==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LEUCINE-RICH REPEATS 05-NOV-96 1LRV . COMPND 2 MOLECULE: LEUCINE-RICH REPEAT VARIANT; . SOURCE 2 ORGANISM_SCIENTIFIC: AZOTOBACTER VINELANDII; . AUTHOR J.W.PETERS,M.H.B.STOWELL,D.C.REES . 233 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12991.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 67.4 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 . 2 0.9 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 . 1 0.4 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 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 0 3 0 6 0 0 0 0 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 . 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 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 9 A T 0 0 156 0, 0.0 2,-0.2 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 143.2 23.4 43.9 25.5 2 10 A P - 0 0 69 0, 0.0 2,-0.4 0, 0.0 22,-0.2 -0.571 360.0-162.2 -86.4 145.0 25.4 40.7 26.3 3 11 A I - 0 0 115 -2,-0.2 2,-0.4 20,-0.1 24,-0.0 -0.923 23.7-121.8-117.4 147.2 24.5 37.2 25.0 4 12 A G - 0 0 9 -2,-0.4 2,-1.8 26,-0.1 26,-0.1 -0.775 21.0-102.9-102.6 145.3 26.0 34.2 26.7 5 13 A D >> + 0 0 113 -2,-0.4 3,-1.5 1,-0.2 4,-1.3 -0.219 38.4 176.3 -57.3 83.3 28.2 31.3 25.5 6 14 A C T 34 + 0 0 33 -2,-1.8 6,-0.3 1,-0.3 -1,-0.2 0.751 66.1 83.4 -61.2 -24.6 25.5 28.6 25.2 7 15 A R T 34 S+ 0 0 192 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.781 105.8 23.0 -50.1 -36.8 28.2 26.3 23.9 8 16 A V T <4 S+ 0 0 124 -3,-1.5 -1,-0.2 4,-0.0 -2,-0.2 0.695 96.3 106.7-102.9 -29.4 29.4 25.4 27.4 9 17 A C S >< S- 0 0 32 -4,-1.3 3,-1.3 1,-0.2 4,-0.3 -0.229 71.5-131.6 -52.6 138.1 26.3 26.1 29.5 10 18 A S T 3 S+ 0 0 89 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.597 100.5 69.6 -70.8 -9.9 24.6 22.9 30.6 11 19 A F T 3>>S+ 0 0 31 1,-0.2 5,-2.6 2,-0.1 4,-0.7 0.385 73.4 86.0 -89.8 4.9 21.2 24.2 29.5 12 20 A R T <4>S+ 0 0 67 -3,-1.3 5,-0.6 -6,-0.3 -1,-0.2 0.878 91.8 47.7 -70.7 -36.8 22.1 24.0 25.8 13 21 A M T 45S+ 0 0 136 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.589 133.0 9.0 -81.2 -8.4 21.0 20.3 25.7 14 22 A S T 45S+ 0 0 49 -3,-0.2 6,-0.2 -4,-0.1 -2,-0.2 0.694 126.3 37.9-136.1 -60.8 17.7 21.0 27.5 15 23 A L T ><>S+ 0 0 19 -4,-0.7 5,-1.6 2,-0.1 6,-1.4 0.877 117.4 51.1 -72.0 -38.4 16.3 24.5 28.3 16 24 A L G > > -A 26 0A 60 4,-2.1 3,-2.9 -2,-0.3 4,-1.8 -0.835 34.3-103.9-156.6 123.6 16.9 31.9 25.0 23 31 A P T 34 S+ 0 0 52 0, 0.0 -20,-0.1 0, 0.0 3,-0.1 -0.045 106.8 9.1 -49.7 137.6 20.1 33.9 24.4 24 32 A G T 34 S+ 0 0 25 -22,-0.2 3,-0.1 1,-0.2 -21,-0.1 0.317 133.7 52.4 73.4 -9.2 19.7 37.6 24.9 25 33 A D T <4 S+ 0 0 69 -3,-2.9 2,-0.5 1,-0.1 13,-0.3 0.686 118.6 8.9-119.8 -67.0 16.2 37.0 26.4 26 34 A A B < S+A 22 0A 0 -4,-1.8 -4,-2.1 12,-0.2 2,-0.3 -0.851 82.1 135.9-125.1 98.2 16.1 34.5 29.2 27 35 A C - 0 0 16 -2,-0.5 3,-0.4 -6,-0.2 5,-0.2 -0.997 38.4-165.2-144.8 137.7 19.6 33.4 30.4 28 36 A V S S+ 0 0 7 -2,-0.3 8,-0.1 1,-0.2 -1,-0.1 0.658 85.4 72.7 -89.0 -26.3 21.3 32.8 33.8 29 37 A A S S+ 0 0 57 2,-0.1 2,-0.4 -25,-0.1 -1,-0.2 0.413 85.1 77.4 -73.7 5.4 24.7 32.7 32.4 30 38 A V