==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-FEB-10 3LV1 . COMPND 2 MOLECULE: BENZALDEHYDE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR M.P.D.ZAHNISER . 1740 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58883.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1290 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 198 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 2 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 . 101 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 190 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 620 35.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 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 0 0 1 8 4 1 2 4 11 9 4 2 6 2 6 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 11 20 8 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 . 4 9 7 0 0 0 0 4 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 . 5 3 0 0 4 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 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 2 A N 0 0 198 0, 0.0 171,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-143.4 36.7 28.9 -76.3 2 3 A Y - 0 0 76 1,-0.1 2,-0.3 168,-0.1 170,-0.1 0.136 360.0 -92.0 -64.3 173.8 38.1 25.4 -75.7 3 4 A L - 0 0 52 168,-0.6 -1,-0.1 1,-0.1 167,-0.0 -0.689 40.9-113.9 -89.3 141.3 41.6 23.9 -76.3 4 5 A S >> - 0 0 60 -2,-0.3 4,-2.1 1,-0.1 3,-0.5 -0.342 26.2-111.2 -69.3 153.6 42.4 22.3 -79.7 5 6 A P H 3> S+ 0 0 83 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.724 119.0 53.8 -58.7 -20.9 43.1 18.5 -79.8 6 7 A A H 3> S+ 0 0 70 2,-0.2 4,-1.9 3,-0.2 5,-0.0 0.832 108.1 45.2 -83.6 -35.4 46.7 19.5 -80.6 7 8 A K H <> S+ 0 0 123 -3,-0.5 4,-1.4 2,-0.2 -1,-0.1 0.763 113.5 52.5 -78.8 -25.3 47.3 21.8 -77.7 8 9 A I H >X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 3,-0.8 0.976 111.2 45.1 -67.1 -58.1 45.7 19.2 -75.4 9 10 A D H 3X S+ 0 0 64 -4,-1.8 4,-2.2 1,-0.3 -2,-0.2 0.905 113.0 53.7 -45.6 -43.5 48.1 16.5 -76.8 10 11 A S H 3X S+ 0 0 77 -4,-1.9 4,-0.7 1,-0.2 -1,-0.3 0.842 109.3 46.9 -64.0 -34.0 50.8 19.2 -76.4 11 12 A L H <>S+ 0 0 46 -4,-2.8 3,-1.0 1,-0.2 5,-0.8 0.924 111.4 48.6 -57.1 -44.5 57.7 16.8 -66.1 19 20 A F H ><5S+ 0 0 31 -4,-3.4 3,-2.6 1,-0.2 5,-0.3 0.920 102.5 59.7 -61.2 -44.2 56.8 13.6 -64.2 20 21 A A H 3<5S+ 0 0 72 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.620 92.7 74.2 -60.6 -9.8 59.8 11.6 -65.7 21 22 A T T <<5S- 0 0 80 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.641 102.4-129.6 -75.5 -18.5 61.8 14.3 -64.1 22 23 A R T X 5 + 0 0 110 -3,-2.6 3,-1.4 -4,-0.2 4,-0.4 0.673 64.4 139.5 69.2 18.4 61.3 12.9 -60.6 23 24 A A T 3 < + 0 0 23 -5,-0.8 3,-0.3 1,-0.3 -4,-0.1 0.814 68.2 47.1 -60.4 -34.3 60.2 16.4 -59.6 24 25 