==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-SEP-06 2J4R . COMPND 2 MOLECULE: EXOPOLYPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR O.KRISTENSEN . 598 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27945.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 455 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 14.0 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 . 8 1.3 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 . 57 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 208 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.8 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 1 4 2 0 1 2 1 1 1 3 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 0 3 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 PARALLEL BRIDGES PER LADDER . 1 0 1 1 0 2 2 2 1 1 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 2 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 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 7 A P 0 0 169 0, 0.0 2,-0.2 0, 0.0 21,-0.1 0.000 360.0 360.0 360.0 -15.7 -1.9 -4.4 -15.4 2 8 A I - 0 0 95 19,-0.1 2,-0.5 1,-0.0 21,-0.2 -0.384 360.0-161.1 -63.5 125.6 -5.1 -3.7 -17.2 3 9 A M E -A 22 0A 55 19,-1.1 19,-2.5 -2,-0.2 2,-0.4 -0.945 2.2-157.6-112.8 125.3 -5.0 -5.0 -20.8 4 10 A R E -A 21 0A 88 -2,-0.5 17,-0.3 17,-0.3 2,-0.3 -0.806 11.2-177.6-105.3 144.7 -7.5 -3.7 -23.4 5 11 A V E -A 20 0A 8 15,-4.6 15,-4.3 -2,-0.4 2,-0.3 -0.885 6.1-166.5-134.1 164.7 -8.5 -5.5 -26.6 6 12 A A E -Ab 19 76A 1 69,-1.6 71,-1.7 13,-0.3 2,-0.3 -0.992 4.7-157.8-152.2 153.2 -10.7 -4.8 -29.6 7 13 A S E -Ab 18 77A 2 11,-1.3 11,-1.8 -2,-0.3 2,-0.4 -0.966 2.1-161.0-133.4 148.0 -12.3 -6.7 -32.4 8 14 A I E -Ab 17 78A 1 69,-1.5 71,-2.1 -2,-0.3 2,-0.6 -0.964 5.1-164.8-134.3 117.0 -13.5 -5.5 -35.8 9 15 A D E -Ab 16 79A 13 7,-1.8 7,-2.5 -2,-0.4 2,-1.0 -0.890 5.6-159.5-105.0 120.5 -15.9 -7.6 -37.8 10 16 A I E -Ab 15 80A 3 69,-2.7 71,-1.8 -2,-0.6 5,-0.2 -0.823 23.6-178.9 -99.8 97.8 -16.3 -6.7 -41.5 11 17 A G - 0 0 11 3,-2.8 28,-0.3 -2,-1.0 29,-0.0 -0.088 44.1 -96.0 -85.0-172.7 -19.6 -8.3 -42.4 12 18 A S S S+ 0 0 60 27,-0.1 28,-3.3 1,-0.1 29,-0.4 0.647 121.9 10.2 -80.3 -13.6 -21.5 -8.3 -45.7 13 19 A N S S+ 0 0 67 25,-0.2 25,-2.1 1,-0.2 24,-1.6 0.561 127.3 43.2-135.0 -27.1 -23.5 -5.4 -44.7 14 20 A S E - C 0 36A 30 22,-0.2 -3,-2.8 23,-0.2 2,-0.4 -0.802 55.6-148.2-125.9 165.9 -22.1 -4.0 -41.5 15 21 A V E -AC 10 35A 0 20,-1.8 20,-2.1 -2,-0.3 2,-0.4 -1.000 24.6-165.6-131.4 126.9 -18.7 -3.2 -39.9 16 22 A R E -AC 9 34A 78 -7,-2.5 -7,-1.8 -2,-0.4 2,-0.4 -0.939 12.6-166.7-126.4 144.1 -18.4 -3.6 -36.1 