S S- 0 0 11 -3,-0.4 2,-2.3 2,-0.2 6,-0.2 -0.877 85.5-119.9-116.5 147.1 24.9 36.4 31.8 31 39 A E S S+ 0 0 149 -2,-0.4 2,-0.5 4,-0.1 -2,-0.1 -0.205 76.1 117.0 -77.3 53.8 25.5 39.2 34.2 32 40 A S > - 0 0 17 -2,-2.3 4,-3.5 -5,-0.2 5,-0.3 -0.957 56.2-154.8-125.9 119.5 22.1 40.8 33.4 33 41 A G H > S+ 0 0 19 -2,-0.5 4,-2.7 1,-0.2 -1,-0.1 0.800 97.5 51.8 -57.7 -33.4 19.3 41.1 35.9 34 42 A R H > S+ 0 0 199 2,-0.2 4,-2.9 3,-0.2 -1,-0.2 0.946 114.8 39.4 -68.2 -55.5 16.7 41.1 33.1 35 43 A Q H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.964 119.1 48.1 -62.6 -45.5 17.9 38.0 31.4 36 44 A I H X S+ 0 0 0 -4,-3.5 4,-2.1 1,-0.2 5,-0.2 0.926 113.2 48.7 -60.8 -43.7 18.5 36.4 34.8 37 45 A D H X S+ 0 0 22 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 0.932 111.9 47.1 -61.0 -49.2 15.1 37.4 36.1 38 46 A R H X S+ 0 0 84 -4,-2.9 4,-2.4 -13,-0.3 -2,-0.2 0.910 108.8 57.9 -59.8 -37.5 13.3 36.1 32.9 39 47 A F H X S+ 0 0 1 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.904 112.0 38.8 -59.0 -48.2 15.3 32.8 33.3 40 48 A F H < S+ 0 0 0 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.827 108.5 61.2 -74.8 -30.8 14.0 32.2 36.8 41 49 A R H < S+ 0 0 146 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.946 113.1 41.7 -57.8 -39.3 10.5 33.4 35.8 42 50 A N H < S+ 0 0 78 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.816 131.6 19.9 -74.1 -39.6 10.7 30.5 33.4 43 51 A N >< + 0 0 14 -4,-1.7 3,-2.0 -5,-0.2 4,-0.5 -0.470 65.5 168.9-133.0 68.3 12.3 27.9 35.6 44 52 A P G >> + 0 0 50 0, 0.0 3,-1.8 0, 0.0 4,-0.5 0.815 68.1 74.6 -51.0 -34.7 11.8 28.9 39.2 45 53 A H G 34 S+ 0 0 157 1,-0.3 4,-0.2 2,-0.2 3,-0.1 0.603 91.5 53.5 -56.7 -15.4 12.9 25.4 40.5 46 54 A L G X4 S+ 0 0 34 -3,-2.0 3,-1.3 1,-0.2 4,-0.5 0.629 85.1 84.0 -92.9 -21.3 16.6 26.1 39.8 47 55 A A G X> S+ 0 0 0 -3,-1.8 3,-2.7 -4,-0.5 4,-0.5 0.902 81.3 63.5 -45.5 -45.8 16.6 29.3 41.8 48 56 A V G >< S+ 0 0 66 -4,-0.5 3,-1.0 1,-0.3 -1,-0.3 0.850 100.1 54.5 -51.5 -36.1 17.2 27.3 44.9 49 57 A Q G <4 S+ 0 0 137 -3,-1.3 3,-0.4 1,-0.2 -1,-0.3 0.600 100.4 59.5 -75.5 -12.7 20.5 26.2 43.4 50 58 A Y G X4 S+ 0 0 45 -3,-2.7 3,-2.3 -4,-0.5 -1,-0.2 0.545 71.2 103.7 -98.4 4.9 21.7 29.8 42.8 51 59 A L T << S+ 0 0 21 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.1 0.548 86.0 41.9 -61.1 -12.7 21.5 30.8 46.5 52 60 A A T 3 S+ 0 0 96 -3,-0.4 -1,-0.3 7,-0.0 -2,-0.1 0.067 83.6 141.7-122.0 23.0 25.3 30.6 47.0 53 61 A D < - 0 0 24 -3,-2.3 6,-0.2 1,-0.1 -3,-0.1 -0.397 54.9-132.2 -66.7 142.0 26.2 32.2 43.6 54 62 A P S S+ 0 0 122 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.652 87.8 82.7 -67.2 -22.6 29.3 34.6 43.6 55 63 A F S > S- 0 0 42 1,-0.2 4,-2.8 2,-0.0 5,-0.2 -0.805 71.0-152.5 -90.4 116.8 27.4 37.3 41.6 56 64 A W H > S+ 0 0 98 -2,-0.8 4,-4.5 1,-0.2 5,-0.2 0.880 93.4 49.3 -51.5 -51.9 25.3 39.4 44.0 57 65 A E H > S+ 0 0 54 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.907 112.8 47.4 -58.0 -44.0 22.6 40.3 41.4 58 66 A R H > S+ 0 0 32 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.952 116.1 45.4 -62.6 -44.8 22.2 36.7 40.3 59 67 A R H X S+ 0 0 26 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.961 