==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-SEP-04 1XJJ . COMPND 2 MOLECULE: RIBONUCLEOTIDE REDUCTASE, B12-DEPENDENT; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR K.-M.LARSSON,A.JORDAN,R.ELIASSON,P.REICHARD,D.T.LOGAN, . 1234 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47493.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 835 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 1 0.1 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 . 51 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 143 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 447 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.2 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 6 2 8 2 2 2 9 0 2 3 2 4 1 3 0 0 0 2 0 0 0 0 0 0 0 2 0 RESIDUES PER ALPHA HELIX . 4 0 7 1 0 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 PARALLEL BRIDGES PER LADDER . 4 7 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 9 0 2 0 0 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 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 1 A M 0 0 67 0, 0.0 2,-0.2 0, 0.0 344,-0.0 0.000 360.0 360.0 360.0 146.3 -84.3 -66.7 34.4 2 2 A K > - 0 0 123 1,-0.1 4,-1.9 343,-0.1 3,-0.4 -0.604 360.0-117.8 -80.5 151.3 -80.8 -66.5 32.9 3 3 A L H > S+ 0 0 2 341,-0.2 4,-3.1 1,-0.2 5,-0.2 0.872 114.2 60.7 -59.1 -38.6 -80.7 -66.7 29.1 4 4 A S H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.926 104.6 48.7 -53.2 -44.7 -78.6 -69.9 29.3 5 5 A D H > S+ 0 0 78 -3,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.921 112.5 48.2 -65.8 -39.1 -81.5 -71.6 31.2 6 6 A L H X S+ 0 0 1 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.912 108.7 53.8 -64.7 -41.5 -84.0 -70.4 28.6 7 7 A I H >X S+ 0 0 5 -4,-3.1 4,-2.9 1,-0.2 3,-1.8 0.936 104.5 55.2 -56.9 -47.9 -81.7 -71.6 25.7 8 8 A S H 3< S+ 0 0 75 -4,-2.3 4,-0.5 1,-0.3 -1,-0.2 0.837 103.2 56.3 -61.6 -29.8 -81.5 -75.1 27.3 9 9 A R H 3< S+ 0 0 113 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.690 121.8 26.6 -69.8 -17.2 -85.3 -75.3 27.3 10 10 A W H X< S+ 0 0 55 -3,-1.8 3,-2.1 -4,-0.6 -2,-0.2 0.683 95.2 86.6-118.8 -22.9 -85.5 -74.6 23.5 11 11 A I T 3< S+ 0 0 29 -4,-2.9 -3,-0.1 1,-0.3 -2,-0.1 0.774 96.6 42.0 -59.5 -28.8 -82.2 -75.9 22.0 12 12 A D T 3 S+ 0 0 129 -4,-0.5 2,-0.8 2,-0.1 -1,-0.3 0.323 86.3 103.9-103.4 7.1 -83.4 -79.5 21.5 13 13 A V < - 0 0 65 -3,-2.1 3,-0.1 70,-0.0 -4,-0.0 -0.814 65.1-148.8 -88.0 111.4 -86.9 -78.6 20.2 14 14 A E - 0 0 115 -2,-0.8 3,-0.1 1,-0.1 -2,-0.1 -0.413 25.8 -89.6 -79.9 155.2 -86.8 -79.2 16.5 15 15 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 475,-0.1 -0.279 50.2 -95.5 -55.5 150.6 -88.9 -77.2 14.0 16 16 A S > - 0 0 40 473,-0.2 4,-2.1 1,-0.1 3,-0.2 -0.173 37.9-103.6 -56.1 159.7 -92.3 -78.5 13.1 17 17 A K H > S+ 0 0 163 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.834 124.8 60.0 -56.3 -29.4 -92.7 -80.5 10.0 18 18 A N H > S+ 0 0 42 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.950 105.5 45.0 -64.8 -48.7 -94.1 -77.4 8.5 19 19 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 3,-0.2 0.909 108.4 58.0 -56.5 -45.5 -91.0 -75.4 9.1 20 20 A Q H X S+ 0 0 67 -4,-2.1 4,-3.0 1,-0.3 5,-0.2 0.824 102.1 53.6 -64.2 -34.5 -88.8 -78.1 7.8 21 21 A I H X S+ 0 0 83 -4,-1.6 4,-2.7 -3,-0.2 -1,-0.3 0.924 109.8 48.7 -61.6 -46.2 -90.5 -78.1 4.4 22 22 A I H X>S+ 0 0 21 -4,-1.4 4,-2.3 -3,-0.2 5,-0.6 0.914 113.3 48.1 -58.6 -46.5 -89.8 -74.3 4.2 23 23 A L H X>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 4,-1.9 0.959 114.6 42.8 -61.9 -53.8 -86.2 -74.9 5.2 24 24 A R H <5S+ 0 0 96 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.907 113.4 57.6 -57.3 -37.7 -85.6 -77.8 2.7 25 25 A D H <5S- 0 0 109 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.904 135.0 -16.1 -64.0 -47.6 -87.5 -75.7 0.2 26 26 A R H <5S+ 0 0 94 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.589 125.7 56.5-138.9 -11.1 -85.3 -72.6 0.2 27 27 A Y T < - 0 0 33 4,-2.7 3,-2.3 -2,-0.3 4,-0.1 -0.405 44.8 -85.5 -92.5 173.8 -73.9 -77.7 -4.1 32 32 A L T 3 S+ 0 0 130 1,-0.3 -1,-0.1 2,-0.1 770,-0.0 0.718 130.1 55.3 -51.0 -26.2 -73.4 -77.0 -7.8 33 33 A D T 3 S- 0 0 125 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.689 120.6-105.4 -80.1 -24.1 -75.0 -80.4 -8.5 34 34 A G S < S+ 0 0 42 -3,-2.3 2,-0.2 1,-0.4 -2,-0.1 0.453 74.4 142.4 104.5 6.0 -78.3 -79.7 -6.5 35 35 A N - 0 0 97 -4,-0.1 -4,-2.7 1,-0.1 2,-0.4 -0.572 57.0-106.5 -79.1 145.6 -77.2 -81.9 -3.6 36 36 A Y B +A 30 0A 93 -6,-0.2 -6,-0.3 -2,-0.2 3,-0.1 -0.594 30.6 179.7 -75.9 122.7 -78.0 -80.8 -0.0 37 37 A L S S+ 0 0 48 -8,-3.4 2,-0.3 -2,-0.4 -7,-0.2 0.516 79.2 38.0 -93.5 -9.2 -75.1 -79.5 2.0 38 38 A E + 0 0 1 -9,-1.0 -1,-0.2 1,-0.1 3,-0.1 -0.983 53.9 167.5-139.9 140.4 -77.5 -78.9 5.0 39 39 A T + 0 0 71 -2,-0.3 2,-0.3 1,-0.2 -15,-0.1 0.422 64.8 47.6-134.8 -3.9 -80.3 -81.1 6.1 40 40 A K S >> S- 0 0 102 1,-0.1 3,-1.5 -17,-0.1 4,-1.1 -0.966 81.4-115.7-138.6 149.6 -81.3 -79.8 9.6 41 41 A W H 3> S+ 0 0 12 -2,-0.3 4,-2.5 1,-0.3 3,-0.4 0.850 114.7 66.9 -50.0 -38.2 -81.9 -76.3 11.0 42 42 A E H 3> S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.826 96.5 54.3 -53.4 -37.5 -78.8 -76.9 13.2 43 43 A D H <> S+ 0 0 43 -3,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.879 108.7 47.8 -65.2 -43.7 -76.7 -76.8 10.0 44 44 A V H X S+ 0 0 0 -4,-1.1 4,-2.4 -3,-0.4 5,-0.2 0.916 111.1 50.7 -63.9 -44.5 -78.0 -73.4 9.1 45 45 A A H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.854 110.0 50.5 -63.6 -37.2 -77.5 -72.1 12.6 46 46 A R H X S+ 0 0 38 -4,-2.1 4,-2.8 -5,-0.2 5,-0.2 0.975 112.3 46.5 -59.9 -54.3 -73.8 -73.4 12.5 47 47 A R H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.922 117.8 41.7 -53.5 -49.6 -73.1 -71.7 9.2 48 48 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.915 114.5 49.1 -70.8 -45.7 -74.6 -68.4 10.1 49 49 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.930 113.9 48.3 -55.8 -50.0 -73.2 -68.2 13.7 50 50 A R H X S+ 0 0 0 -4,-2.8 4,-1.4 -5,-0.2 -2,-0.2 0.921 113.5 46.0 -55.8 -50.0 -69.7 -69.0 12.3 51 51 A V H X S+ 0 0 0 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.872 115.9 43.7 -66.4 -37.5 -69.9 -66.4 9.5 52 52 A V H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.871 109.2 56.8 -82.9 -31.1 -71.3 -63.6 11.6 53 53 A A H >< S+ 0 0 0 -4,-2.4 3,-2.3 -5,-0.3 4,-0.2 0.836 92.0 73.7 -63.4 -29.3 -68.8 -64.4 14.5 54 54 A T H >< S+ 0 0 0 -4,-1.4 3,-2.4 1,-0.3 4,-0.2 0.832 78.8 75.2 -51.6 -35.8 -65.9 -63.9 11.9 55 55 A A G X< S+ 0 0 0 -3,-0.8 3,-1.4 -4,-0.5 -1,-0.3 0.680 77.3 75.4 -50.9 -21.7 -66.6 -60.2 12.1 56 56 A E G X S+ 0 0 0 -3,-2.3 3,-2.1 1,-0.2 -1,-0.3 0.707 74.2 80.1 -69.3 -19.2 -64.9 -60.2 15.5 57 57 A L G < S+ 0 0 19 -3,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.768 94.3 50.0 -45.0 -27.7 -61.5 -60.5 13.6 58 58 A L G < S+ 0 0 72 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.374 77.5 121.5-102.4 1.1 -61.9 -56.8 13.2 59 59 A N X - 0 0 1 -3,-2.1 3,-1.6 1,-0.1 371,-0.1 -0.593 50.9-155.9 -73.7 113.4 -62.6 -55.9 16.8 60 60 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 370,-0.1 0.326 86.9 65.5 -72.5 9.0 -59.9 -53.3 17.8 61 61 A S T 3 S+ 0 0 63 2,-0.1 2,-0.5 0, 0.0 369,-0.1 0.408 81.6 86.7-112.2 -5.0 -60.4 -54.3 21.5 62 62 A Y S < S- 0 0 24 -3,-1.6 2,-0.2 -6,-0.2 0, 0.0 -0.875 72.3-141.1 -96.7 126.7 -59.1 -57.8 21.2 63 63 A K >> - 0 0 158 -2,-0.5 3,-1.8 1,-0.1 4,-1.4 -0.584 33.7-103.2 -79.8 153.0 -55.4 -58.3 21.5 64 64 A K T 34 S+ 0 0 180 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.785 122.4 52.2 -52.7 -37.9 -54.1 -61.0 19.1 65 65 A N T 34 S+ 0 0 136 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.720 111.4 50.3 -70.9 -19.9 -53.7 -63.7 21.8 66 66 A E T X> S+ 0 0 62 -3,-1.8 4,-2.1 1,-0.1 3,-0.7 0.826 90.5 82.6 -78.2 -39.1 -57.4 -63.0 22.8 67 67 A K H 3X S+ 0 0 42 -4,-1.4 4,-2.4 1,-0.3 5,-0.2 