17 23 A L E +AC 8 33A 1 16,-2.6 16,-1.3 -2,-0.4 2,-0.2 -0.949 7.6 175.4-124.1 142.4 -15.9 -2.5 -33.5 18 24 A T E -AC 7 32A 0 -11,-1.8 -11,-1.3 -2,-0.4 2,-0.4 -0.768 5.4-173.5-151.9 100.4 -15.7 -3.8 -29.9 19 25 A I E +AC 6 31A 0 12,-0.9 11,-2.1 -13,-0.3 12,-0.9 -0.816 17.6 157.7 -98.7 133.9 -13.0 -2.7 -27.5 20 26 A A E -AC 5 29A 0 -15,-4.3 -15,-4.6 -2,-0.4 2,-0.3 -0.843 19.9-152.3-142.1 177.6 -12.7 -4.3 -24.0 21 27 A Q E -AC 4 28A 23 7,-1.2 7,-1.5 -17,-0.3 2,-0.5 -0.992 16.0-120.3-155.4 160.7 -10.2 -5.0 -21.2 22 28 A I E -AC 3 27A 28 -19,-2.5 -19,-1.1 -2,-0.3 5,-0.2 -0.914 15.5-174.4-112.3 122.1 -9.3 -7.3 -18.4 23 29 A K S S- 0 0 128 3,-1.8 -1,-0.2 -2,-0.5 -20,-0.1 0.933 74.3 -54.0 -68.2 -91.3 -9.1 -6.2 -14.8 24 30 A D S S- 0 0 152 -22,-0.1 -2,-0.0 3,-0.0 3,-0.0 0.648 125.4 -12.4-115.5 -66.2 -7.8 -9.3 -13.0 25 31 A G S S+ 0 0 56 2,-0.0 2,-0.2 -3,-0.0 -3,-0.0 0.663 116.4 86.5-112.6 -23.8 -10.3 -12.0 -14.0 26 32 A K - 0 0 102 2,-0.0 -3,-1.8 0, 0.0 2,-0.4 -0.551 53.7-159.5 -88.5 147.0 -13.1 -10.1 -15.6 27 33 A L E -C 22 0A 21 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.971 17.7-178.9-120.3 132.1 -13.5 -8.9 -19.2 28 34 A S E -C 21 0A 63 -7,-1.5 -7,-1.2 -2,-0.4 2,-0.5 -0.991 28.4-119.7-140.2 147.0 -15.9 -6.1 -20.0 29 35 A I E +C 20 0A 52 -2,-0.3 -9,-0.2 -9,-0.2 3,-0.1 -0.701 24.4 176.9 -84.5 125.2 -17.2 -4.2 -23.0 30 36 A I E + 0 0 72 -11,-2.1 2,-0.3 -2,-0.5 -10,-0.2 0.569 67.7 3.2-103.0 -12.5 -16.5 -0.5 -22.9 31 37 A L E -C 19 0A 45 -12,-0.9 -12,-0.9 2,-0.0 2,-0.4 -0.931 50.9-166.5-171.7 145.9 -17.9 0.5 -26.3 32 38 A E E +C 18 0A 101 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.895 16.1 173.9-142.4 108.5 -19.6 -1.0 -29.3 33 39 A R E +C 17 0A 94 -16,-1.3 -16,-2.6 -2,-0.4 2,-0.3 -0.816 1.5 175.4-114.3 154.9 -19.9 0.9 -32.6 34 40 A G E -C 16 0A 50 -2,-0.3 2,-0.4 -18,-0.2 -18,-0.2 -0.938 8.2-171.8-160.3 136.1 -21.2 -0.3 -36.0 35 41 A R E -C 15 0A 102 -20,-2.1 -20,-1.8 -2,-0.3 2,-0.5 -0.982 23.3-125.5-133.1 145.9 -21.9 1.1 -39.4 36 42 A I E +C 14 0A 107 -2,-0.4 -22,-0.2 -22,-0.2 -23,-0.0 -0.768 41.0 148.4 -91.6 122.2 -23.6 -0.1 -42.5 37 43 A T - 0 0 1 -24,-1.6 -23,-0.2 -2,-0.5 -1,-0.2 0.510 46.7-139.3-121.8 -22.8 -21.6 -0.1 -45.7 38 44 A S > + 0 0 35 -25,-2.1 3,-2.0 1,-0.1 -25,-0.2 0.942 30.7 174.8 57.9 50.5 -23.1 -3.1 -47.4 39 45 A L T 3 S+ 0 0 1 -28,-0.3 11,-0.3 1,-0.3 -26,-0.2 0.721 72.2 63.1 -59.3 -21.6 -19.7 -4.2 -48.6 40 46 A G T > S+ 0 0 14 -28,-3.3 3,-2.3 9,-0.1 4,-0.3 0.601 71.7 142.3 -81.7 -10.8 -21.4 -7.4 -49.9 41 47 A T T < S- 0 0 49 -3,-2.0 9,-0.5 -29,-0.4 7,-0.1 0.021 80.6 -19.8 -38.7 124.1 -23.7 -5.6 -52.4 42 48 A K T 3> S+ 0 0 110 1,-0.1 4,-2.3 7,-0.1 5,-0.4 0.597 90.7 137.6 49.5 20.9 -24.1 -7.6 -55.6 43 49 A V H <>> + 0 0 12 -3,-2.3 4,-3.3 1,-0.2 5,-0.6 0.936 67.0 51.3 -58.0 -50.4 -21.0 -9.6 -55.0 44 50 A K H 45S+ 0 0 173 -4,-0.3 -1,-0.2 1,-0.2 -3,-0.1 0.903 115.8 39.1 -54.9 -49.3 -22.6 -12.9 -56.1 45 51 A E H 45S+ 0 0 134 1,-0.2 -1,-0.2 3,-0.1 -2,-0.2 0.854 127.7 31.9 -74.0 -36.0 -23.9 -11.6 -59.5 46 52 A T H <5S- 0 0 60 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.779 91.2-136.0 -91.9 -28.6 -21.0 -9.4 -60.4 47 53 A G T <5S+ 0 0 21 -4,-3.3 41,-1.3 -5,-0.4 2,-0.3 0.873 73.1 103.2 71.8 37.0 -18.2 -11.4 -58.8 48 54 A R S - 0 0 37 -2,-0.6 4,-2.5 -9,-0.5 5,-0.2 -0.354 16.4-134.1 -59.9 132.8 -18.3 -2.3 -55.6 51 57 A E H > S+ 0 0 91 1,-0.2 4,-2.7 2,-0.2 -1,-0.1 0.866 102.9 51.6 -56.0 -44.2 -15.8 0.5 -55.4 52 58 A D H > S+ 0 0 91 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.899 111.1 48.7 -61.7 -41.4 -18.0 2.9 -53.6 53 59 A R H > S+ 0 0 45 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.946 112.2 48.0 -61.9 -49.4 -18.8 0.3 -50.9 54 60 A I H X S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.913 113.4 49.8 -56.5 -42.8 -15.1 -0.5 -50.6 55 61 A E H X S+ 0 0 75 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.940 111.8 46.1 -61.2 -50.6 -14.6 3.2 -50.3 56 62 A E H X S+ 0 0 75 -4,-3.4 4,-1.7 1,-0.2 -2,-0.2 0.915 114.0 49.4 -58.4 -46.7 -17.3 3.7 -47.7 57 63 A T H X S+ 0 0 0 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.923 107.8 53.0 -60.3 -48.5 -16.0 0.7 -45.7 58 64 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.892 106.7 53.1 -55.9 -42.5 -12.4 1.9 -45.7 59 65 A Q H X S+ 0 0 81 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.908 110.5 47.1 -60.8 -43.1 -13.3 5.3 -44.3 60 66 A V H X S+ 0 0 6 -4,-1.7 4,-3.4 2,-0.2 -2,-0.2 0.915 107.3 56.7 -64.7 -43.8 -15.2 3.6 -41.5 61 67 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.900 112.0 42.6 -54.3 -43.3 -12.2 1.3 -40.8 62 68 A K H X S+ 0 0 91 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.964 110.8 54.5 -66.7 -50.6 -10.0 4.3 -40.4 63 69 A E H X S+ 0 0 78 -4,-2.8 4,-0.6 1,-0.2 -2,-0.2 0.888 113.0 47.0 -48.4 -40.9 -12.7 6.1 -38.4 64 70 A Y H >X S+ 0 0 0 -4,-3.4 4,-1.9 1,-0.2 3,-1.8 0.948 105.0 54.0 -68.9 -52.2 -12.6 2.9 -36.2 65 71 A K H 3X S+ 0 0 54 -4,-2.8 4,-2.0 1,-0.3 5,-0.4 0.748 96.8 70.3 -56.7 -22.4 -8.8 2.6 -35.8 66 72 A K H 3X S+ 0 0 145 -4,-1.9 4,-1.2 1,-0.2 -1,-0.3 0.905 106.0 38.6 -59.2 -39.6 -8.9 6.2 -34.5 67 73 A L H <>S+ 0 0 6 -4,-1.9 5,-1.3 1,-0.2 3,-0.6 0.974 113.3 39.0 -47.8 -71.4 -8.6 1.6 -31.2 69 75 