0 0 91 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.696 100.9 65.9 -39.3 -34.6 6.2 -17.9 -1.9 7 11 A E H >> S+ 0 0 99 1,-0.2 4,-1.0 2,-0.2 3,-0.8 0.917 103.2 44.1 -61.1 -45.0 5.7 -15.8 1.3 8 12 A V H <> S+ 0 0 22 -3,-1.7 4,-2.5 1,-0.2 5,-0.3 0.811 103.3 65.4 -71.3 -29.7 7.2 -12.6 -0.3 9 13 A M H 3X S+ 0 0 16 -4,-1.1 4,-0.7 1,-0.2 -1,-0.2 0.715 101.9 52.0 -63.4 -22.4 5.2 -13.3 -3.5 10 14 A Q H - 0 0 51 -2,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.123 26.5 -98.6 -74.7 179.6 0.7 -9.4 -11.6 20 24 A E H > S+ 0 0 122 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.912 123.9 42.1 -67.2 -45.0 1.9 -12.8 -10.7 21 25 A H H > S+ 0 0 124 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.917 112.1 54.4 -69.9 -42.5 3.7 -13.4 -13.9 22 26 A E H > S+ 0 0 51 1,-0.3 4,-2.2 2,-0.2 3,-0.4 0.927 108.2 49.3 -55.9 -48.7 5.2 -9.9 -14.1 23 27 A I H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.3 -1,-0.3 0.789 109.5 52.4 -61.0 -31.5 6.7 -10.2 -10.6 24 28 A Q H X S+ 0 0 75 -4,-1.1 4,-1.0 -3,-0.3 -1,-0.3 0.787 107.7 53.3 -75.5 -27.3 8.2 -13.5 -11.6 25 29 A E H X S+ 0 0 102 -4,-1.7 4,-1.9 -3,-0.4 3,-0.5 0.929 107.4 49.1 -72.3 -46.6 9.7 -11.8 -14.7 26 30 A W H X S+ 0 0 86 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.842 103.8 60.1 -62.4 -34.3 11.4 -9.1 -12.6 27 31 A Y H X S+ 0 0 38 -4,-1.3 4,-2.2 2,-0.2 3,-0.3 0.865 106.2 49.0 -61.5 -35.9 12.9 -11.6 -10.2 28 32 A K H X S+ 0 0 115 -4,-1.0 4,-0.9 -3,-0.5 -2,-0.2 0.971 112.2 46.2 -64.8 -57.0 14.7 -13.2 -13.2 29 33 A G H X S+ 0 0 21 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.521 115.0 50.8 -64.5 -6.8 16.0 -9.8 -14.4 30 34 A F H X S+ 0 0 10 -4,-0.7 4,-2.5 -3,-0.3 7,-0.3 0.818 106.1 48.8 -98.5 -43.1 17.0 -9.0 -10.8 31 35 A L H < S+ 0 0 44 -4,-2.2 -2,-0.2 2,-0.2 -3,-0.1 0.574 112.0 53.5 -74.2 -9.0 19.0 -12.1 -9.9 32 36 A R H < S+ 0 0 169 -4,-0.9 -1,-0.2 2,-0.2 -2,-0.1 0.912 116.8 32.8 -87.6 -54.0 21.0 -11.8 -13.1 33 37 A D H < S+ 0 0 134 -4,-0.6 -2,-0.2 1,-0.3 -3,-0.1 0.868 138.2 25.9 -69.4 -37.8 22.1 -8.2 -12.8 34 38 A C S >< S+ 0 0 5 -4,-2.5 3,-1.6 1,-0.1 -1,-0.3 -0.743 70.1 177.2-130.3 83.9 22.4 -8.5 -9.0 35 39 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.750 82.8 58.5 -54.9 -33.9 22.9 -12.3 -8.1 36 40 A S T 3 S- 0 0 77 2,-0.2 -5,-0.1 -4,-0.1 3,-0.1 0.727 107.5-130.4 -71.4 -20.0 23.2 -11.5 -4.4 37 41 A G S < S+ 0 0 10 -3,-1.6 41,-0.8 -7,-0.3 2,-0.3 0.686 76.2 98.3 76.6 18.8 19.7 -10.0 -4.7 38 42 A H E -A 77 0A 85 39,-0.2 2,-0.5 -8,-0.1 39,-0.2 -0.995 61.7-148.0-140.1 131.5 20.8 -6.9 -3.0 39 43 A L E -A 76 0A 20 37,-1.8 37,-1.8 -2,-0.3 2,-0.2 -0.859 15.9-152.0-100.6 129.7 21.9 -3.5 -4.4 40 44 A S E > -A 75 0A 44 -2,-0.5 4,-3.3 35,-0.2 5,-0.3 -0.519 30.9-104.0 -92.3 167.1 24.5 -1.6 -2.5 41 45 A M H > S+ 0 0 68 33,-0.5 4,-3.8 2,-0.2 5,-0.3 0.967 124.5 45.7 -51.2 -57.7 24.8 2.2 -2.5 42 46 A E H > S+ 0 0 148 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.924 