0.753 86.4 46.7 -49.4 -50.0 -59.0 -63.2 19.3 68 68 A L H 3> S+ 0 0 44 -4,-0.5 4,-2.1 1,-0.2 -1,-0.3 0.900 114.9 47.0 -66.7 -37.9 -59.5 -66.9 18.6 69 69 A D H <> S+ 0 0 94 -3,-0.7 4,-1.4 -4,-0.3 -1,-0.2 0.944 113.4 49.3 -64.5 -47.3 -61.0 -67.6 22.1 70 70 A R H X S+ 0 0 59 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.870 110.5 49.5 -60.6 -41.7 -63.3 -64.6 21.8 71 71 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.925 109.7 50.5 -65.3 -46.5 -64.5 -65.5 18.3 72 72 A K H X S+ 0 0 52 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.790 109.1 54.0 -61.3 -28.0 -65.3 -69.1 19.3 73 73 A E H X S+ 0 0 101 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.938 111.5 43.5 -73.6 -47.3 -67.3 -67.7 22.3 74 74 A W H X S+ 0 0 52 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.907 112.1 53.0 -62.7 -44.4 -69.4 -65.5 20.0 75 75 A E H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.932 109.9 50.1 -55.7 -43.3 -69.9 -68.2 17.5 76 76 A D H X S+ 0 0 61 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.917 113.2 43.4 -64.7 -44.0 -71.2 -70.5 20.3 77 77 A I H X S+ 0 0 22 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.956 114.7 50.1 -67.1 -47.7 -73.7 -68.0 21.7 78 78 A F H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 5,-0.2 0.910 110.9 50.4 -50.6 -47.6 -74.9 -67.0 18.2 79 79 A F H X S+ 0 0 16 -4,-2.7 4,-3.4 -5,-0.3 5,-0.3 0.921 109.2 51.2 -60.0 -43.3 -75.3 -70.7 17.4 80 80 A R H X S+ 0 0 68 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.928 111.0 44.8 -65.4 -45.8 -77.3 -71.4 20.6 81 81 A V H <>S+ 0 0 1 -4,-2.3 5,-2.3 2,-0.2 6,-1.3 0.848 118.0 46.0 -68.9 -35.5 -79.9 -68.6 20.1 82 82 A L H <5S+ 0 0 1 -4,-2.0 3,-0.5 -5,-0.3 -2,-0.2 0.928 114.6 45.8 -65.4 -50.6 -80.3 -69.5 16.4 83 83 A K H <5S+ 0 0 41 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.2 0.936 114.6 48.1 -60.1 -44.5 -80.6 -73.2 17.1 84 84 A A T <5S- 0 0 0 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.675 108.6-132.6 -67.2 -17.4 -83.0 -72.5 19.9 85 85 A R T 5 + 0 0 4 -3,-0.5 -3,-0.2 -4,-0.4 3,-0.1 0.807 68.7 128.4 64.8 35.1 -84.9 -70.1 17.5 86 86 A L S > - 0 0 12 237,-3.7 3,-1.9 1,-0.1 4,-1.0 -0.118 54.0-101.7 -53.2 150.0 -83.7 -61.7 8.0 91 91 A S H 3> S+ 0 0 21 1,-0.3 4,-3.2 2,-0.2 3,-0.4 0.804 117.2 63.4 -47.8 -45.6 -83.9 -64.4 5.3 92 92 A P H 3> S+ 0 0 9 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.844 100.7 53.6 -58.2 -24.2 -81.0 -63.0 3.2 93 93 A T H <> S+ 0 0 0 -3,-1.9 4,-1.3 38,-0.4 -2,-0.2 0.875 114.4 43.2 -69.0 -36.5 -78.6 -63.7 6.2 94 94 A L H < S+ 0 0 1 -4,-1.0 -1,-0.2 -3,-0.4 -3,-0.1 0.847 117.4 44.4 -81.0 -36.9 -79.8 -67.3 6.2 95 95 A F H < S+ 0 0 46 -4,-3.2 -2,-0.2 1,-0.1 -1,-0.2 0.913 126.7 25.7 -63.7 -46.1 -79.8 -67.7 2.4 96 96 A N H >< S+ 0 0 6 -4,-2.1 3,-1.9 -5,-0.3 -2,-0.2 0.440 79.2 121.8-110.4 -8.4 -76.4 -66.2 1.7 97 97 A A T 3< S+ 0 0 0 -4,-1.3 -49,-0.1 1,-0.3 33,-0.1 -0.439 86.8 15.1 -63.2 135.7 -74.1 -66.4 4.8 98 98 A G T > S+ 0 0 1 1,-0.3 3,-1.9 -50,-0.1 2,-0.3 0.396 81.6 152.5 81.8 0.3 -71.0 -68.3 3.8 99 99 A L T < S+ 0 0 22 -3,-1.9 27,-2.4 1,-0.2 -1,-0.3 -0.493 71.9 24.7 -63.4 126.5 -71.4 -68.1 -0.0 100 100 A G T 3 S+ 0 0 38 1,-0.4 -1,-0.2 -2,-0.3 2,-0.2 0.048 98.1 116.4 107.9 -19.7 -67.9 -68.2 -1.5 101 101 A V S < S- 0 0 6 -3,-1.9 -1,-0.4 1,-0.1 2,-0.2 -0.554 78.1 -96.7 -88.1 143.1 -66.4 -70.1 1.5 102 102 A K >> - 0 0 125 -2,-0.2 3,-3.0 1,-0.1 4,-0.8 -0.378 29.6-129.3 -57.3 125.2 -65.0 -73.6 1.2 103 103 A H H 3> S+ 0 0 95 1,-0.3 4,-0.7 2,-0.2 3,-0.3 0.765 105.7 66.7 -52.8 -24.9 -67.6 -76.1 2.3 104 104 A D H 34 S+ 0 0 115 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.569 103.0 46.3 -75.5 -4.4 -65.1 -77.7 4.6 105 105 A L H <4 S+ 0 0 3 -3,-3.0 -1,-0.2 2,-0.1 -2,-0.2 0.675 98.6 66.5-101.6 -25.2 -65.0 -74.5 6.8 106 106 A L H < S+ 0 0 0 -4,-0.8 -56,-0.2 -3,-0.3 -2,-0.1 0.764 114.6 19.5 -76.1 -27.0 -68.8 -73.7 7.2 107 107 A W S < S+ 0 0 55 -4,-0.7 -1,-0.2 2,-0.1 3,-0.1 0.331 86.5 127.7-124.4 4.3 -69.9 -76.7 9.3 108 108 A K S S- 0 0 46 1,-0.1 4,-0.1 -5,-0.1 5,-0.1 -0.322 74.2 -83.1 -72.2 150.3 -66.8 -78.2 10.9 109 109 A P > - 0 0 64 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.260 37.5-129.1 -49.7 134.6 -66.7 -78.8 14.7 110 110 A I G > S+ 0 0 40 1,-0.3 3,-1.4 2,-0.2 -2,-0.1 0.697 104.0 67.2 -58.9 -26.8 -65.8 -75.5 16.3 111 111 A D G 3 S+ 0 0 123 1,-0.3 -1,-0.3 -39,-0.0 -3,-0.0 0.254 99.0 52.6 -85.4 9.8 -63.0 -77.2 18.3 112 112 A Q G < S+ 0 0 111 -3,-1.5 2,-0.3 -4,-0.1 -1,-0.3 0.279 86.3 113.2-113.8 1.5 -61.1 -77.8 15.1 113 113 A M < - 0 0 3 -3,-1.4 2,-0.3 -4,-0.1 -41,-0.1 -0.602 46.8-168.8 -82.0 131.7 -61.4 -74.1 14.1 114 114 A T > - 0 0 65 -2,-0.3 4,-1.6 1,-0.1 3,-0.2 -0.733 37.5-107.3-110.4 164.0 -58.2 -72.1 14.0 115 115 A L H > S+ 0 0 55 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.840 123.3 53.6 -55.6 -35.2 -57.6 -68.3 13.6 116 116 A E H > S+ 0 0 146 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.869 102.6 57.2 -71.0 -37.6 -56.5 -68.9 10.1 117 117 A D H > S+ 0 0 25 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.887 109.6 45.3 -51.0 -47.5 -59.7 -70.8 9.4 118 118 A Y H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.868 111.3 53.2 -66.6 -39.6 -61.7 -67.7 10.5 119 119 A E H X S+ 0 0 78 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.903 107.0 51.5 -64.9 -37.5 -59.4 -65.4 8.4 120 120 A E H X S+ 0 0 55 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.899 107.4 52.9 -65.2 -43.4 -60.1 -67.6 5.3 121 121 A I H X S+ 0 0 0 -4,-1.7 4,-0.6 2,-0.2 3,-0.3 0.941 109.8 49.5 -52.1 -49.7 -63.9 -67.3 5.8 122 122 A Y H >< S+ 0 0 75 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.935 113.9 45.1 -58.9 -45.5 -63.5 -63.5 6.0 123 123 A R H 3< S+ 0 0 177 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.780 111.6 50.4 -67.6 -29.0 -61.4 -63.4 2.8 124 124 A S H 3< + 0 0 31 -4,-1.7 2,-0.2 -3,-0.3 -1,-0.2 0.349 68.1 125.0-104.3 5.3 -63.5 -65.7 0.7 125 125 A R << - 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0 0 41 8,-1.5 2,-0.2 -2,-0.5 6,-0.1 -0.885 23.1-130.5 -94.2 116.7 -98.4 -82.4 3.3 509 517 A T - 0 0 115 -2,-0.6 2,-0.3 4,-0.1 7,-0.2 -0.488 30.9-171.7 -67.6 130.8 -97.3 -83.7 -0.1 510 518 A K - 0 0 89 -2,-0.2 3,-0.3 5,-0.2 4,-0.1 -0.847 33.3-127.4-126.3 158.7 -96.6 -87.4 -0.2 511 519 A E S S+ 0 0 184 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.938 103.7 29.5 -69.4 -47.2 -95.2 -90.0 -2.6 512 520 A D S S+ 0 0 117 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 -0.848 126.6 11.7-123.0 93.8 -98.1 -92.4 -2.4 513 521 A G S S- 0 0 70 -2,-0.5 2,-0.2 -3,-0.3 -2,-0.1 -0.165 86.2-144.9-174.9 -87.0 -101.5 -90.8 -1.7 514 522 A T + 0 0 54 -6,-0.1 2,-0.1 -4,-0.1 -2,-0.1 -0.161 44.5 35.1 -78.0 -92.0 -101.3 -87.9 -2.0 515 523 A K - 0 0 97 -2,-0.2 -5,-0.2 -5,-0.1 -8,-0.1 -0.450 58.2-144.4-104.9 -54.7 -102.4 -85.2 -0.6 516 524 A E - 0 0 97 -9,-0.2 -8,-1.5 -7,-0.2 -10,-0.1 0.669 21.8-141.2-148.5 153.1 -103.2 -84.7 2.3 517 525 A P E +P 507 0I 88 0, 0.0 2,-0.3 0, 0.0 -10,-0.2 -0.145 28.9 170.3 -36.3 129.1 -105.3 -83.2 5.1 518 526 A L E -P 506 0I 73 -12,-0.9 -12,-2.9 2,-0.0 2,-0.4 -0.837 23.5-144.9-151.4 103.4 -103.2 -82.0 8.0 519 527 A L E -P 505 0I 80 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.2 -0.614 12.2-162.6 -78.1 127.0 -105.2 -79.9 10.6 520 528 A Y E -P 504 0I 47 -16,-3.0 -16,-1.9 -2,-0.4 2,-0.4 -0.950 8.3-178.3-107.7 131.2 -103.2 -77.1 12.3 521 529 A V E -P 503 0I 4 -2,-0.5 -18,-0.2 -18,-0.2 5,-0.1 -0.987 41.7 -94.0-123.3 141.1 -104.5 -75.5 15.5 522 530 A N > - 0 0 0 -20,-3.3 4,-2.6 -2,-0.4 5,-0.2 -0.249 34.1-134.1 -48.6 128.2 -102.7 -72.7 17.2 523 531 A Q H > S+ 0 0 133 1,-0.3 4,-2.2 2,-0.2 -1,-0.1 0.832 104.1 49.5 -63.3 -36.1 -100.5 -74.3 19.9 524 532 A V H > S+ 0 0 8 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.884 110.8 51.0 -71.2 -35.3 -101.5 -71.9 