A D H ><5S+ 0 0 87 -4,-2.0 3,-1.7 1,-0.3 -1,-0.2 0.825 110.8 63.2 -46.8 -40.5 -5.3 3.5 -31.0 70 76 A E H 3<5S+ 0 0 107 -4,-1.2 -1,-0.3 -5,-0.4 -2,-0.2 0.953 108.4 38.2 -52.4 -56.6 -7.0 6.1 -28.8 71 77 A F T <<5S- 0 0 56 -4,-2.7 -1,-0.3 -3,-0.6 -2,-0.2 0.306 107.7-136.2 -79.0 12.7 -7.7 3.5 -26.1 72 78 A K T < 5 - 0 0 164 -3,-1.7 2,-0.4 -5,-0.2 -3,-0.2 0.760 28.0-169.2 34.0 41.2 -4.3 2.2 -27.0 73 79 A V < - 0 0 11 -5,-1.3 2,-0.7 1,-0.1 -1,-0.2 -0.425 15.0-147.9 -60.6 114.5 -5.7 -1.3 -26.9 74 80 A E S S+ 0 0 132 -2,-0.4 2,-0.2 -70,-0.3 -1,-0.1 -0.031 78.7 48.5 -79.1 35.3 -2.5 -3.5 -27.0 75 81 A R + 0 0 159 -2,-0.7 -69,-1.6 -71,-0.2 2,-0.4 -0.658 62.9 170.1-174.4 110.7 -4.3 -6.4 -28.9 76 82 A V E -b 6 0A 55 -71,-0.2 2,-0.4 -2,-0.2 -69,-0.2 -0.989 6.9-178.7-136.7 129.3 -6.5 -6.0 -32.0 77 83 A K E -b 7 0A 72 -71,-1.7 -69,-1.5 -2,-0.4 2,-0.4 -0.941 5.4-168.9-123.1 145.6 -7.9 -8.7 -34.3 78 84 A A E -bd 8 105A 1 26,-0.5 28,-2.7 -2,-0.4 2,-0.3 -0.996 7.0-179.3-137.1 129.9 -10.1 -8.0 -37.4 79 85 A V E -bd 9 106A 2 -71,-2.1 -69,-2.7 -2,-0.4 2,-0.3 -0.775 8.5-156.8-124.3 170.9 -12.0 -10.6 -39.4 80 86 A A E -bd 10 107A 3 26,-1.5 28,-2.3 -2,-0.3 -69,-0.2 -0.991 29.3 -95.8-146.5 151.7 -14.3 -10.6 -42.5 81 87 A T > - 0 0 32 -71,-1.8 3,-0.8 -2,-0.3 28,-0.1 -0.288 26.0-133.0 -61.1 150.9 -17.0 -12.8 -44.0 82 88 A E G > S+ 0 0 56 26,-0.4 3,-3.0 1,-0.2 4,-0.3 0.653 97.2 87.4 -81.4 -10.5 -15.9 -15.3 -46.6 83 89 A A G > S+ 0 0 24 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.858 83.0 57.1 -52.1 -35.5 -18.8 -14.0 -48.6 84 90 A I G X S+ 0 0 5 -3,-0.8 3,-1.4 1,-0.2 -1,-0.3 0.546 84.9 84.2 -74.3 -4.9 -16.4 -11.3 -49.9 85 91 A R G < S+ 0 0 135 -3,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.712 75.9 68.8 -70.3 -20.7 -14.1 -14.1 -51.1 86 92 A R G < S+ 0 0 110 -3,-1.2 2,-0.5 -4,-0.3 -1,-0.3 0.488 83.3 92.9 -76.3 -2.6 -16.1 -14.4 -54.3 87 93 A A X - 0 0 6 -3,-1.4 3,-1.7 1,-0.2 4,-0.3 -0.807 69.4-147.6 -97.8 133.1 -14.8 -11.0 -55.4 88 94 A K T > S+ 0 0 123 -41,-1.3 3,-0.8 -2,-0.5 4,-0.5 0.913 104.1 52.5 -59.6 -43.8 -11.7 -10.7 -57.5 89 95 A N T 3> S+ 0 0 9 1,-0.2 4,-3.0 -42,-0.2 -1,-0.3 0.328 80.8 101.3 -77.4 12.5 -10.8 -7.5 -55.8 90 96 A A H <> S+ 0 0 5 -3,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.920 87.1 39.3 -62.1 -45.5 -11.2 -9.2 -52.4 91 97 A E H <> S+ 0 0 123 -3,-0.8 4,-2.2 -4,-0.3 -1,-0.2 0.883 114.4 54.6 -71.2 -38.2 -7.4 -9.5 -52.0 92 98 A E H > S+ 0 0 106 -4,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.926 109.6 48.2 -59.8 -44.8 -6.9 -6.1 -53.4 93 99 A F H X S+ 0 0 4 -4,-3.0 4,-2.3 1,-0.2 5,-0.3 0.985 108.7 