114.7 49.0 -52.7 -49.7 27.8 2.0 -4.8 43 47 A E H > S+ 0 0 72 2,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.943 116.4 39.9 -55.5 -57.9 26.0 -0.5 -7.1 44 48 A F H >X S+ 0 0 24 -4,-3.3 4,-2.7 1,-0.2 3,-1.1 0.915 115.2 53.2 -58.6 -45.1 22.8 1.5 -7.3 45 49 A K H 3X S+ 0 0 67 -4,-3.8 4,-0.9 -5,-0.3 -1,-0.2 0.868 108.3 51.2 -59.4 -34.4 24.8 4.7 -7.6 46 50 A K H 3< S+ 0 0 137 -4,-2.5 -1,-0.3 -5,-0.3 4,-0.2 0.638 112.5 47.7 -77.5 -14.6 26.7 3.0 -10.5 47 51 A I H X< S+ 0 0 67 -3,-1.1 3,-0.8 -4,-0.8 4,-0.4 0.856 106.6 51.5 -92.0 -44.9 23.4 2.1 -12.1 48 52 A Y H >X S+ 0 0 31 -4,-2.7 4,-0.8 1,-0.3 3,-0.6 0.747 105.8 60.1 -64.4 -24.4 21.5 5.4 -12.0 49 53 A G T 3< S+ 0 0 24 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.762 93.3 62.9 -73.6 -27.3 24.6 6.9 -13.5 50 54 A N T <4 S+ 0 0 105 -3,-0.8 -1,-0.2 -4,-0.2 -2,-0.2 0.636 96.6 62.4 -70.4 -15.3 24.2 4.7 -16.6 51 55 A F T <4 S+ 0 0 121 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.911 115.4 27.0 -75.0 -47.5 20.9 6.5 -17.1 52 56 A F S < S+ 0 0 44 -4,-0.8 -1,-0.3 1,-0.1 -2,-0.1 -0.641 70.5 164.6-114.3 68.4 22.5 9.9 -17.6 53 57 A P S S+ 0 0 91 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.773 74.0 60.4 -57.2 -22.1 25.9 8.9 -19.0 54 58 A Y S S+ 0 0 223 -3,-0.1 2,-0.1 73,-0.1 -4,-0.0 -0.835 108.9 21.8-108.1 87.9 26.2 12.5 -20.1 55 59 A G S S- 0 0 48 -2,-0.8 2,-0.3 73,-0.1 72,-0.1 -0.391 93.3 -66.4 132.7 153.3 26.0 14.5 -16.8 56 60 A D + 0 0 64 70,-0.6 72,-0.1 -2,-0.1 4,-0.1 -0.516 49.5 151.0 -73.1 131.9 26.4 14.2 -13.0 57 61 A A > + 0 0 7 -2,-0.3 4,-1.8 -12,-0.1 -1,-0.1 0.327 39.8 103.9-141.2 4.1 24.0 11.9 -11.2 58 62 A S H > S+ 0 0 53 1,-0.2 4,-0.9 2,-0.2 -10,-0.1 0.828 83.1 45.7 -60.7 -39.5 25.9 10.7 -8.1 59 63 A K H > S+ 0 0 69 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.888 112.6 47.8 -73.2 -44.0 24.3 12.9 -5.5 60 64 A F H > S+ 0 0 1 63,-0.3 4,-2.2 1,-0.2 3,-0.3 0.875 104.1 61.9 -65.1 -39.9 20.6 12.5 -6.6 61 65 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.885 100.1 56.0 -53.7 -40.2 21.1 8.7 -6.7 62 66 A E H X S+ 0 0 66 -4,-0.9 4,-3.1 2,-0.2 -1,-0.2 0.890 106.2 49.6 -59.8 -43.9 21.9 8.8 -3.0 63 67 A H H X S+ 0 0 15 -4,-1.0 4,-2.8 -3,-0.3 -2,-0.2 0.932 112.2 46.1 -64.3 -45.8 18.5 10.5 -2.2 64 68 A V H X S+ 0 0 4 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.828 114.3 49.9 -68.1 -26.9 16.5 8.0 -4.2 65 69 A F H X S+ 0 0 7 -4,-2.0 4,-1.0 -5,-0.3 -2,-0.2 0.950 110.8 48.9 -71.8 -49.2 18.4 5.2 -2.5 66 70 A R H >< S+ 0 0 52 -4,-3.1 3,-0.6 1,-0.2 -2,-0.2 0.916 114.6 45.5 -54.1 -46.6 17.8 6.7 0.9 67 71 A T H 3< S+ 0 0 30 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.879 116.2 45.3 -68.5 -34.9 14.1 7.0 0.2 68 72 A F H 3< S+ 0 0 29 -4,-2.0 2,-1.2 -5,-0.2 -1,-0.2 0.399 85.7 91.1 -92.9 1.4 13.8 3.5 -1.3 69 73 A D << - 0 0 13 -4,-1.0 -1,-0.1 -3,-0.6 5,-0.1 -0.740 57.9-177.7 -97.1 84.2 15.7 1.6 1.3 70 74 A A