22.7 525 533 A L H > S+ 0 0 2 2,-0.2 4,-3.0 1,-0.2 3,-0.3 0.958 109.1 52.1 -60.9 -46.6 -105.2 -72.6 21.8 526 534 A R H < S+ 0 0 96 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.908 111.7 47.2 -52.9 -45.5 -104.3 -76.3 22.0 527 535 A E H < S+ 0 0 125 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.784 121.2 33.4 -65.4 -33.3 -102.8 -75.7 25.5 528 536 A K H < S+ 0 0 67 -4,-1.9 2,-0.2 -3,-0.3 -2,-0.2 0.796 101.8 76.0-100.4 -33.4 -105.6 -73.6 27.0 529 537 A L S < S- 0 0 6 -4,-3.0 24,-0.0 -5,-0.3 0, 0.0 -0.592 92.2 -98.0 -87.0 144.2 -108.8 -74.9 25.5 530 538 A N > - 0 0 88 -2,-0.2 4,-3.1 1,-0.2 5,-0.2 -0.408 26.6-136.2 -56.1 121.5 -110.4 -78.2 26.6 531 539 A P H > S+ 0 0 99 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.754 108.8 53.8 -55.9 -23.7 -109.3 -81.0 24.1 532 540 A E H > S+ 0 0 160 2,-0.2 4,-1.4 1,-0.1 -2,-0.0 0.943 110.4 43.8 -73.6 -50.1 -113.0 -82.1 24.3 533 541 A I H > S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.923 111.1 57.5 -51.9 -51.8 -114.2 -78.6 23.4 534 542 A L H X S+ 0 0 18 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.888 105.1 48.5 -46.7 -51.0 -111.5 -78.3 20.7 535 543 A K H < S+ 0 0 147 -4,-1.5 4,-0.4 -5,-0.2 -1,-0.2 0.841 113.2 48.0 -69.2 -33.4 -112.7 -81.4 18.8 536 544 A R H >< S+ 0 0 119 -4,-1.4 3,-0.7 -3,-0.3 4,-0.3 0.992 121.0 33.0 -64.3 -62.8 -116.3 -80.3 18.8 537 545 A I H >X S+ 0 0 4 -4,-2.4 4,-2.2 1,-0.2 3,-1.0 0.711 91.9 92.0 -69.3 -29.2 -115.8 -76.7 17.6 538 546 A E H 3X S+ 0 0 33 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.756 86.6 53.6 -38.1 -40.7 -112.7 -77.3 15.3 539 547 A K H <> S+ 0 0 161 -3,-0.7 4,-1.8 -4,-0.4 -1,-0.3 0.930 112.0 40.6 -65.3 -50.1 -115.1 -77.8 12.4 540 548 A E H <> S+ 0 0 46 -3,-1.0 4,-3.0 -4,-0.3 6,-0.3 0.787 111.1 59.9 -71.0 -30.9 -117.0 -74.6 12.8 541 549 A L H X S+ 0 0 6 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.916 108.1 42.8 -64.2 -47.3 -113.7 -72.7 13.5 542 550 A I H < S+ 0 0 64 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.897 117.9 48.2 -64.8 -42.0 -112.2 -73.6 10.2 543 551 A E H < S+ 0 0 142 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.917 123.5 30.3 -57.7 -46.6 -115.6 -72.8 8.5 544 552 A K H < S- 0 0 98 -4,-3.0 -2,-0.2 2,-0.2 -3,-0.2 0.707 92.9-135.6 -97.7 -24.9 -116.1 -69.4 10.2 545 553 A G S < S+ 0 0 22 -4,-2.5 2,-0.3 -5,-0.2 20,-0.2 0.462 76.5 55.9 85.7 5.3 -112.5 -68.2 10.7 546 554 A S S S- 0 0 7 -6,-0.3 3,-0.2 -5,-0.2 -2,-0.2 -0.975 72.3-131.4-158.6 158.4 -113.0 -67.1 14.3 547 555 A L S > S+ 0 0 1 14,-0.4 3,-2.0 -2,-0.3 6,-0.1 0.580 82.4 100.5 -83.4 -14.3 -114.2 -68.3 17.7 548 556 A K T 3 S+ 0 0 126 1,-0.3 -1,-0.1 10,-0.1 5,-0.1 0.809 88.0 31.4 -48.8 -49.2 -116.5 -65.3 18.1 549 557 A D T 3 S+ 0 0 88 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.1 -0.203 87.1 119.8-107.5 40.5 -119.9 -66.9 17.1 550 558 A I X - 0 0 1 -3,-2.0 3,-0.8 3,-0.1 2,-0.2 -0.923 63.6-123.7-103.7 123.9 -119.3 -70.5 18.3 551 559 A P T 3 S+ 0 0 80 0, 0.0 -2,-0.1 0, 0.0 -14,-0.0 -0.470 85.4 10.8 -62.5 131.9 -121.8 -71.7 21.0 552 560 A D T 3 S+ 0 0 145 1,-0.3 -15,-0.1 -2,-0.2 3,-0.0 0.797 81.5 127.1 71.5 33.1 -120.3 -72.9 24.3 553 561 A V S < S- 0 0 5 -3,-0.8 -1,-0.3 -6,-0.1 5,-0.1 -0.978 74.5 -95.7-104.8 133.9 -116.7 -71.8 24.1 554 562 A P >> - 0 0 63 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.124 25.9-123.9 -53.8 147.1 -116.0 -69.9 27.3 555 563 A E H 3> S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.903 109.8 55.8 -57.4 -45.2 -116.2 -66.1 27.0 556 564 A K H 3> S+ 0 0 175 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.751 107.1 50.3 -60.4 -28.2 -112.7 -65.5 28.2 557 565 A I H <> S+ 0 0 18 -3,-0.8 4,-2.9 2,-0.2 -1,-0.2 0.913 110.1 48.9 -76.2 -45.5 -111.3 -67.8 25.5 558 566 A K H < S+ 0 0 32 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.838 113.5 49.0 -60.7 -32.5 -113.2 -66.0 22.8 559 567 A K H < S+ 0 0 129 -4,-2.0 3,-0.4 -5,-0.2 -159,-0.2 0.875 117.8 37.6 -78.3 -35.9 -111.9 -62.7 24.2 560 568 A V H < S+ 0 0 9 -4,-1.6 2,-2.1 1,-0.2 -161,-0.5 0.939 109.4 60.9 -77.8 -48.3 -108.3 -63.7 24.4 561 569 A F S < S+ 0 0 0 -4,-2.9 -14,-0.4 -5,-0.2 2,-0.3 -0.335 73.2 152.1 -87.6 59.4 -108.0 -65.8 21.2 562 570 A V - 0 0 9 -2,-2.1 -63,-0.4 -3,-0.4 2,-0.2 -0.603 29.8-151.1 -82.8 146.6 -108.9 -63.1 18.8 563 571 A V >> - 0 0 2 -2,-0.3 3,-1.5 -65,-0.1 4,-0.7 -0.618 38.5 -83.3-108.7 176.0 -107.7 -63.2 15.2 564 572 A A G >4 S+ 0 0 2 -65,-2.1 3,-1.2 1,-0.3 -64,-0.1 0.884 127.2 47.4 -48.0 -50.4 -107.0 -60.3 12.7 565 573 A L G 34 S+ 0 0 67 -65,-0.4 -1,-0.3 1,-0.2 -65,-0.1 0.618 102.5 61.4 -75.2 -11.7 -110.6 -59.9 11.6 566 574 A D G <4 S+ 0 0 37 -3,-1.5 2,-0.5 2,-0.1 -1,-0.2 0.569 94.7 79.7 -73.2 -15.2 -112.1 -59.9 15.2 567 575 A I S << S- 0 0 4 -3,-1.2 5,-0.1 -4,-0.7 25,-0.1 -0.848 84.6-130.0-105.3 126.5 -110.0 -56.8 15.7 568 576 A D >> - 0 0 79 -2,-0.5 4,-1.9 1,-0.1 3,-0.7 -0.270 25.2-104.3 -79.8 160.0 -111.5 -53.6 14.4 569 577 A P H 3> S+ 0 0 20 0, 0.0 4,-2.5 0, 0.0 3,-0.2 0.870 119.2 51.2 -50.4 -46.9 -109.5 -51.2 12.2 570 578 A M H 3> S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.869 108.0 52.6 -61.8 -32.1 -108.9 -48.6 15.0 571 579 A D H <> S+ 0 0 31 -3,-0.7 4,-1.2 2,-0.2 -1,-0.2 0.828 109.2 49.6 -74.1 -29.7 -107.6 -51.3 17.3 572 580 A H H X S+ 0 0 0 -4,-1.9 4,-1.9 -3,-0.2 -2,-0.2 0.935 113.4 47.5 -62.2 -46.7 -105.1 -52.4 14.6 573 581 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.899 109.4 51.0 -65.1 -44.3 -104.0 -48.7 14.2 574 582 A L H X S+ 0 0 45 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.865 106.4 55.6 -66.2 -32.6 -103.6 -48.0 17.9 575 583 A M H X S+ 0 0 0 -4,-1.2 4,-2.0 -5,-0.2 5,-0.2 0.964 107.9 48.3 -60.1 -48.8 -101.5 -51.1 18.3 576 584 A Q H X S+ 0 0 4 -4,-1.9 4,-3.2 1,-0.2 5,-0.2 0.922 109.7 54.0 -51.3 -46.3 -99.1 -49.8 15.5 577 585 A D H X S+ 0 0 10 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.919 105.2 54.1 -57.9 -40.9 -99.1 -46.4 17.3 578 586 A A H < S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.889 115.1 37.8 -64.0 -44.9 -98.0 -48.1 20.6 579 587 A F H >< S+ 0 0 0 -4,-2.0 3,-2.6 1,-0.2 -1,-0.2 0.907 109.9 61.1 -72.6 -37.9 -95.0 -49.9 19.1 580 588 A Q H >< S+ 0 0 2 -4,-3.2 3,-1.3 1,-0.3 -129,-0.5 0.825 92.0 68.8 -60.7 -22.9 -94.1 -46.9 16.8 581 589 A R T 3< S+ 0 0 52 -4,-1.2 -129,-2.6 1,-0.3 -1,-0.3 0.718 110.3 32.6 -68.2 -17.5 -93.6 -44.8 19.9 582 590 A Y T < S+ 0 0 0 -3,-2.6 2,-0.4 -4,-0.2 -1,-0.3 0.030 100.9 90.2-130.4 27.7 -90.5 -46.9 20.8 583 591 A V < - 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0 0 13 237,-3.0 3,-1.6 41,-0.1 4,-1.1 -0.216 54.5 -97.0 -58.1 154.6 -78.6 -40.4 -43.4 717 91 B S H 3> S+ 0 0 23 1,-0.3 4,-2.5 2,-0.2 3,-0.4 0.804 118.2 61.4 -40.4 -49.2 -81.4 -38.6 -41.3 718 92 B P H 3> S+ 0 0 12 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.864 102.7 53.5 -53.8 -34.7 -79.5 -38.1 -38.1 719 93 B T H <> S+ 0 0 0 -3,-1.6 4,-1.6 38,-0.4 -2,-0.2 0.906 112.3 45.0 -65.2 -40.6 -77.0 -35.9 -40.0 720 94 B L H < S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.4 -3,-0.1 0.831 118.4 41.9 -70.0 -35.3 -79.8 -33.8 -41.3 721 95 B F H < S+ 0 0 65 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.864 125.5 30.4 -74.4 -40.4 -81.7 -33.6 -37.9 722 96 B N H >< S+ 0 0 25 -4,-2.5 3,-1.6 -5,-0.3 2,-0.2 0.494 77.7 117.5-114.6 -4.1 -78.7 -33.0 -35.7 723 97 B A T 3< S+ 0 0 0 -4,-1.6 -49,-0.1 1,-0.2 -50,-0.1 -0.474 88.0 19.2 -64.9 126.1 -76.0 -31.1 -37.6 724 98 B G T > S+ 0 0 2 1,-0.3 3,-1.8 -2,-0.2 2,-0.3 0.511 80.6 153.0 93.1 3.3 -75.4 -27.8 -35.8 725 99 B L T < S+ 0 0 35 -3,-1.6 27,-2.0 1,-0.2 -1,-0.3 -0.547 73.6 21.8 -68.3 126.8 -77.1 -28.7 -32.5 726 100 B G T 3 S+ 0 0 41 1,-0.3 -1,-0.2 -2,-0.3 2,-0.2 0.095 99.8 119.6 104.3 -20.2 -75.4 -26.5 -29.9 727 101 B V S < S- 0 0 7 -3,-1.8 -1,-0.3 1,-0.1 5,-0.1 -0.503 74.8 -98.8 -91.0 143.6 -74.3 -23.9 -32.4 728 