A T T 3 S+ 0 0 2 -5,-0.3 -1,-0.3 112,-0.2 6,-0.1 0.352 84.9 100.6 -93.7 6.3 57.4 15.2 -57.5 25 26 A A < + 0 0 56 -3,-1.4 -1,-0.2 -6,-0.1 -2,-0.1 0.941 63.8 71.0 -59.8 -55.8 59.4 12.5 -55.7 26 27 A D S > S- 0 0 95 -4,-0.4 4,-1.2 -3,-0.3 3,-0.5 -0.361 76.5-130.9 -80.1 142.3 60.2 14.2 -52.3 27 28 A V H > S+ 0 0 39 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.781 103.7 62.6 -61.6 -31.5 57.6 14.8 -49.6 28 29 A G H > S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.954 101.9 50.8 -56.2 -52.0 58.6 18.4 -49.2 29 30 A F H > S+ 0 0 34 -3,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.860 110.9 49.5 -54.5 -39.0 57.6 19.3 -52.7 30 31 A R H X S+ 0 0 14 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.905 107.7 53.0 -71.6 -40.8 54.2 17.6 -52.2 31 32 A K H X S+ 0 0 46 -4,-2.6 4,-2.8 1,-0.2 3,-0.3 0.930 109.7 49.0 -58.7 -45.2 53.6 19.5 -48.9 32 33 A Q H X S+ 0 0 115 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.867 106.0 57.8 -60.7 -37.0 54.3 22.8 -50.7 33 34 A S H X S+ 0 0 0 -4,-1.6 4,-1.6 -5,-0.2 -1,-0.2 0.861 110.8 42.8 -64.0 -34.2 51.9 21.7 -53.5 34 35 A L H X S+ 0 0 0 -4,-1.7 4,-2.8 -3,-0.3 5,-0.2 0.948 112.6 51.6 -73.7 -50.6 49.1 21.4 -50.9 35 36 A E H X S+ 0 0 94 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.922 113.0 47.4 -47.0 -49.1 50.0 24.6 -49.1 36 37 A R H X S+ 0 0 92 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.872 110.6 50.4 -63.6 -40.9 49.9 26.3 -52.4 37 38 A L H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.873 109.4 52.5 -63.9 -38.5 46.6 24.7 -53.4 38 39 A K H X S+ 0 0 50 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.833 106.7 52.9 -67.8 -33.6 45.1 25.8 -50.0 39 40 A E H X S+ 0 0 112 -4,-1.6 4,-3.2 -5,-0.2 -2,-0.2 0.929 108.4 48.9 -68.5 -45.2 46.2 29.4 -50.6 40 41 A A H < S+ 0 0 0 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.867 110.6 51.6 -61.2 -39.8 44.5 29.6 -54.0 41 42 A V H >< S+ 0 0 0 -4,-1.8 3,-1.3 2,-0.2 -1,-0.2 0.960 114.9 41.1 -62.1 -51.7 41.3 28.2 -52.6 42 43 A I H >< S+ 0 0 69 -4,-2.1 3,-1.4 1,-0.3 4,-0.3 0.918 110.9 56.3 -62.6 -47.3 41.3 30.7 -49.8 43 44 A N T 3< S+ 0 0 110 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.411 114.8 41.7 -64.2 4.0 42.3 33.6 -52.0 44 45 A N T <> S+ 0 0 11 -3,-1.3 4,-1.3 -5,-0.1 -1,-0.2 0.243 72.9 115.3-138.2 12.5 39.3 32.8 -54.2 45 46 A K H X> S+ 0 0 62 -3,-1.4 4,-2.7 1,-0.2 3,-0.8 0.913 76.2 54.8 -49.5 -52.5 36.4 32.1 -51.9 46 47 A E H 3> S+ 0 0 132 1,-0.3 4,-2.5 -4,-0.3 -1,-0.2 0.917 107.1 49.0 -54.1 -50.4 34.3 35.1 -53.0 47 48 A A H 3> S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.777 112.0 52.3 -60.0 -27.5 34.4 34.1 -56.7 48 49 A L H S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 6,-1.5 0.858 111.5 51.9 -70.4 -36.6 28.2 28.5 -57.2 53 54 A A H X5S+ 0 0 40 -4,-2.1 4,-0.8 -5,-0.4 -2,-0.2 0.917 115.6 43.7 -59.8 -43.1 25.3 30.7 -56.4 54 55 A E H <5S+ 0 0 101 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.964 118.5 41.3 -66.9 -54.9 25.0 31.4 -60.1 55 56 A D H <5S- 0 0 10 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.894 141.4 -1.8 -63.6 -46.2 25.4 27.9 -61.3 56 57 A L H <5S- 0 0 1 -4,-2.5 228,-3.1 -5,-0.2 -3,-0.2 0.440 93.7-108.4-132.6 -3.6 23.3 26.0 -58.7 57 58 A G << - 0 0 25 -5,-1.1 -4,-0.3 -4,-0.8 -3,-0.1 0.815 51.3-179.6 77.9 31.0 22.0 28.6 -56.3 58 59 A K - 0 0 8 -6,-1.5 -1,-0.2 -9,-0.1 225,-0.1 -0.543 25.1-126.7 -73.9 123.2 24.2 27.4 -53.5 59 60 A P > - 0 0 80 0, 0.0 4,-2.1 0, 0.0 3,-0.4 -0.287 23.6-115.4 -53.9 146.7 23.9 29.3 -50.1 60 61 A K H > S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.905 115.2 50.6 -58.9 -45.1 27.1 30.6 -48.7 61 62 A D H > S+ 0 0 131 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.782 108.6 52.2 -68.0 -26.7 27.0 28.4 -45.7 62 63 A V H > S+ 0 0 31 -3,-0.4 4,-2.4 2,-0.2 5,-0.4 0.892 108.7 49.8 -75.2 -41.2 26.4 25.3 -47.8 63 64 A V H X>S+ 0 0 0 -4,-2.1 5,-1.9 1,-0.2 4,-1.4 0.887 109.0 54.7 -58.5 -40.5 29.4 26.2 -50.0 64 65 A D H <>S+ 0 0 60 -4,-2.2 5,-1.0 -5,-0.2 -2,-0.2 0.886 116.8 35.2 -62.6 -39.0 31.4 26.6 -46.7 65 66 A L H <5S+ 0 0 65 -4,-1.5 5,-0.4 4,-0.2 -2,-0.2 0.982 129.8 25.4 -78.2 -62.4 30.4 23.1 -45.5 66 67 A A H <5S+ 0 0 4 -4,-2.4 57,-0.2 3,-0.2 -3,-0.2 0.476 132.2 24.7 -87.4 -4.5 30.4 20.8 -48.7 67 68 A E T X5S+ 0 0 0 -4,-1.4 4,-1.7 -5,-0.4 5,-0.2 0.608 128.2 17.7-123.8 -81.7 32.7 22.8 -50.9 68 69 A I H > S+ 0 0 10 -5,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.898 112.1 42.7 -68.0 -42.2 35.5 20.0 -47.2 71 72 A V H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.788 114.4 52.5 -76.0 -24.1 38.6 20.5 -49.4 72 73 A L H X S+ 0 0 17 -4,-1.6 4,-2.8 -5,-0.2 5,-0.2 0.914 108.2 48.9 -75.6 -41.0 40.3 22.6 -46.8 73 74 A H H X S+ 0 0 100 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.897 111.8 50.5 -63.9 -39.5 39.8 20.1 -44.0 74 75 A E H X S+ 0 0 12 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.945 110.9 48.6 -63.5 -49.4 41.2 17.3 -46.3 75 76 A I H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.961 111.8 47.9 -52.8 -55.3 44.2 19.4 -47.1 76 77 A D H X S+ 0 0 68 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.889 112.7 51.0 -56.0 -38.5 45.0 20.2 -43.5 77 78 A F H X S+ 0 0 30 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.884 111.4 45.8 -65.7 -42.0 44.5 16.5 -42.7 78 79 A A H >X S+ 0 0 3 -4,-2.5 4,-3.0 1,-0.2 3,-1.1 0.949 110.8 53.2 -68.0 -47.8 46.9 15.3 -45.4 79 80 A L H 3< S+ 0 0 22 -4,-2.9 4,-0.4 1,-0.3 -1,-0.2 0.841 107.4 53.4 -53.8 -35.5 49.5 