S S+ 0 0 32 -2,-1.2 -1,-0.2 1,-0.2 220,-0.1 0.862 76.2 40.0 -48.4 -56.9 12.7 0.8 3.5 71 75 A N S S- 0 0 65 4,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.823 101.0-130.5 -69.8 -27.4 14.4 -1.1 6.3 72 76 A G + 0 0 27 3,-0.2 -2,-0.1 -3,-0.1 4,-0.1 0.826 64.4 135.2 79.2 33.1 17.3 1.2 6.3 73 77 A D S S- 0 0 83 2,-0.4 3,-0.1 182,-0.0 -3,-0.1 0.389 77.0-106.4 -93.0 -1.9 19.7 -1.7 6.3 74 78 A G S S+ 0 0 32 1,-0.2 -33,-0.5 -5,-0.1 2,-0.3 0.338 91.6 75.9 95.2 -7.4 22.0 -0.1 3.6 75 79 A T E S-A 40 0A 34 -35,-0.1 2,-0.6 -34,-0.1 -2,-0.4 -0.892 72.6-127.3-133.4 162.2 20.9 -2.3 0.7 76 80 A I E -A 39 0A 6 -37,-1.8 -37,-1.8 -2,-0.3 -7,-0.1 -0.931 26.9-162.0-115.6 105.9 17.9 -2.7 -1.6 77 81 A D E > -A 38 0A 33 -2,-0.6 4,-2.5 -39,-0.2 -39,-0.2 -0.336 39.1 -96.1 -78.6 169.0 16.4 -6.2 -1.7 78 82 A F H > S+ 0 0 14 -41,-0.8 4,-2.8 1,-0.2 5,-0.2 0.850 125.3 57.2 -53.2 -37.5 14.2 -7.4 -4.5 79 83 A R H > S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.988 110.2 39.6 -58.4 -63.1 11.2 -6.5 -2.2 80 84 A E H > S+ 0 0 9 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.812 114.7 58.5 -56.2 -31.9 12.2 -2.8 -1.8 81 85 A F H X S+ 0 0 47 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.994 106.0 43.9 -60.8 -63.7 13.1 -2.8 -5.5 82 86 A I H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 -2,-0.2 0.872 114.9 50.2 -51.4 -43.6 9.8 -3.9 -6.8 83 87 A I H X S+ 0 0 11 -4,-2.2 4,-2.6 2,-0.3 5,-0.4 0.957 108.9 50.3 -62.3 -49.9 8.0 -1.5 -4.5 84 88 A A H X S+ 0 0 14 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.950 114.0 48.3 -51.1 -45.6 10.2 1.4 -5.6 85 89 A L H X>S+ 0 0 42 -4,-3.1 4,-1.4 2,-0.2 5,-0.8 0.925 111.3 49.4 -59.4 -48.4 9.3 0.3 -9.1 86 90 A S H <5S+ 0 0 3 -4,-3.4 4,-0.5 1,-0.2 -2,-0.2 0.964 114.4 41.3 -57.8 -59.6 5.6 0.1 -8.3 87 91 A V H <5S+ 0 0 4 -4,-2.6 -1,-0.2 2,-0.1 -2,-0.2 0.827 120.1 44.7 -60.1 -36.4 5.2 3.5 -6.7 88 92 A T H <5S+ 0 0 37 -4,-2.2 -2,-0.2 -5,-0.4 -3,-0.2 0.992 126.9 20.1 -71.5 -76.0 7.4 5.3 -9.2 89 93 A S T <5S+ 0 0 68 -4,-1.4 -3,-0.2 -5,-0.2 -2,-0.1 0.979 137.6 21.2 -58.5 -66.2 6.4 4.0 -12.6 90 94 A R S > - 0 0 106 1,-0.1 4,-1.9 3,-0.0 3,-1.4 -0.261 38.5-109.5 -73.9 161.3 -1.5 6.5 -8.0 93 97 A L H 3> S+ 0 0 62 1,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.869 116.1 64.6 -59.7 -38.0 -0.6 10.1 -7.1 94 98 A E H 34 S+ 0 0 44 1,-0.2 4,-0.4 2,-0.2 250,-0.4 0.717 108.3 42.0 -61.3 -18.8 -1.8 9.6 -3.6 95 99 A Q H X> S+ 0 0 8 -3,-1.4 4,-1.1 2,-0.1 3,-0.7 0.860 108.5 57.2 -89.1 -46.9 1.0 7.1 -3.2 96 100 A K H 3X S+ 0 0 34 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.663 97.4 66.8 -58.0 -19.7 3.6 9.1 -5.1 97 101 A L H 3X S+ 0 0 2 -4,-1.5 4,-3.0 2,-0.2 -1,-0.2 0.918 96.4 50.7 -70.6 -46.6 3.1 11.9 -2.6 98 102 A K H <> S+ 0 0 32 -3,-0.7 4,-2.1 -4,-0.4 5,-0.3 0.978 113.5 44.7 -55.6 -57.7 4.5 10.2 0.5 99 103 A W H X S+ 0 0 11 -4,-1.1 4,-1.5 1,-0.2 -1,-0.2 0.936 114.6 51.9 -52.2 -48.4 7.7 