113.1 51.3 -61.1 -49.2 22.0 35.7 44.1 60 68 A A H X S+ 0 0 6 -4,-4.5 4,-0.8 1,-0.2 -1,-0.2 0.831 110.0 47.6 -58.6 -39.3 19.6 38.5 44.7 61 69 A I H < S+ 0 0 6 -4,-2.5 4,-0.5 1,-0.2 3,-0.5 0.867 107.2 57.8 -71.4 -36.3 17.3 37.6 41.8 62 70 A A H >X S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.2 4,-1.9 0.879 96.6 62.0 -60.9 -38.9 17.3 33.9 42.9 63 71 A V H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.871 94.7 63.7 -53.1 -41.2 16.0 34.8 46.4 64 72 A R T 3< S+ 0 0 110 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.755 115.7 28.0 -57.6 -25.9 12.9 36.2 44.7 65 73 A Y T <4 S+ 0 0 42 -3,-2.0 -2,-0.2 -4,-0.5 -1,-0.2 0.594 95.1 101.5-115.8 -12.2 12.0 32.7 43.4 66 74 A S S < S- 0 0 2 -4,-1.9 2,-0.3 -19,-0.2 -21,-0.1 -0.140 87.8 -89.3 -66.8 162.4 13.5 30.2 46.0 67 75 A P > - 0 0 67 0, 0.0 3,-1.0 0, 0.0 4,-0.4 -0.642 42.0-119.9 -73.3 141.8 11.2 28.6 48.6 68 76 A V G > S+ 0 0 42 -2,-0.3 3,-1.4 1,-0.2 4,-0.4 0.786 107.7 63.1 -53.2 -31.2 11.2 31.0 51.5 69 77 A E G > S+ 0 0 131 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.907 94.7 60.3 -65.0 -36.5 12.6 28.4 54.0 70 78 A A G < S+ 0 0 36 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.709 92.0 75.1 -65.1 -10.4 15.8 28.2 52.0 71 79 A L G X + 0 0 0 -3,-1.4 3,-3.3 -4,-0.4 4,-0.4 0.774 66.1 87.2 -73.7 -29.0 16.3 31.9 52.7 72 80 A T G X S+ 0 0 44 -3,-1.2 3,-2.0 -4,-0.4 4,-0.4 0.837 83.4 57.1 -38.3 -52.1 17.4 31.7 56.4 73 81 A P G 3 S+ 0 0 92 0, 0.0 3,-0.5 0, 0.0 -1,-0.3 0.694 101.3 62.6 -57.5 -16.8 21.1 31.3 55.6 74 82 A L G X S+ 0 0 11 -3,-3.3 3,-2.7 1,-0.2 -2,-0.2 0.682 73.6 87.3 -83.6 -17.7 20.8 34.6 53.6 75 83 A I T < S+ 0 0 13 -3,-2.0 -1,-0.2 -4,-0.4 -3,-0.1 0.777 96.0 46.7 -49.2 -29.0 19.8 36.7 56.7 76 84 A R T 3 S+ 0 0 187 -3,-0.5 -1,-0.3 -4,-0.4 2,-0.1 -0.034 82.9 148.6-105.9 29.8 23.6 37.1 57.0 77 85 A D < - 0 0 20 -3,-2.7 6,-0.1 1,-0.1 -3,-0.1 -0.425 48.4-136.5 -69.1 141.1 24.4 37.9 53.4 78 86 A S S S+ 0 0 107 -2,-0.1 2,-0.5 4,-0.1 -1,-0.1 0.675 85.9 70.0 -68.0 -24.6 27.4 40.1 52.8 79 87 A D S >> S- 0 0 31 1,-0.1 4,-1.6 -23,-0.1 3,-0.5 -0.883 72.7-145.8 -99.8 133.0 25.7 42.2 50.1 80 88 A E H 3> S+ 0 0 75 -2,-0.5 4,-3.1 1,-0.2 5,-0.2 0.816 96.1 59.7 -64.5 -35.0 22.8 44.6 51.1 81 89 A V H 3> S+ 0 0 45 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.856 106.8 48.5 -63.8 -32.1 20.8 44.1 47.9 82 90 A V H <> S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.909 111.5 49.1 -72.1 -42.0 20.5 40.4 48.7 83 91 A R H X S+ 0 0 18 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.920 109.3 52.4 -64.3 -39.1 19.5 41.1 52.2 84 92 A R H X S+ 0 0 75 -4,-3.1 4,-1.1 1,-0.2 -1,-0.2 0.909 109.8 49.9 -62.7 -38.5 16.9 43.6 51.0 85 93 A A H >< S+ 0 0 15 -4,-1.9 3,-0.6 1,-0.2 4,-0.4 0.951 110.7 49.0 -63.6 -47.5 15.6 40.8 48.7 86 94 A V H >X S+ 0 0 0 -4,-2.6 3,-2.4 1,-0.2 4,-2.3 0.915 101.9 64.5 -56.6 -45.2 15.4 38.4 51.6 87 95 A A H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.804 96.7 55.4 -47.9 -41.7 13.6 41.0 53.8 88 96 A Y T << S+ 0 0 159 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.601 119.7 31.4 -70.6 -16.1 10.5 41.0 51.5 89 97 A R