52.0 -57.3 -60.5 -9.3 -4.8 -50.8 94 100 A L H X S+ 0 0 22 -4,-2.4 4,-1.3 1,-0.2 11,-0.3 0.829 109.2 53.8 -44.9 -37.5 -7.5 -6.6 -48.0 95 101 A E H >X S+ 0 0 94 -4,-2.2 4,-1.5 2,-0.2 3,-0.7 0.976 106.5 48.8 -62.9 -57.5 -4.3 -5.0 -49.3 96 102 A R H 3X>S+ 0 0 65 -4,-2.3 4,-3.1 1,-0.3 5,-0.7 0.874 108.0 54.6 -50.0 -45.7 -5.6 -1.4 -49.1 97 103 A V H 3X5S+ 0 0 0 -4,-2.3 6,-1.3 1,-0.2 4,-1.1 0.873 104.4 58.4 -58.3 -36.1 -6.9 -1.9 -45.6 98 104 A K H <<5S+ 0 0 94 -4,-1.3 -2,-0.2 -3,-0.7 -1,-0.2 0.952 121.4 19.6 -60.4 -54.3 -3.4 -3.0 -44.7 99 105 A R H <5S+ 0 0 178 -4,-1.5 -2,-0.2 3,-0.2 -3,-0.1 0.863 126.2 48.8 -87.5 -38.9 -1.6 0.2 -45.7 100 106 A E H <5S+ 0 0 87 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.1 0.898 134.9 14.9 -68.5 -39.2 -4.3 2.8 -45.8 101 107 A V S < - 0 0 52 -2,-0.3 4,-2.2 -28,-0.1 5,-0.2 -0.208 32.5-107.1 -78.3 169.2 -15.1 -19.5 -42.6 110 116 A P H > S+ 0 0 25 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.761 124.2 52.5 -68.3 -22.9 -18.7 -20.0 -41.2 111 117 A E H > S+ 0 0 59 2,-0.2 4,-2.4 1,-0.1 5,-0.1 0.898 106.1 52.2 -77.5 -41.6 -17.2 -22.7 -39.1 112 118 A Q H > S+ 0 0 41 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.928 107.5 51.6 -59.1 -47.6 -14.5 -20.4 -37.7 113 119 A E H X S+ 0 0 48 -4,-2.2 4,-3.2 1,-0.2 -1,-0.2 0.887 107.8 53.8 -57.0 -38.8 -17.1 -17.9 -36.7 114 120 A G H X S+ 0 0 2 -4,-1.1 4,-2.9 1,-0.2 -1,-0.2 0.939 107.4 50.5 -59.8 -46.3 -18.9 -20.7 -35.0 115 121 A R H X S+ 0 0 98 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.930 112.4 46.4 -58.3 -45.9 -15.7 -21.5 -33.1 116 122 A Y H X S+ 0 0 30 -4,-2.7 4,-1.7 2,-0.2 3,-0.3 0.952 112.4 49.3 -60.6 -51.3 -15.4 -17.8 -32.0 117 123 A A H X S+ 0 0 2 -4,-3.2 4,-1.5 1,-0.2 3,-0.4 0.925 108.6 54.6 -52.0 -49.0 -19.1 -17.5 -31.0 118 124 A Y H X S+ 0 0 4 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.861 105.2 53.3 -52.4 -42.3 -18.7 -20.7 -29.0 119 125 A L H X S+ 0 0 36 -4,-1.7 4,-1.1 -3,-0.3 -1,-0.2 0.856 104.1 54.8 -64.5 -37.0 -15.7 -19.2 -27.1 120 126 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 -3,-0.4 -1,-0.2 0.844 109.7 48.8 -64.4 -33.2 -17.8 -16.2 -26.1 121 127 A V H X>S+ 0 0 1 -4,-1.5 4,-1.7 2,-0.2 5,-0.6 0.793 105.1 56.7 -76.4 -32.5 -20.3 -18.6 -24.7 122 128 A A H <5S+ 0 0 5 -4,-1.6 -1,-0.2 3,-0.2 -2,-0.2 0.757 116.5 37.0 -71.4 -23.4 -17.7 -20.5 -22.7 123 129 A Y H <5S+ 0 0 33 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.786 121.4 41.0 -97.2 -34.4 -16.7 -17.3 -21.0 124 130 A S H <5S+ 0 0 31 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.704 133.7 19.5 -89.0 -22.4 -20.0 -15.5 -20.6 125 131 A L