9.1 -1.3 100 104 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.893 107.0 49.7 -56.7 -48.6 8.0 12.6 -2.8 101 105 A F H >X S+ 0 0 4 -4,-3.0 4,-3.1 1,-0.2 3,-0.6 0.960 110.8 49.7 -59.1 -48.7 7.7 14.5 0.5 102 106 A S H 3< S+ 0 0 23 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.783 103.9 61.7 -59.9 -28.7 10.3 12.4 2.2 103 107 A M H 3< S+ 0 0 0 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.915 114.9 32.4 -62.7 -45.2 12.6 13.0 -0.8 104 108 A Y H << S+ 0 0 0 -4,-1.6 2,-2.6 -3,-0.6 -2,-0.2 0.889 100.9 79.2 -80.0 -44.5 12.6 16.8 -0.1 105 109 A D >< + 0 0 3 -4,-3.1 3,-1.6 1,-0.2 -1,-0.2 -0.408 62.2 176.2 -66.9 77.8 12.3 16.7 3.7 106 110 A L T 3 S+ 0 0 33 -2,-2.6 -1,-0.2 1,-0.3 6,-0.1 0.858 76.7 37.0 -56.5 -41.3 16.0 15.9 4.1 107 111 A D T 3 S- 0 0 38 4,-0.3 -1,-0.3 -3,-0.2 145,-0.1 0.253 101.9-130.7 -97.6 13.5 16.0 16.0 7.9 108 112 A G < + 0 0 27 -3,-1.6 -2,-0.1 -6,-0.2 173,-0.1 0.678 63.3 137.8 47.0 24.7 12.6 14.4 8.2 109 113 A N S S- 0 0 10 2,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.339 79.3-103.6 -79.4 5.3 11.5 17.1 10.6 110 114 A G S S+ 0 0 1 1,-0.2 2,-0.3 -5,-0.1 52,-0.3 0.473 93.4 86.7 88.3 1.1 8.1 17.2 8.8 111 115 A Y - 0 0 10 50,-0.1 2,-0.7 51,-0.1 -2,-0.3 -0.961 65.8-140.3-132.6 152.6 8.9 20.5 7.0 112 116 A I E -B 160 0B 0 48,-1.4 48,-1.8 -2,-0.3 -7,-0.1 -0.895 22.5-158.9-114.7 99.2 10.5 21.4 3.6 113 117 A S E > -B 159 0B 40 -2,-0.7 4,-2.0 46,-0.2 5,-0.2 -0.268 32.8-107.9 -69.3 164.7 12.7 24.4 3.9 114 118 A K H > S+ 0 0 94 44,-0.8 4,-2.4 1,-0.2 5,-0.1 0.914 121.6 54.6 -57.6 -41.7 13.6 26.5 0.9 115 119 A A H > S+ 0 0 66 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.882 105.5 50.0 -60.9 -43.5 17.1 25.1 1.3 116 120 A E H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.945 114.0 44.1 -62.7 -47.8 16.0 21.4 1.3 117 121 A M H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.882 113.2 53.5 -64.5 -37.7 13.9 21.8 -1.9 118 122 A L H X S+ 0 0 46 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.947 107.8 48.9 -61.0 -50.6 16.7 23.8 -3.5 119 123 A E H X S+ 0 0 68 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.856 114.5 45.6 -58.5 -40.9 19.4 21.1 -2.8 120 124 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.962 112.5 49.9 -68.2 -49.2 17.1 18.4 -4.2 121 125 A V H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.852 109.4 54.2 -58.8 -31.9 16.2 20.6 -7.3 122 126 A Q H X S+ 0 0 76 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.963 106.1 49.1 -65.6 -52.9 20.0 21.2 -7.8 123 127 A A H < S+ 0 0 4 -4,-2.0 4,-0.3 1,-0.2 -63,-0.3 0.860 112.0 51.4 -54.0 -36.9 20.9 17.5 -7.9 124 128 A I H >X S+ 0 0 2 -4,-2.0 3,-1.5 1,-0.2 4,-0.7 0.911 106.1 53.4 -68.6 -41.6 18.1 17.0 -10.4 125 129 A Y H 3< S+ 0 0 31 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.724 100.0 62.2 -66.3 -22.2 19.3 19.9 -12.6 126 130 A K T 3< S+ 0 0 123 -4,-1.4 -70,-0.6 1,-0.2 -1,-0.3 0.584 103.8 