T <4 S+ 0 0 76 -3,-2.4 -2,-0.2 -4,-0.4 -1,-0.2 0.700 81.5 117.7-119.2 -17.9 10.2 37.2 51.9 90 98 A L S < S- 0 0 1 -4,-2.3 2,-0.4 1,-0.1 -21,-0.1 -0.018 81.1 -99.1 -45.4 146.9 11.4 36.1 55.3 91 99 A P - 0 0 35 0, 0.0 4,-0.4 0, 0.0 3,-0.3 -0.667 44.1-111.1 -66.8 127.1 8.6 34.5 57.3 92 100 A R S > S+ 0 0 159 -2,-0.4 3,-3.1 1,-0.2 4,-0.3 0.805 112.6 61.8 -24.3 -65.9 7.7 37.5 59.4 93 101 A E G > S+ 0 0 135 1,-0.3 3,-1.7 2,-0.2 2,-0.3 0.833 97.0 51.4 -29.1 -79.8 9.0 35.8 62.5 94 102 A Q G > S+ 0 0 66 -3,-0.3 3,-0.9 1,-0.3 -1,-0.3 0.467 88.3 94.6 -49.6 6.2 12.7 35.4 61.6 95 103 A L G X> + 0 0 0 -3,-3.1 3,-2.5 -4,-0.4 4,-1.2 0.824 63.1 74.1 -71.1 -31.6 12.5 39.2 60.7 96 104 A S G <4 S+ 0 0 47 -3,-1.7 4,-0.4 1,-0.3 -1,-0.2 0.826 86.2 67.4 -52.4 -26.1 13.8 40.3 64.1 97 105 A A G <4 S+ 0 0 69 -3,-0.9 3,-0.3 1,-0.2 -1,-0.3 0.840 107.3 36.8 -66.1 -26.9 17.2 39.0 62.9 98 106 A L T X4 S+ 0 0 2 -3,-2.5 3,-2.5 -4,-0.3 -1,-0.2 0.582 88.2 102.2 -96.7 -16.9 17.3 41.9 60.3 99 107 A M T 3< S+ 0 0 3 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.669 87.4 38.4 -40.7 -30.6 15.6 44.5 62.6 100 108 A F T 3 S+ 0 0 148 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 -0.011 86.9 160.0-116.0 32.4 19.0 46.2 63.4 101 109 A D < - 0 0 18 -3,-2.5 6,-0.2 1,-0.1 -3,-0.1 -0.201 49.8-128.7 -59.2 137.8 20.4 45.9 59.9 102 110 A E S S+ 0 0 177 1,-0.1 2,-0.6 4,-0.1 -1,-0.1 0.533 92.3 79.2 -64.8 -3.5 23.3 48.2 58.9 103 111 A D >> - 0 0 22 1,-0.1 4,-1.9 -23,-0.1 3,-0.8 -0.919 69.1-153.4-113.6 119.7 21.2 49.0 55.8 104 112 A R H 3> S+ 0 0 76 -2,-0.6 4,-2.4 1,-0.3 5,-0.2 0.775 93.6 55.4 -59.8 -30.4 18.4 51.5 56.0 105 113 A E H 3> S+ 0 0 78 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.860 106.6 51.7 -72.4 -33.4 16.3 50.0 53.1 106 114 A V H <> S+ 0 0 0 -3,-0.8 4,-2.6 2,-0.2 -2,-0.2 0.954 111.7 47.8 -64.5 -45.8 16.3 46.6 54.7 107 115 A R H X S+ 0 0 23 -4,-1.9 4,-2.9 1,-0.3 5,-0.2 0.893 107.4 53.8 -64.0 -42.8 15.0 48.2 57.9 108 116 A I H X S+ 0 0 8 -4,-2.4 4,-1.3 1,-0.2 -1,-0.3 0.898 111.0 49.9 -59.8 -34.9 12.3 50.2 56.2 109 117 A T H >X S+ 0 0 14 -4,-1.5 4,-1.3 2,-0.2 3,-0.6 0.969 110.4 45.4 -70.3 -49.3 11.2 46.9 54.8 110 118 A V H 3X S+ 0 0 0 -4,-2.6 4,-3.6 1,-0.3 3,-0.4 0.892 109.3 58.7 -62.3 -32.7 11.2 44.9 58.0 111 119 A A H 3< S+ 0 0 0 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.839 105.1 48.8 -61.7 -38.5 9.3 47.9 59.7 112 120 A D H << S+ 0 0 100 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.798 120.8 39.6 -71.2 -22.2 6.6 47.5 57.1 113 121 A R H < S+ 0 0 55 -4,-1.3 -2,-0.2 -3,-0.4 -3,-0.2 0.864 88.1 99.0 -96.7 -42.1 6.5 43.8 57.9 114 122 A L S < S- 0 0 0 -4,-3.6 2,-0.2 1,-0.1 -21,-0.0 -0.204 79.8-107.6 -53.2 137.6 7.0 43.4 61.7 115 123 A P > - 0 0 41 0, 0.0 4,-1.7 0, 0.0 3,-0.2 -0.455 46.5-101.2 -62.7 134.9 3.9 42.8 63.9 116 124 A L T >4 S+ 0 0 65 1,-0.2 3,-6.7 2,-0.2 4,-0.3 0.695 112.4 47.5 -37.9 -93.2 3.2 46.0 65.8 117 125 A E G >> S+ 0 0 150 1,-0.3 3,-1.0 2,-0.2 4,-0.9 0.653 114.5 47.5 -9.8 -76.1 4.6 45.5 69.4 118 126 A Q G >4 S+ 0 0 61 1,-0.3 3,-1.1 -3,-0.2 -1,-0.3 0.875 107.1 63.6 -41.8 -37.2 7.9 44.1 68.1 119 127 A L G X< S+ 0 0 0 -3,-6.7 3,-3.5 -4,-1.7 4,-0.3 0.916 87.6 66.2 -51.4 -57.3 7.6 47.2 65.8 120 128 A E G X4 S+ 0 0 43 -3,-1.0 3,-2.1 -4,-0.3 -1,-0.2 0.767 86.5 73.5 -36.2 -32.9 7.8 49.6 68.9 121 129 A Q G << S+ 0 0 123 -3,-1.1 -1,-0.3 -4,-0.9 3,-0.3 0.644 93.5 52.7 -60.3 -16.3 11.4 48.3 69.3 122 130 A M G X S+ 0 0 4 -3,-3.5 3,-2.4 1,-0.2 -1,-0.3 0.520 76.2 103.2 -98.7 -1.8 12.4 50.3 66.2 123 131 A A T < S+ 0 0 10 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.1 0.599 80.3 53.0 -55.1 -15.4 10.9 53.6 67.6 124 132 A A T 3 S+ 0 0 96 -3,-0.3 -1,-0.3 -4,-0.2 2,-0.1 0.085 75.4 145.5-111.2 20.9 14.4 54.8 68.4 125 133 A D < - 0 0 21 -3,-2.4 6,-0.2 1,-0.1 -3,-0.1 -0.378 52.6-135.3 -61.5 131.6 15.9 54.2 65.0 126 134 A R S S+ 0 0 193 -2,-0.1 2,-0.6 1,-0.1 -1,-0.1 0.780 85.5 84.1 -54.8 -31.2 18.6 56.9 64.1 127 135 A D S >> S- 0 0 10 1,-0.1 4,-2.0 -23,-0.0 3,-0.8 -0.714 72.6-146.5 -85.5 120.0 17.0 57.1 60.7 128 136 A Y H 3> S+ 0 0 90 -2,-0.6 4,-2.3 1,-0.2 -1,-0.1 0.732 96.2 56.0 -53.6 -35.8 14.0 59.3 60.1 129 137 A L H 3> S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.918 106.2 49.2 -66.4 -40.3 12.4 57.1 57.5 130 138 A V H <> S+ 0 0 0 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.947 112.6 49.4 -63.3 -43.2 12.3 54.0 59.7 131 139 A R H X S+ 0 0 15 -4,-2.0 4,-3.2 1,-0.3 5,-0.3 0.911 108.0 52.9 -62.1 -43.0 10.7 56.2 62.4 132 140 A A H X S+ 0 0 7 -4,-2.3 4,-1.4 1,-0.2 -1,-0.3 0.872 107.2 52.7 -60.0 -37.2 8.2 57.4 59.9 133 141 A Y H X S+ 0 0 86 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.944 111.8 46.4 -65.3 -41.5 7.3 53.8 59.1 134 142 A V H >X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 3,-1.7 0.980 110.9 50.1 -62.6 -58.0 6.8 53.2 62.8 135 143 A V H 3< S+ 0 0 0 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.766 106.1 58.7 -52.0 -28.3 4.7 56.3 63.4 136 144 A Q H 3< S+ 0 0 107 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.849 117.0 30.8 -71.9 -30.6 2.6 55.3 60.5 137 145 A R H << S+ 0 0 70 -3,-1.7 -2,-0.2 -4,-1.1 -3,-0.1 0.840 91.2 87.9-100.4 -45.6 1.7 52.0 62.1 138 146 A I S < S- 0 0 1 -4,-2.1 5,-0.1 1,-0.1 -22,-0.0 -0.244 91.0 -84.3 -56.3 154.2 1.5 52.0 65.9 139 147 A P > - 0 0 68 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.225 40.5-107.0 -58.9 153.2 -1.9 53.0 67.4 140 148 A P G > S+ 0 0 55 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.800 114.6 62.0 -52.8 -36.9 -2.7 56.7 67.8 141 149 A G G 3 S+ 0 0 52 1,-0.3 3,-0.5 2,-0.1 21,-0.0 0.696 98.3 55.7 -66.6 -19.3 -2.3 56.7 71.6 142 150 A R G X S+ 0 0 123 -3,-2.0 3,-0.8 1,-0.2 -1,-0.3 0.492 86.1 87.0 -91.6 1.4 1.3 55.7 71.4 143 151 A L G X> + 0 0 0 -3,-1.4 3,-2.0 -4,-0.4 4,-0.6 0.646 64.1 80.3 -74.2 -20.0 2.1 58.7 69.2 144 152 A F G 34 S+ 0 0 77 -3,-0.5 3,-0.4 1,-0.3 -1,-0.2 0.741 84.1 61.9 -60.6 -28.1 2.8 61.2 72.0 145 153 A R G <4 S+ 0 0 141 -3,-0.8 -1,-0.3 1,-0.2 3,-0.1 0.597 108.2 46.1 -73.2 -9.1 6.3 60.0 72.6 146 154 A F T X4 S+ 0 0 6 -3,-2.0 3,-2.7 1,-0.1 -2,-0.2 0.558 80.7 102.2-107.1 -11.7 6.9 61.1 69.0 147 155 A M T 3< S+ 0 0 18 -4,-0.6 -2,-0.1 -3,-0.4 -1,-0.1 0.624 90.1 36.5 -44.7 -31.6 5.3 64.5 69.2 148 156 A R T 3 S+ 0 0 175 