102 B K >> - 0 0 140 -2,-0.2 3,-2.2 1,-0.1 4,-0.7 -0.351 29.7-132.5 -54.4 130.4 -75.3 -20.2 -32.4 729 103 B H H >> S+ 0 0 93 1,-0.3 3,-1.3 2,-0.2 4,-1.0 0.906 105.2 61.8 -55.0 -42.0 -78.0 -19.7 -35.0 730 104 B D H 34 S+ 0 0 120 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.593 104.3 49.5 -62.5 -9.6 -76.2 -16.7 -36.5 731 105 B L H <4 S+ 0 0 15 -3,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.646 102.2 61.7 -98.4 -14.5 -73.3 -19.0 -37.4 732 106 B L H << S+ 0 0 1 -3,-1.3 -56,-0.2 -4,-0.7 -2,-0.2 0.772 114.6 24.4 -88.7 -33.4 -75.2 -21.8 -39.1 733 107 B W S < S+ 0 0 59 -4,-1.0 -1,-0.2 -57,-0.1 -3,-0.1 0.197 87.3 128.4-115.9 15.0 -76.9 -20.0 -42.0 734 108 B K S S- 0 0 53 -5,-0.2 5,-0.1 1,-0.1 -3,-0.0 -0.402 72.9 -87.7 -74.0 153.5 -74.5 -17.1 -42.5 735 109 B P > - 0 0 60 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.303 32.4-127.4 -64.2 141.9 -73.2 -16.5 -46.1 736 110 B I G > S+ 0 0 28 1,-0.3 3,-1.7 2,-0.2 -2,-0.1 0.837 105.5 60.3 -59.3 -37.1 -70.1 -18.5 -46.8 737 111 B D G 3 S+ 0 0 119 1,-0.3 -1,-0.3 -39,-0.0 -39,-0.0 0.715 104.9 52.7 -64.7 -18.5 -68.0 -15.4 -48.1 738 112 B Q G < S+ 0 0 114 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.475 83.9 113.1 -93.5 -4.6 -68.5 -13.9 -44.6 739 113 B M < - 0 0 4 -3,-1.7 2,-0.2 -4,-0.3 -41,-0.1 -0.451 49.1-162.5 -73.6 138.8 -67.2 -16.9 -42.7 740 114 B T > - 0 0 63 -2,-0.1 4,-1.6 1,-0.1 5,-0.1 -0.695 34.0-107.6-112.6 170.6 -64.0 -16.4 -40.8 741 115 B L H > S+ 0 0 38 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.909 123.2 53.0 -64.0 -41.4 -61.6 -19.0 -39.4 742 116 B E H > S+ 0 0 116 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.840 103.2 58.4 -59.1 -36.6 -62.8 -18.1 -35.9 743 117 B D H > S+ 0 0 27 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.905 108.2 45.0 -56.6 -45.6 -66.4 -18.7 -37.1 744 118 B Y H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.881 110.5 55.1 -67.3 -39.3 -65.6 -22.3 -38.1 745 119 B E H X S+ 0 0 29 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.856 107.8 48.9 -61.8 -35.0 -63.7 -22.8 -34.8 746 120 B E H X S+ 0 0 80 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.868 109.3 51.5 -77.7 -34.2 -66.7 -21.8 -32.8 747 121 B I H >X S+ 0 0 0 -4,-1.8 3,-1.0 1,-0.2 4,-0.6 0.987 110.7 50.0 -59.1 -57.0 -69.0 -24.1 -34.7 748 122 B Y H 3< S+ 0 0 65 -4,-2.8 3,-0.4 1,-0.2 -2,-0.2 0.813 115.2 43.2 -48.9 -35.9 -66.5 -26.9 -34.0 749 123 B R H 3< S+ 0 0 143 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.658 108.1 56.8 -90.7 -16.7 -66.5 -26.1 -30.3 750 124 B S H << + 0 0 27 -4,-1.4 2,-0.2 -3,-1.0 -1,-0.2 0.369 69.4 124.4-101.1 6.9 -70.1 -25.5 -29.7 751 125 B R < - 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0 0 10 -5,-2.7 2,-0.3 -6,-0.1 -1,-0.2 -0.946 52.7-124.5-113.5 126.0 -84.1 -51.8 -68.7 1024 406 B P - 0 0 30 0, 0.0 6,-0.6 0, 0.0 3,-0.3 -0.541 11.8-140.8 -70.0 129.7 -86.4 -54.3 -66.8 1025 407 B Y S S+ 0 0 4 150,-0.4 2,-1.6 -2,-0.3 150,-0.1 0.889 99.4 62.0 -58.7 -40.6 -85.4 -54.7 -63.1 1026 408 B N S S+ 0 0 53 148,-0.2 2,-0.3 4,-0.1 -1,-0.3 -0.418 90.0 91.3 -83.9 67.8 -86.1 -58.5 -63.5 1027 409 B S S > S- 0 0 25 -2,-1.6 4,-1.5 -3,-0.3 5,-0.1 -0.991 81.2-121.1-153.3 150.5 -83.5 -59.2 -66.2 1028 410 B Q H > S+ 0 0 93 -2,-0.3 4,-2.8 2,-0.2 5,-0.3 0.788 114.8 62.9 -58.7 -33.3 -79.9 -60.3 -66.4 1029 411 B E H > S+ 0 0 115 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.961 103.9 46.6 -54.9 -52.2 -79.3 -57.1 -68.2 1030 412 B A H > S+ 0 0 0 -6,-0.6 4,-2.8 1,-0.2 -1,-0.2 0.857 113.8 48.3 -58.0 -38.7 -80.3 -55.1 -65.1 1031 413 B R H X S+ 0 0 23 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.865 111.5 48.1 -76.8 -36.9 -78.2 -57.3 -62.9 1032 414 B D H X S+ 0 0 74 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.901 114.5 47.7 -65.0 -44.0 -75.1 -57.0 -65.1 1033 415 B F H X S+ 0 0 47 -4,-2.7 4,-3.0 -5,-0.3 -2,-0.2 0.958 111.9 50.4 -54.1 -50.9 -75.7 -53.2 -65.2 