49.9 -78.9 -9.7 22.8 18.3 -12.8 127 131 A M T <4 S+ 0 0 7 -3,-1.5 2,-0.4 -4,-0.3 -1,-0.2 0.604 116.4 38.9-100.7 -18.7 21.2 15.2 -14.5 128 132 A V < - 0 0 62 -4,-0.7 2,-0.5 -3,-0.2 -1,-0.2 -0.999 64.7-162.4-137.0 138.2 19.3 17.2 -17.1 129 133 A S + 0 0 113 -2,-0.4 -3,-0.1 -3,-0.1 -4,-0.0 -0.962 30.5 132.8-127.8 121.5 20.2 20.3 -19.2 130 134 A S > + 0 0 31 -2,-0.5 4,-2.4 9,-0.1 -1,-0.0 -0.410 3.2 155.2-164.5 75.8 17.8 22.6 -21.1 131 135 A V T 4 S+ 0 0 92 1,-0.2 7,-0.1 2,-0.2 8,-0.1 0.755 91.8 35.6 -75.5 -26.9 18.2 26.3 -20.6 132 136 A M T 4 S+ 0 0 179 1,-0.1 -1,-0.2 7,-0.0 4,-0.1 0.353 122.8 47.8-104.0 -1.6 16.5 27.1 -24.0 133 137 A K T 4 S+ 0 0 142 2,-0.1 -2,-0.2 6,-0.1 3,-0.1 0.707 100.5 68.9-107.8 -36.4 14.1 24.1 -23.6 134 138 A M S < S- 0 0 34 -4,-2.4 5,-0.1 1,-0.1 -4,-0.0 -0.613 101.4 -84.1 -86.2 148.6 12.8 24.7 -20.0 135 139 A P > - 0 0 60 0, 0.0 3,-2.5 0, 0.0 4,-0.2 -0.149 35.5-120.1 -51.6 140.4 10.6 27.7 -19.2 136 140 A E G > S+ 0 0 148 1,-0.3 3,-0.8 2,-0.2 4,-0.1 0.789 115.1 59.5 -52.4 -30.2 12.5 30.9 -18.6 137 141 A D G 3 S+ 0 0 73 1,-0.2 -1,-0.3 2,-0.1 10,-0.2 0.611 112.3 37.3 -75.3 -14.3 10.9 30.9 -15.1 138 142 A E G < S+ 0 0 35 -3,-2.5 -1,-0.2 5,-0.1 -2,-0.2 0.096 78.9 118.2-123.2 17.2 12.5 27.5 -14.3 139 143 A S S < S+ 0 0 29 -3,-0.8 -9,-0.1 -4,-0.2 -2,-0.1 0.685 79.4 32.6 -59.8 -20.8 15.8 28.1 -16.0 140 144 A T S >> S- 0 0 44 -4,-0.1 4,-3.0 -3,-0.1 3,-0.7 -0.997 82.6-117.8-140.1 144.9 17.7 27.8 -12.7 141 145 A P H 3> S+ 0 0 19 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.840 117.0 54.2 -46.8 -37.2 17.2 25.7 -9.5 142 146 A E H 3> S+ 0 0 92 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.912 111.4 43.4 -65.1 -44.3 16.9 29.0 -7.6 143 147 A K H <> S+ 0 0 106 -3,-0.7 4,-2.4 1,-0.2 5,-0.2 0.965 112.5 53.4 -65.5 -48.3 14.2 30.2 -9.9 144 148 A R H X S+ 0 0 2 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.873 110.3 47.7 -53.0 -43.6 12.4 26.8 -9.9 145 149 A T H X S+ 0 0 1 -4,-2.6 4,-3.0 -5,-0.3 5,-0.3 0.954 110.6 49.2 -64.5 -51.8 12.3 26.8 -6.1 146 150 A E H X S+ 0 0 82 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.867 110.5 52.6 -55.7 -40.0 11.0 30.3 -5.7 147 151 A K H X S+ 0 0 67 -4,-2.4 4,-1.8 -10,-0.2 -1,-0.2 0.923 112.0 45.3 -63.0 -44.7 8.3 29.5 -8.2 148 152 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 3,-0.2 0.961 114.3 46.3 -63.6 -55.0 7.3 26.4 -6.3 149 153 A F H < S+ 0 0 4 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.736 109.5 57.1 -61.0 -25.0 7.3 28.1 -2.9 150 154 A R H < S+ 0 0 179 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.913 111.4 41.6 -70.9 -45.4 5.3 31.0 -4.4 151 155 A Q H < S+ 0 0 86 -4,-1.8 -2,-0.2 -3,-0.2 -3,-0.1 0.975 128.0 26.7 -63.7 -59.3 2.5 28.7 -5.5 152 156 A M S < S+ 0 0 5 -4,-2.6 4,-0.1 -5,-0.1 13,-0.1 -0.010 84.3 82.8 -88.0-162.7 2.5 26.6 -2.3 153 157 A D > - 0 0 5 8,-0.1 3,-1.7 1,-0.1 5,-0.2 0.983 56.4-175.3 61.8 57.7 3.5 27.7 1.2 