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 -0.056 81.2 156.4-117.2 30.9 8.6 66.3 69.5 149 157 A D < - 0 0 18 -3,-2.7 6,-0.1 1,-0.2 -3,-0.1 -0.196 51.2-122.7 -54.3 147.3 10.6 64.1 67.1 150 158 A E S S+ 0 0 145 4,-0.0 2,-0.5 1,-0.0 -1,-0.2 0.534 89.4 79.2 -74.9 4.3 13.6 66.0 65.7 151 159 A D > - 0 0 35 1,-0.1 4,-2.3 -23,-0.1 5,-0.2 -0.921 67.7-149.6-116.5 134.3 12.5 65.4 62.2 152 160 A R H > S+ 0 0 115 -2,-0.5 4,-2.0 1,-0.2 5,-0.2 0.815 96.1 56.8 -68.9 -28.6 9.8 67.2 60.3 153 161 A Q H > S+ 0 0 63 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.957 110.9 42.9 -71.0 -44.4 8.7 64.3 58.1 154 162 A V H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.949 114.1 52.1 -68.0 -35.5 8.0 62.1 61.1 155 163 A R H X S+ 0 0 27 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.838 104.7 55.4 -66.9 -29.9 6.2 65.0 62.9 156 164 A K H X S+ 0 0 40 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.933 109.2 48.2 -65.4 -42.0 4.0 65.7 60.0 157 165 A L H X S+ 0 0 34 -4,-1.7 4,-1.7 2,-0.2 3,-0.3 0.897 110.2 51.5 -64.9 -39.7 2.9 62.1 60.2 158 166 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 3,-0.4 0.963 106.9 53.1 -61.5 -49.3 2.3 62.4 63.9 159 167 A A H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.761 108.1 54.1 -54.7 -27.8 0.2 65.5 63.4 160 168 A K H < S+ 0 0 124 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.887 119.7 27.6 -75.8 -43.8 -1.9 63.5 60.9 161 169 A R H < S+ 0 0 64 -4,-1.7 -2,-0.2 -3,-0.4 -1,-0.1 0.505 86.4 116.8 -98.6 -11.1 -2.7 60.6 63.2 162 170 A L S < S- 0 0 0 -4,-2.5 5,-0.1 -5,-0.2 -21,-0.1 -0.307 82.4 -88.8 -56.4 143.7 -2.6 62.2 66.7 163 171 A P >> - 0 0 32 0, 0.0 3,-1.7 0, 0.0 4,-0.9 -0.367 33.5-121.2 -63.0 134.6 -6.1 62.0 68.3 164 172 A E G >4 S+ 0 0 78 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.861 109.0 55.5 -36.8 -54.4 -8.2 65.0 67.5 165 173 A E G 34 S+ 0 0 173 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.721 111.6 42.4 -56.7 -32.3 -8.7 65.9 71.2 166 174 A S G X4 S+ 0 0 37 -3,-1.7 3,-1.9 1,-0.2 -1,-0.3 0.494 85.2 100.3 -95.7 -1.5 -5.0 66.1 71.9 167 175 A L G X< + 0 0 0 -3,-1.7 3,-3.2 -4,-0.9 4,-0.4 0.714 64.0 72.9 -55.8 -32.3 -4.0 67.9 68.7 168 176 A G G 3 S+ 0 0 40 -4,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.660 81.7 76.1 -58.5 -14.8 -3.8 71.4 70.3 169 177 A L G < S+ 0 0 89 -3,-1.9 -1,-0.3 1,-0.2 3,-0.2 0.732 97.5 45.9 -67.5 -21.3 -0.6 70.1 71.8 170 178 A M S X S+ 0 0 1 -3,-3.2 3,-2.6 1,-0.1 -1,-0.2 0.563 78.7 102.4-100.1 -8.2 0.9 70.6 68.3 171 179 A T T 3 S+ 0 0 6 -3,-0.4 -1,-0.1 -4,-0.4 -2,-0.1 0.512 84.0 47.9 -55.8 -8.5 -0.3 74.1 67.4 172 180 A Q T 3 S+ 0 0 137 -3,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.164 73.2 142.3-119.0 20.1 3.0 75.7 68.2 173 181 A D < - 0 0 13 -3,-2.6 6,-0.3 1,-0.2 -3,-0.1 -0.427 55.2-131.7 -58.6 130.8 5.1 73.3 66.3 174 182 A P S S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.704 84.8 86.2 -56.7 -28.4 7.9 75.4 64.8 175 183 A E S > S- 0 0 40 1,-0.1 4,-2.0 2,-0.0 3,-0.5 -0.723 70.1-149.5 -83.4 122.8 7.5 73.9 61.3 176 184 A P H > S+ 0 0 35 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.849 95.2 58.8 -58.3 -38.6 4.7 75.6 59.2 