T <5S- 0 0 41 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.1 0.497 82.4-149.4-123.7 -12.7 -22.1 -18.5 -19.5 126 132 A K < - 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O 0 583C 17 -2,-0.3 4,-2.4 52,-0.2 52,-0.2 -0.334 30.9-110.0 -87.2 165.4 -26.6 -25.1 -10.8 532 238 B Y H > S+ 0 0 76 50,-2.1 4,-3.6 1,-0.2 5,-0.2 0.949 120.0 50.1 -56.2 -49.6 -25.5 -27.3 -8.0 533 239 B G H > S+ 0 0 35 49,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.902 109.2 50.1 -56.8 -46.6 -21.9 -26.0 -8.3 534 240 B Q H > S+ 0 0 41 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.919 116.4 42.3 -59.7 -44.4 -23.0 -22.4 -8.3 535 241 B I H X S+ 0 0 1 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.911 112.7 51.7 -70.5 -42.4 -25.0 -22.9 -5.2 536 242 B K H X S+ 0 0 92 -4,-3.6 4,-2.9 -5,-0.2 5,-0.3 0.936 107.1 57.6 -58.0 -44.8 -22.5 -25.1 -3.5 537 243 B K H X S+ 0 0 94 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.937 108.6 41.6 -48.3 -62.4 -19.9 -22.3 -4.2 538 244 B W H X S+ 0 0 19 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.778 112.7 57.4 -62.1 -25.9 -21.8 -19.6 -2.4 539 245 B F H X S+ 0 0 5 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.972 108.6 43.5 -67.9 -52.5 -22.6 -22.0 0.4 540 246 B D H X S+ 0 0 43 -4,-2.9 4,-1.0 2,-0.2 -2,-0.2 0.913 115.4 51.8 -56.9 -43.3 -18.9 -22.8 1.1 541 247 B T H >X S+ 0 0 44 -4,-2.6 3,-0.9 -5,-0.3 4,-0.9 0.971 113.7 40.7 -56.7 -58.9 -18.2 -19.1 0.8 542 248 B F H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.699 109.5 58.8 -67.2 -21.6 -20.9 -18.0 3.3 543 249 B K H 3< S+ 0 0 75 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.715 101.1 57.8 -80.4 -19.5 -20.2 -20.9 5.7 544 250 B E H << S+ 0 0 142 -4,-1.0 -2,-0.2 -3,-0.9 -1,-0.2 0.838 106.6 49.7 -77.1 -35.4 -16.6 -19.7 6.1 545 251 B I S < S- 0 0 31 -4,-0.9 2,-0.0 1,-0.1 0, 0.0 -0.660 86.8-104.2-107.7 162.5 -17.4 -16.2 7.3 546 252 B P > - 0 0 35 0, 0.0 4,-1.9 0, 0.0 3,-0.3 -0.237 37.2-105.8 -73.8 168.2 -19.7 -14.7 10.0 547 253 B S H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 5,-0.5 0.913 120.0 65.1 -59.9 -41.4 -23.0 -12.9 9.2 548 254 B E H > S+ 0 0 119 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.868 106.4 39.4 -46.7 -50.0 -21.2 -9.7 9.9 549 255 B E H > S+ 0 0 96 -3,-0.3 4,-4.2 3,-0.2 5,-0.4 0.869 111.1 61.6 -71.9 -36.5 -18.8 -10.2 7.0 550 256 B R H X S+ 0 0 3 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.957 112.6 32.3 -53.9 -61.5 -21.6 -11.5 4.8 551 257 B S H < S+ 0 0 15 -4,-2.3 6,-0.3 2,-0.2 -1,-0.2 0.887 123.6 51.5 -64.9 -37.2 -23.8 -8.5 4.8 552 258 B K H < S+ 0 0 164 -4,-1.5 -2,-0.2 -5,-0.5 -3,-0.2 0.974 112.7 41.0 -62.8 -60.0 -20.7 -6.3 5.0 553 259 B R H < S+ 0 0 177 -4,-4.2 2,-0.5 -5,-0.1 -1,-0.2 0.775 115.6 57.8 -62.0 -30.1 -18.8 -7.8 2.1 554 260 B F >< - 0 0 22 -4,-1.9 3,-0.7 -5,-0.4 -1,-0.1 -0.912 60.9-160.0-115.2 133.8 -21.9 -8.1 -0.1 555 261 B R T 3 S+ 0 0 162 -2,-0.5 -1,-0.1 1,-0.2 -42,-0.0 0.912 94.1 53.7 -68.6 -47.5 -24.2 -5.3 -1.2 556 262 B Q T 3 S+ 0 0 29 1,-0.1 2,-0.8 -47,-0.1 -1,-0.2 0.442 89.8 90.4 -72.5 2.2 -27.1 -7.5 -2.1 557 263 B V < - 0 0 6 -3,-0.7 -3,-0.1 -6,-0.3 -1,-0.1 -0.839 65.7-160.2-103.9 101.2 -27.0 -9.2 1.4 558 264 B E - 0 0 120 -2,-0.8 -4,-0.1 1,-0.1 -1,-0.0 0.308 26.6-112.2 -55.3-162.5 -29.3 -7.2 3.7 559 265 B D S S+ 0 0 108 2,-0.1 4,-0.4 3,-0.1 -1,-0.1 0.586 108.3 55.9-115.6 -16.0 -28.7 -7.7 7.5 560 266 B R S >> S+ 0 0 151 2,-0.2 4,-0.7 1,-0.1 3,-0.6 0.915 116.6 36.8 -80.2 -45.2 -31.9 -9.5 8.5 561 267 B R H 3> S+ 0 0 84 1,-0.2 4,-2.7 2,-0.1 5,-0.2 0.702 95.5 96.3 -76.6 -18.1 -31.3 -12.3 6.0 562 268 B A H 34 S+ 0 0 4 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.801 93.5 28.8 -38.8 -47.8 -27.6 -12.0 6.7 563 269 B K H X4 S+ 0 0 96 -3,-0.6 3,-1.1 -4,-0.4 4,-0.3 0.939 125.0 43.6 -84.4 -51.2 -27.5 -14.8 9.3 564 270 B V H 3X S+ 0 0 24 -4,-0.7 4,-1.5 1,-0.2 3,-0.3 0.568 88.4 93.0 -71.9 -8.3 -30.4 -17.0 8.1 565 271 B I H 3X S+ 0 0 4 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.820 81.1 57.6 -55.1 -31.3 -29.2 -16.7 4.5 566 272 B L H <> S+ 0 0 1 -3,-1.1 4,-2.9 -4,-0.2 -1,-0.2 0.912 101.2 51.3 -67.8 -46.7 -27.2 -19.9 4.9 567 273 B A H > S+ 0 0 0 -3,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.939 110.0 50.5 -57.5 -48.3 -30.0 -22.3 5.9 568 274 B G H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.895 111.8 47.4 -57.2 -43.4 -32.1 -21.2 2.9 569 275 B I H X S+ 0 0 0 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.915 109.8 53.9 -64.2 -42.8 -29.2 -21.8 0.6 570 276 B G H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 3,-0.3 0.897 103.9 57.3 -57.9 -40.8 -28.5 -25.2 2.3 571 277 B I H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.973 105.1 48.3 -55.0 -56.6 -32.1 -26.1 1.6 572 278 B F H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.788 109.7 55.4 -57.8 -24.4 -31.8 -25.6 -2.2 573 279 B L H X S+ 0 0 7 -4,-1.4 4,-2.2 -3,-0.3 -1,-0.2 0.945 110.3 42.9 -73.5 -49.0 -28.6 -27.7 -2.1 574 280 B K H X S+ 0 0 14 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.942 110.6 57.2 -62.4 -46.3 -30.3 -30.7 -0.5 575 281 B T H X S+ 0 0 1 -4,-2.8 4,-1.3 -5,-0.2 -1,-0.2 0.927 109.6 43.9 -49.8 -51.2 -33.3 -30.3 -2.7 576 282 B L H <>S+ 0 0 0 -4,-1.7 