154 158 A T T 3 S+ 0 0 95 1,-0.3 -1,-0.1 2,-0.1 6,-0.1 0.682 74.9 51.2 -60.9 -24.4 0.1 29.3 1.8 155 159 A N T 3 S- 0 0 86 4,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.389 105.6-125.1 -97.6 8.9 1.0 30.8 5.2 156 160 A R < + 0 0 139 -3,-1.7 -2,-0.1 -7,-0.1 -3,-0.1 0.968 67.2 132.6 48.5 66.5 4.2 32.4 3.9 157 161 A D S S- 0 0 44 2,-0.3 -1,-0.1 -4,-0.0 -3,-0.1 0.107 74.2-113.9-130.0 17.2 6.5 30.9 6.5 158 162 A G S S+ 0 0 30 -5,-0.2 -44,-0.8 1,-0.1 2,-0.3 0.701 88.5 96.5 55.6 23.5 9.3 29.7 4.2 159 163 A K E -B 113 0B 69 -46,-0.2 2,-0.6 -10,-0.1 -2,-0.3 -0.993 68.6-136.6-144.9 133.1 8.4 26.1 5.0 160 164 A L E -B 112 0B 0 -48,-1.8 -48,-1.4 -2,-0.3 2,-0.1 -0.809 22.1-156.4 -95.1 118.1 6.2 23.6 3.1 161 165 A S > - 0 0 4 -2,-0.6 4,-2.3 -50,-0.2 5,-0.2 -0.310 31.3-103.2 -82.8 175.7 3.9 21.5 5.4 162 166 A L H > S+ 0 0 6 114,-0.4 4,-2.0 -52,-0.3 5,-0.1 0.923 122.7 42.7 -68.1 -42.0 2.5 18.2 4.5 163 167 A E H > S+ 0 0 40 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.889 113.1 52.6 -71.5 -38.8 -1.0 19.6 3.7 164 168 A E H > S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.935 112.7 45.6 -60.8 -43.9 0.5 22.5 1.8 165 169 A F H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.852 113.5 48.6 -67.5 -39.5 2.6 20.1 -0.3 166 170 A I H X S+ 0 0 8 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.926 113.4 46.2 -68.6 -44.0 -0.3 17.7 -0.9 167 171 A R H X S+ 0 0 126 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.912 115.7 46.8 -64.6 -42.6 -2.7 20.5 -1.9 168 172 A G H X S+ 0 0 11 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.792 108.2 55.2 -69.8 -31.3 -0.1 22.1 -4.2 169 173 A A H < S+ 0 0 0 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.815 106.1 52.1 -70.4 -33.0 0.8 18.8 -5.8 170 174 A K H < S+ 0 0 115 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.837 116.2 40.3 -70.4 -33.9 -2.8 18.2 -6.7 171 175 A S H < S+ 0 0 104 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.683 134.6 20.5 -85.8 -22.8 -2.8 21.6 -8.4 172 176 A D >< - 0 0 39 -4,-1.5 3,-0.9 -5,-0.1 -1,-0.3 -0.661 59.8-178.7-150.0 88.8 0.7 21.2 -9.8 173 177 A P T >> + 0 0 69 0, 0.0 4,-2.2 0, 0.0 3,-0.5 0.368 66.2 96.9 -69.6 8.0 2.0 17.6 -10.2 174 178 A S H 3> S+ 0 0 30 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.951 73.3 56.5 -63.1 -51.1 5.1 19.2 -11.5 175 179 A I H <4 S+ 0 0 0 -3,-0.9 4,-0.4 1,-0.2 -1,-0.2 0.707 112.1 46.7 -56.1 -20.2 7.0 19.2 -8.2 176 180 A V H X> S+ 0 0 3 -3,-0.5 3,-1.1 -4,-0.2 4,-0.8 0.919 111.2 45.7 -86.6 -54.3 6.4 15.4 -8.2 177 181 A R H 3< S+ 0 0 171 -4,-2.2 3,-0.3 1,-0.3 -2,-0.2 0.790 102.0 68.9 -60.8 -27.9 7.3 14.5 -11.8 178 182 A L T 3< S+ 0 0 31 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.899 97.8 52.6 -56.7 -38.9 10.5 16.7 -11.3 179 183 A L T <4 S+ 0 0 1 -3,-1.1 2,-1.9 -4,-0.4 -1,-0.3 0.820 88.3 84.9 -66.5 -34.4 11.6 13.9 -8.9 180 184 A Q < 0 0 55 -4,-0.8 -1,-0.2 -3,-0.3 -4,-0.0 -0.558 360.0 360.0 -74.9 85.8 11.0 11.2 -11.5 181 185 A C 0 0 73 -2,-1.9 -1,-0.2 -53,-0.0 -2,-0.1 0.962 360.0 360.0 52.4 360.0 14.4 11.6 -13.2 182 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 183 5 B N 0 0 190 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.8 36.8 19.6 25.0 184 6 B S + 0 0 64 2,-0.0 26,-0.0 0, 0.0 0, 0.0 0.779 360.0 143.3-100.3 -92.1 33.2 19.3 23.6 185 7 B K - 0 0 140 1,-0.1 2,-0.5 21,-0.1 21,-0.0 0.539 47.1-106.9 52.8 169.9 31.5 22.1 21.6 186 8 B L - 0 0 15 3,-0.0 -1,-0.1 4,-0.0 5,-0.1 -0.971 35.6-107.2-132.5 118.8 29.2 22.0 18.8 187 9 B R >> - 0 0 180 -2,-0.5 4,-1.4 1,-0.2 3,-1.1 -0.366 31.1-130.8 -47.0 118.3 30.3 22.9 15.4 188 10 B P H 3> S+ 0 0 98 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.710 102.9 62.8 -44.1 -33.3 28.6 26.3 14.9 189 11 B E H >> S+ 0 0 96 2,-0.2 4,-0.9 1,-0.2 3,-0.7 0.919 104.3 44.7 -65.2 -44.0 27.3 25.3 11.5 190 12 B V H X> S+ 0 0 19 -3,-1.1 4,-2.3 1,-0.2 3,-0.8 0.894 105.9 61.1 -67.9 -38.1 25.1 22.5 12.9 191 13 B M H 3X S+ 0 0 18 -4,-1.4 4,-0.7 1,-0.3 -1,-0.2 0.672 101.6 55.8 -61.7 -19.4 23.8 24.8 15.7 192 14 B Q H - 0 0 52 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.160 28.0 -96.7 -75.7 179.3 16.6 27.7 22.1 202 24 B E H > S+ 0 0 123 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.902 124.5 40.9 -65.6 -44.5 20.3 28.3 21.9 203 25 B H H > S+ 0 0 126 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.897 111.9 55.4 -72.6 -40.9 21.0 27.4 25.5 204 26 B E H >> S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.941 108.4 48.7 -55.8 -49.5 18.6 24.4 25.5 205 27 B I H 3X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.3 -1,-0.2 0.809 109.7 52.6 -59.6 -33.4 20.4 22.9 22.5 206 28 B Q H 3X S+ 0 0 66 -4,-1.0 4,-1.0 2,-0.2 -1,-0.3 0.788 107.3 53.7 -73.4 -28.3 23.7 23.5 24.3 207 29 B E H < S+ 0 0 4 -4,-2.7 3,-1.5 1,-0.1 -1,-0.3 -0.744 70.3 177.6-132.0 84.7 27.0 8.6 24.1 217 39 B P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.759 83.3 58.0 -54.2 -36.0 30.6 10.0 23.9 218 40 B S T 3 S- 0 0 77 2,-0.2 -5,-0.1 -4,-0.1 3,-0.1 0.742 107.4-130.6 -70.3 -21.1 30.9 8.9 20.2 219 41 B G S < S+ 0 0 10 -3,-1.5 41,-0.8 -7,-0.3 2,-0.4 0.675 75.2 98.9 78.3 18.2 27.9 11.1 19.6 220 42 B H E -C 259 0C 83 39,-0.2 2,-0.5 -8,-0.1 39,-0.2 -0.996 60.8-149.0-140.0 131.5 26.2 8.3 17.7 221 43 B L E -C 258 0C 18 37,-2.0 37,-1.9 -2,-0.4 2,-0.2 -0.878 15.9-153.5-101.8 125.2 23.6 5.8 18.8 222 44 B S E > -C 257 0C 46 -2,-0.5 4,-2.7 35,-0.2 5,-0.4 -0.512 33.0-100.7 -87.9 166.4 23.7 2.4 17.2 223 45 B M H > S+ 0 0 67 33,-0.6 4,-3.3 1,-0.2 5,-0.2 0.952 124.0 46.4 -49.0 -57.0 20.6 0.2 16.8 224 46 B E H > S+ 0 0 151 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.870 113.3 49.1 -54.7 -44.9 21.7 -2.0 19.8 225 47 B E H > S+ 0 0 72 2,-0.2 4,-0.9 1,-0.2 3,-0.2 0.975 116.0 41.1 -60.7 -58.4 22.5 1.0 22.0 226 48 B F H >X S+ 0 0 24 -4,-2.7 4,-2.7 1,-0.3 3,-0.9 0.891 114.1 