177 185 A E H > S+ 0 0 55 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.892 107.7 48.0 -60.1 -40.2 3.8 72.4 57.3 178 186 A V H > S+ 0 0 0 -3,-0.5 4,-2.9 2,-0.2 3,-0.3 0.962 111.4 47.4 -64.8 -52.7 3.0 70.7 60.6 179 187 A R H X S+ 0 0 24 -4,-2.0 4,-3.3 -6,-0.3 -2,-0.2 0.883 110.3 56.7 -57.6 -32.8 0.9 73.6 61.9 180 188 A R H X S+ 0 0 89 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.897 108.3 44.1 -67.1 -40.2 -0.8 73.5 58.5 181 189 A I H X S+ 0 0 25 -4,-1.8 4,-0.7 -3,-0.3 3,-0.3 0.916 115.4 49.0 -72.4 -34.8 -1.8 69.9 58.9 182 190 A V H >X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 3,-2.1 0.970 108.0 55.2 -61.6 -51.9 -2.9 70.5 62.5 183 191 A A H 3< S+ 0 0 0 -4,-3.3 -1,-0.2 1,-0.3 26,-0.2 0.779 104.7 54.5 -51.5 -30.2 -4.9 73.5 61.3 184 192 A S H 3< S+ 0 0 49 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.652 112.6 40.8 -83.5 -13.9 -6.7 71.3 58.9 185 193 A R H << S+ 0 0 58 -3,-2.1 -2,-0.2 -4,-0.7 -1,-0.2 0.751 93.3 92.2-100.3 -33.6 -7.9 68.8 61.4 186 194 A L < - 0 0 2 -4,-2.4 2,-0.3 -5,-0.1 23,-0.1 -0.256 61.9-151.9 -61.1 149.9 -8.9 71.0 64.3 187 195 A R > - 0 0 112 -23,-0.1 3,-1.2 23,-0.0 4,-0.2 -0.900 45.0 -23.8-128.7 136.1 -12.5 72.2 64.5 188 196 A G G >> S+ 0 0 27 21,-0.8 3,-1.0 -2,-0.3 4,-0.6 -0.193 123.4 5.0 76.8-126.8 -14.2 75.5 66.0 189 197 A D G 34 S+ 0 0 122 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.484 120.1 70.8 -78.9 0.8 -12.5 77.5 68.7 190 198 A D G X4 S+ 0 0 90 -3,-1.2 3,-0.7 1,-0.2 4,-0.4 0.827 95.2 57.7 -78.5 -32.2 -9.5 75.4 68.6 191 199 A L G X> S+ 0 0 0 -3,-1.0 4,-1.9 1,-0.2 3,-1.5 0.812 82.5 82.4 -66.4 -35.2 -8.8 77.0 65.2 192 200 A L G 3< S+ 0 0 55 -4,-0.6 4,-0.2 1,-0.3 -1,-0.2 0.765 88.2 54.2 -44.4 -39.0 -8.8 80.7 66.5 193 201 A E G X4 S+ 0 0 93 -3,-0.7 3,-1.0 -4,-0.3 -1,-0.3 0.905 110.2 48.2 -65.7 -39.6 -5.2 80.5 67.6 194 202 A L G X4 S+ 0 0 0 -3,-1.5 3,-3.0 -4,-0.4 -2,-0.2 0.871 96.3 70.4 -68.6 -37.8 -4.3 79.3 64.1 195 203 A L G 3< S+ 0 0 2 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.584 104.4 44.9 -56.3 -9.2 -6.3 82.1 62.4 196 204 A H G < S+ 0 0 108 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.2 0.122 82.4 136.6-121.5 18.1 -3.6 84.4 63.8 197 205 A D < - 0 0 9 -3,-3.0 6,-0.1 2,-0.1 -3,-0.1 -0.360 63.8-121.5 -65.5 144.7 -0.6 82.3 62.8 198 206 A P S S+ 0 0 118 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.436 95.0 72.0 -66.9 -0.7 2.3 84.3 61.2 199 207 A D S >> S- 0 0 47 1,-0.1 4,-2.3 -23,-0.1 3,-0.6 -0.983 71.6-148.3-123.4 125.4 2.1 82.2 58.0 200 208 A W H 3> S+ 0 0 86 -2,-0.4 4,-2.8 1,-0.2 5,-0.1 0.702 94.5 61.4 -63.9 -25.7 -0.8 82.6 55.5 201 209 A T H 3> S+ 0 0 29 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.907 109.7 40.4 -71.4 -40.1 -0.8 79.0 54.4 202 210 A V H <> S+ 0 0 0 -3,-0.6 4,-2.8 2,-0.2 -2,-0.2 0.952 116.6 51.1 -71.4 -42.1 -1.6 77.8 57.9 203 211 A R H X S+ 0 0 31 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.899 108.7 52.2 -56.0 -42.4 -4.0 80.7 58.3 204 212 A L H X S+ 0 0 41 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.899 109.9 47.9 -63.3 -41.3 -5.6 79.7 55.0 205 213 A A H >X S+ 0 0 16 -4,-1.9 4,-0.6 2,-0.2 