5,-2.5 -5,-0.2 4,-0.5 0.927 113.9 52.2 -60.1 -46.8 -31.2 -30.6 -5.9 577 283 B E H <5S+ 0 0 83 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.933 116.4 35.3 -56.6 -53.9 -29.2 -33.5 -4.4 578 284 B I H <5S+ 0 0 16 -4,-2.8 -1,-0.2 1,-0.2 -83,-0.2 0.568 116.4 53.2 -84.0 -7.2 -32.1 -35.8 -3.4 579 285 B F T <5S- 0 0 9 -4,-1.3 -82,-0.3 -5,-0.3 -1,-0.2 0.439 109.1-131.1 -97.5 -4.2 -34.3 -34.8 -6.3 580 286 B E T 5 + 0 0 163 -4,-0.5 2,-0.4 -3,-0.5 -3,-0.2 0.962 58.2 138.0 53.4 58.3 -31.3 -35.8 -8.4 581 287 B K < - 0 0 63 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.2 -0.991 50.3-147.9-133.7 140.7 -31.3 -32.6 -10.5 582 288 B D S S- 0 0 124 -2,-0.4 -50,-2.1 1,-0.1 2,-0.3 0.625 75.7 -0.6 -84.5 -14.3 -28.3 -30.5 -11.6 583 289 B C E - O 0 531C 53 -52,-0.2 -83,-0.4 -51,-0.1 2,-0.3 -0.990 54.8-149.6-165.2 169.4 -30.1 -27.1 -11.6 584 290 B L E - O 0 530C 2 -54,-1.7 -54,-1.7 -2,-0.3 2,-0.4 -0.843 24.4-111.8-138.6 173.2 -33.2 -25.1 -11.1 585 291 B I E -nO 501 529C 12 -85,-1.4 -83,-2.8 -2,-0.3 2,-0.5 -0.886 24.9-130.4-112.0 143.2 -34.8 -22.0 -12.5 586 292 B V E -nO 502 528C 0 -58,-2.6 -59,-2.6 -2,-0.4 -58,-0.5 -0.805 20.2-165.8 -95.5 129.4 -35.3 -18.8 -10.5 587 293 B S E -n 503 0C 1 -85,-1.9 -83,-0.5 -2,-0.5 -61,-0.1 -0.900 18.0-168.9-112.2 141.3 -38.7 -17.2 -10.6 588 294 B D S S+ 0 0 44 -2,-0.4 2,-0.1 -85,-0.1 -1,-0.1 0.625 70.7 89.7 -98.0 -20.2 -39.3 -13.6 -9.3 589 295 B W + 0 0 43 -169,-0.1 2,-0.2 1,-0.1 -2,-0.1 -0.445 51.3 137.9 -76.2 146.8 -43.0 -14.3 -9.5 590 296 B G > - 0 0 12 -2,-0.1 4,-2.7 -170,-0.1 3,-0.4 -0.526 64.1 -21.2-153.2-138.4 -44.8 -15.8 -6.6 591 297 B L H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.929 124.4 59.8 -51.6 -53.0 -48.0 -15.5 -4.6 592 298 B R H > S+ 0 0 43 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.823 115.5 31.3 -46.3 -46.7 -48.8 -12.0 -5.8 593 299 B E H > S+ 0 0 6 -3,-0.4 4,-3.9 2,-0.2 3,-0.4 0.863 111.5 63.5 -83.5 -39.8 -48.9 -12.9 -9.5 594 300 B G H X S+ 0 0 0 -4,-2.7 4,-3.9 1,-0.3 -2,-0.2 0.870 102.5 53.6 -51.2 -37.0 -50.2 -16.4 -9.0 595 301 B V H < S+ 0 0 11 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.885 109.8 44.9 -65.4 -41.1 -53.3 -14.7 -7.5 596 302 B L H < S+ 0 0 14 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.911 115.4 49.9 -67.3 -42.1 -53.7 -12.5 -10.6 597 303 B V H < S+ 0 0 19 -4,-3.9 2,-0.8 1,-0.1 -2,-0.2 0.967 81.8 105.0 -57.2 -52.6 -53.1 -15.7 -12.5 598 304 B S < 0 0 51 -4,-3.9 -1,-0.1 -5,-0.2 -3,-0.1 0.014 360.0 360.0 -35.1 75.4 -55.7 -17.5 -10.5 599 305 B E 0 0 178 -2,-0.8 -1,-0.2 0, 0.0 -2,-0.1 -0.771 360.0 360.0 154.0 360.0 -58.4 -17.6 -13.2