54.2 -56.0 -43.6 19.2 2.8 21.3 227 49 B K H 3X S+ 0 0 66 -4,-3.3 4,-1.0 -5,-0.4 -1,-0.3 0.864 108.0 49.9 -60.3 -34.8 17.4 -0.5 21.5 228 50 B K H 3< S+ 0 0 137 -4,-2.0 -1,-0.3 -5,-0.2 4,-0.2 0.634 112.8 48.6 -78.4 -14.3 19.0 -0.9 25.0 229 51 B I H X< S+ 0 0 70 -3,-0.9 3,-0.7 -4,-0.9 4,-0.4 0.859 108.0 48.9 -90.0 -46.2 17.8 2.6 26.0 230 52 B Y H >X S+ 0 0 29 -4,-2.7 3,-0.9 1,-0.3 4,-0.9 0.797 108.1 58.9 -64.3 -27.6 14.2 2.4 24.9 231 53 B G T 3< S+ 0 0 24 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.768 94.7 62.6 -71.7 -26.6 14.1 -0.9 26.8 232 54 B N T <4 S+ 0 0 106 -3,-0.7 -1,-0.2 -4,-0.2 -2,-0.2 0.611 96.1 62.9 -72.2 -14.0 15.1 1.0 30.0 233 55 B F T <4 S+ 0 0 123 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.899 114.5 28.4 -75.9 -45.9 11.9 2.9 29.6 234 56 B F S < S+ 0 0 42 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.1 -0.634 70.1 164.8-114.2 69.5 9.7 -0.2 30.0 235 57 B P S S+ 0 0 94 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 0.774 74.9 59.6 -57.9 -21.3 11.9 -2.4 32.2 236 58 B Y S S+ 0 0 225 -3,-0.1 2,-0.2 73,-0.1 -4,-0.0 -0.786 108.0 28.8-108.3 82.4 8.8 -4.4 32.8 237 59 B G S S- 0 0 44 -2,-0.8 2,-0.4 -3,-0.1 72,-0.1 -0.471 91.9 -73.8 140.8 150.2 7.8 -5.5 29.3 238 60 B D + 0 0 69 70,-0.6 4,-0.1 -2,-0.2 72,-0.1 -0.563 49.9 152.1 -73.7 123.8 9.0 -6.4 25.8 239 61 B A > + 0 0 6 -2,-0.4 4,-1.7 -12,-0.1 -1,-0.1 0.311 38.7 105.0-133.2 4.8 10.1 -3.2 23.9 240 62 B S H > S+ 0 0 52 1,-0.2 4,-0.9 2,-0.2 -9,-0.1 0.816 82.9 44.6 -58.7 -38.7 12.8 -4.6 21.5 241 63 B K H > S+ 0 0 70 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.904 110.7 50.8 -75.2 -45.8 10.6 -4.6 18.3 242 64 B F H > S+ 0 0 2 63,-0.3 4,-2.1 1,-0.2 5,-0.2 0.874 103.9 60.8 -60.5 -38.7 9.0 -1.2 18.7 243 65 B A H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.896 99.1 56.5 -56.0 -42.8 12.4 0.4 19.3 244 66 B E H X S+ 0 0 67 -4,-0.9 4,-3.0 -3,-0.3 -1,-0.2 0.902 107.1 49.5 -57.4 -42.7 13.5 -0.8 15.8 245 67 B H H X S+ 0 0 16 -4,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.925 112.4 44.7 -65.6 -45.7 10.6 1.1 14.2 246 68 B V H X S+ 0 0 4 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.857 114.7 51.0 -69.0 -28.0 11.3 4.4 16.0 247 69 B F H X S+ 0 0 10 -4,-2.6 4,-0.8 -5,-0.2 -2,-0.2 0.958 110.8 47.9 -69.3 -49.8 15.0 4.0 15.2 248 70 B R H >< S+ 0 0 56 -4,-3.0 3,-0.6 1,-0.2 -2,-0.2 0.895 114.4 47.6 -55.4 -42.9 14.2 3.3 11.5 249 71 B T H 3< S+ 0 0 28 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.857 115.4 43.4 -70.4 -34.9 11.9 6.3 11.5 250 72 B F H 3< S+ 0 0 31 -4,-2.0 2,-1.1 -5,-0.2 -1,-0.2 0.325 86.5 92.3 -95.3 5.7 14.3 8.7 13.2 251 73 B D << - 0 0 13 -4,-0.8 3,-0.2 -3,-0.6 5,-0.1 -0.733 56.4-178.3-100.0 82.3 17.5 7.8 11.4 252 74 B A S S+ 0 0 29 -2,-1.1 -1,-0.2 1,-0.2 -144,-0.1 0.862 75.6 40.8 -47.4 -56.4 17.2 10.4 8.7 253 75 B N S S- 0 0 65 4,-0.2 -1,-0.2 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