3,-0.6 0.923 110.0 52.6 -64.8 -43.5 -6.0 76.1 56.2 206 214 A A H >X S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.2 4,-0.8 0.951 103.2 58.8 -57.4 -45.9 -7.6 77.5 59.5 207 215 A V H >< S+ 0 0 11 -4,-2.7 3,-0.7 1,-0.3 -1,-0.2 0.829 90.9 73.5 -53.0 -33.4 -10.0 79.5 57.5 208 216 A E H << S+ 0 0 125 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.829 115.3 13.5 -50.4 -47.6 -11.3 76.3 55.8 209 217 A H H << S+ 0 0 62 -3,-1.3 -21,-0.8 -4,-0.6 -1,-0.2 0.147 95.8 119.0-120.5 16.2 -13.2 75.1 58.9 210 218 A A S << S- 0 0 20 -4,-0.8 2,-0.3 -3,-0.7 -21,-0.1 -0.018 71.3 -89.3 -70.1-178.0 -13.4 78.0 61.3 211 219 A S >> - 0 0 39 -23,-0.2 4,-2.4 1,-0.1 3,-0.7 -0.763 25.8-124.6 -96.6 143.9 -16.6 79.5 62.4 212 220 A L H 3> S+ 0 0 90 -2,-0.3 4,-2.4 1,-0.3 -1,-0.1 0.941 114.1 57.1 -49.8 -45.4 -18.2 82.4 60.4 213 221 A E H 3> S+ 0 0 129 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.822 105.6 48.5 -56.2 -36.6 -18.2 84.4 63.7 214 222 A A H <> S+ 0 0 7 -3,-0.7 4,-0.8 2,-0.2 3,-0.3 0.928 108.9 55.3 -69.5 -41.8 -14.4 83.9 64.0 215 223 A L H >< S+ 0 0 11 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.920 103.1 55.3 -55.9 -47.2 -14.1 85.0 60.3 216 224 A R H 3< S+ 0 0 133 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.847 103.7 52.7 -57.2 -39.2 -15.9 88.3 61.0 217 225 A E H 3< S+ 0 0 113 -4,-1.2 2,-0.3 -3,-0.3 -1,-0.3 0.688 91.1 112.8 -69.8 -15.1 -13.6 89.3 63.8 218 226 A L << - 0 0 29 -3,-1.4 2,-0.9 -4,-0.8 -22,-0.0 -0.423 49.5-169.2 -70.6 125.0 -10.7 88.7 61.3 219 227 A D - 0 0 151 -2,-0.3 -1,-0.1 2,-0.0 -3,-0.1 -0.696 22.8-168.1-107.8 76.0 -8.6 91.6 60.0 220 228 A E - 0 0 9 -2,-0.9 6,-0.0 1,-0.1 -2,-0.0 -0.556 19.7-173.7 -77.3 119.0 -6.8 89.7 57.2 221 229 A P + 0 0 95 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.644 66.2 81.3 -80.6 -23.5 -3.8 91.4 55.5 222 230 A D > - 0 0 40 1,-0.1 4,-3.3 -22,-0.0 5,-0.2 -0.802 69.6-150.6 -87.1 127.5 -3.3 88.7 52.8 223 231 A P H > S+ 0 0 78 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.887 97.2 54.2 -65.0 -37.3 -5.7 89.1 49.8 224 232 A E H > S+ 0 0 120 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.945 114.9 39.1 -61.2 -47.6 -5.7 85.4 49.1 225 233 A V H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.926 114.1 55.3 -67.7 -43.2 -6.7 84.6 52.7 226 234 A R H X S+ 0 0 126 -4,-3.3 4,-2.8 1,-0.2 -2,-0.2 0.837 108.0 49.9 -58.9 -34.3 -9.1 87.6 52.7 227 235 A L H X S+ 0 0 125 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.904 109.9 49.1 -71.2 -41.9 -10.8 86.2 49.6 228 236 A A H < S+ 0 0 37 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.939 116.6 42.8 -61.8 -44.6 -11.2 82.7 51.2 229 237 A I H < S+ 0 0 7 -4,-3.1 -2,-0.2 1,-0.2 3,-0.2 0.924 111.5 55.8 -65.6 -42.8 -12.6 84.5 54.3 230 238 A A H < S+ 0 0 57 -4,-2.8 2,-2.2 1,-0.3 -2,-0.2 0.805 87.6 77.9 -58.4 -35.2 -14.6 86.7 51.9 231 239 A G < + 0 0 63 -4,-2.4 2,-0.7 1,-0.2 -1,-0.3 -0.153 55.9 128.2 -70.1 42.3 -16.1 83.5 50.4 232 240 A R 0 0 80 -2,-2.2 -1,-0.2 -3,-0.2 -3,-0.1 -0.489 360.0 360.0 -96.0 51.1 -18.3 83.5 53.5 233 241 A L 0 0 206 -2,-0.7 -2,-0.1 0, 0.0 -3,-0.1 0.272 360.0 360.0 57.5 360.0 -21.3 83.1 51.1