1034 416 B A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.936 110.4 49.1 -58.4 -49.6 -76.2 -53.2 -61.3 1035 417 B A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.912 112.5 46.6 -59.2 -41.2 -72.9 -55.1 -60.8 1036 418 B N H X S+ 0 0 50 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.932 112.5 50.7 -70.8 -37.6 -70.9 -52.8 -63.1 1037 419 B L H X S+ 0 0 7 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.959 113.5 43.8 -59.1 -51.7 -72.3 -49.7 -61.5 1038 420 B M H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 -2,-0.2 0.898 112.9 52.7 -62.8 -45.2 -71.5 -50.9 -57.9 1039 421 B A H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.900 109.9 48.9 -53.6 -43.6 -68.0 -52.0 -59.0 1040 422 B F H X S+ 0 0 10 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.942 114.2 45.5 -65.3 -46.6 -67.4 -48.6 -60.5 1041 423 B I H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.917 112.9 50.3 -59.0 -45.0 -68.6 -46.9 -57.3 1042 424 B A H X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.2 5,-0.3 0.900 109.1 53.0 -62.8 -41.5 -66.6 -49.3 -55.2 1043 425 B L H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.935 113.3 41.2 -57.3 -51.4 -63.4 -48.6 -57.2 1044 426 B H H X S+ 0 0 12 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.810 113.8 52.9 -75.0 -23.5 -63.6 -44.8 -56.8 1045 427 B A H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.929 111.9 44.3 -74.9 -46.3 -64.6 -45.0 -53.1 1046 428 B H H X S+ 0 0 1 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.856 112.5 52.9 -65.3 -31.5 -61.7 -47.2 -52.2 1047 429 B R H X S+ 0 0 62 -4,-1.7 4,-2.5 -5,-0.3 3,-0.3 0.949 108.7 50.8 -66.5 -47.2 -59.4 -45.0 -54.3 1048 430 B T H X S+ 0 0 5 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.851 106.8 54.2 -52.9 -35.8 -60.7 -42.0 -52.4 1049 431 B S H X S+ 0 0 0 -4,-1.7 50,-1.8 2,-0.2 4,-1.7 0.858 107.8 49.5 -72.7 -36.7 -60.0 -43.8 -49.1 1050 432 B Y H X S+ 0 0 31 -4,-1.7 4,-2.2 -3,-0.3 -2,-0.2 0.947 112.1 49.0 -56.3 -55.1 -56.4 -44.3 -50.2 1051 433 B E H X S+ 0 0 88 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.899 112.6 46.8 -53.7 -46.4 -56.2 -40.6 -51.1 1052 434 B L H X>S+ 0 0 4 -4,-2.7 4,-2.9 2,-0.2 5,-0.6 0.806 107.9 55.8 -70.2 -32.2 -57.7 -39.5 -47.7 1053 435 B G H X5S+ 0 0 2 -4,-1.7 4,-1.6 3,-0.2 -1,-0.2 0.920 109.5 47.8 -64.8 -43.8 -55.3 -41.8 -45.8 1054 436 B K H <5S+ 0 0 120 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.930 120.3 37.5 -55.2 -52.0 -52.4 -40.1 -47.5 1055 437 B E H <5S+ 0 0 52 -4,-2.0 -368,-0.3 -5,-0.2 -2,-0.2 0.854 134.4 17.8 -69.7 -41.3 -53.7 -36.6 -46.8 1056 438 B K H <5S- 0 0 22 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.640 112.9 -85.9-114.3 -25.7 -55.2 -37.1 -43.3 1057 439 B G << - 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0 0 0 -2,-0.4 -39,-2.2 -48,-0.1 -48,-0.2 -0.736 25.8-165.8-174.9 120.9 -56.4 -46.0 -46.3 1099 481 B R S S+ 0 0 25 -50,-1.8 2,-0.3 -41,-0.3 -49,-0.1 0.735 76.1 39.7 -81.5 -23.2 -58.6 -43.8 -44.3 1100 482 B N - 0 0 0 -41,-0.1 -95,-0.2 -54,-0.1 -94,-0.2 -0.969 63.6-140.1-141.6 137.8 -61.6 -46.2 -43.7 1101 483 B V S S- 0 0 0 -97,-2.0 2,-0.3 -2,-0.3 -95,-0.1 0.810 93.3 -5.7 -71.1 -27.9 -62.0 -49.9 -42.9 1102 484 B A - 0 0 1 -97,-0.3 -95,-2.4 -98,-0.2 -1,-0.2 -0.966 58.8-171.8-163.1 161.0 -65.0 -50.2 -45.2 1103 485 B L + 0 0 1 -2,-0.3 -94,-3.2 -97,-0.2 2,-0.3 0.625 51.2 69.6-139.3 -14.5 -67.0 -47.7 -47.3 1104 486 B L B +u 1009 0L 0 -96,-0.3 96,-1.2 -151,-0.0 2,-0.3 -0.839 36.2 144.6-126.9 150.2 -70.1 -49.0 -48.9 1105 487 B T - 0 0 1 -96,-2.4 2,-0.4 -2,-0.3 -94,-0.3 -0.936 38.2-127.0-160.7 176.4 -73.5 -50.2 -48.1 1106 488 B I B -f 1202 0R 0 95,-1.1 97,-3.0 -2,-0.3 -94,-0.1 -0.919 33.2-170.2-135.3 115.8 -77.0 -50.1 -49.6 1107 489 B A - 0 0 6 -2,-0.4 15,-0.3 -96,-0.2 -96,-0.1 -0.393 36.6-108.5-101.0 171.2 -79.5 -48.8 -47.1 1108 490 B P - 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