18.0 -44.5 80 81 A A H 3< S+ 0 0 52 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.768 124.1 23.4 -73.6 -25.2 49.4 16.7 -40.9 81 82 A H H XX S+ 0 0 11 -3,-1.1 4,-2.0 -4,-0.9 3,-1.6 0.560 89.0 100.1-115.8 -13.9 50.0 13.1 -41.8 82 83 A L H 3X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.3 5,-0.2 0.837 79.8 58.9 -53.0 -40.4 51.8 13.1 -45.1 83 84 A D H 34 S+ 0 0 50 -4,-0.4 4,-0.4 1,-0.2 -1,-0.3 0.848 110.9 42.3 -55.0 -38.2 55.3 12.6 -43.5 84 85 A E H X4 S+ 0 0 80 -3,-1.6 3,-1.3 1,-0.2 -1,-0.2 0.940 111.7 54.9 -73.4 -48.0 54.1 9.3 -41.9 85 86 A W H 3< S+ 0 0 32 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.847 106.6 50.2 -53.3 -42.3 52.3 8.1 -45.0 86 87 A V T 3< S+ 0 0 36 -4,-2.3 -1,-0.3 -5,-0.2 20,-0.2 0.527 82.4 107.2 -83.1 -7.2 55.2 8.4 -47.3 87 88 A A S < S- 0 0 23 -3,-1.3 875,-0.0 -4,-0.4 -3,-0.0 -0.586 80.6-112.2 -71.0 125.6 57.7 6.5 -45.1 88 89 A P - 0 0 65 0, 0.0 2,-0.6 0, 0.0 17,-0.2 -0.237 30.5-128.7 -54.3 148.3 58.4 3.0 -46.6 89 90 A V E -A 104 0A 87 15,-2.3 15,-3.3 -3,-0.0 2,-0.1 -0.901 13.9-145.4-107.1 117.9 57.0 0.3 -44.4 90 91 A S E -A 103 0A 37 -2,-0.6 13,-0.3 13,-0.3 872,-0.1 -0.488 20.8-169.5 -75.9 154.5 59.2 -2.5 -43.5 91 92 A V E -A 102 0A 25 11,-2.0 11,-0.7 -2,-0.1 748,-0.0 -0.915 25.9 -84.0-140.3 163.8 57.6 -6.0 -43.1 92 93 A P - 0 0 12 0, 0.0 746,-0.2 0, 0.0 864,-0.1 -0.246 32.4-136.9 -64.5 152.8 58.6 -9.5 -41.8 93 94 A S - 0 0 32 862,-0.3 7,-0.1 7,-0.1 5,-0.1 -0.972 18.5-129.2-111.3 122.0 60.5 -12.0 -43.8 94 95 A P > - 0 0 7 0, 0.0 3,-1.4 0, 0.0 4,-0.1 -0.201 25.6-113.4 -59.0 160.5 59.3 -15.6 -43.7 95 96 A D G > S+ 0 0 78 1,-0.3 3,-1.8 2,-0.2 805,-0.0 0.832 111.6 73.4 -66.8 -27.6 62.0 -18.1 -42.9 96 97 A I G 3 S+ 0 0 94 1,-0.3 -1,-0.3 739,-0.1 740,-0.0 0.590 104.4 36.0 -65.4 -13.2 61.6 -19.5 -46.4 97 98 A I G < S+ 0 0 2 -3,-1.4 -1,-0.3 3,-0.1 -2,-0.2 0.147 97.7 174.3-125.1 17.8 63.3 -16.5 -48.0 98 99 A A < + 0 0 68 -3,-1.8 2,-0.1 1,-0.1 3,-0.0 -0.440 49.1 41.8 -73.7 146.4 65.9 -15.9 -45.2 99 100 A P S S+ 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.573 91.1 103.9 -88.7 142.9 68.2 -14.1 -45.0 100 101 A S - 0 0 23 334,-0.1 2,-0.4 -7,-0.1 334,-0.2 -0.968 55.6-129.0-168.4 166.2 66.6 -10.9 -46.4 101 102 A E E - B 0 433A 124 332,-2.2 332,-3.5 -2,-0.3 2,-0.3 -0.992 28.7-171.0-123.9 127.7 65.1 -7.5 -45.6 102 103 A C E +AB 91 432A 6 -11,-0.7 -11,-2.0 -2,-0.4 2,-0.3 -0.886 12.1 158.4-124.0 149.1 61.7 -6.6 -47.0 103 104 A Y E -AB 90 431A 32 328,-1.9 328,-2.1 -2,-0.3 2,-0.4 -0.977 31.8-118.8-156.3 167.2 59.6 -3.5 -47.2 104 105 A V E -AB 89 430A 11 -15,-3.3 -15,-2.3 -2,-0.3 2,-0.4 -0.937 19.5-164.6-116.7 138.5 56.8 -1.9 -49.1 105 106 A V E - B 0 429A 24 324,-2.5 324,-3.2 -2,-0.4 2,-0.7 -0.948 15.8-140.4-118.0 134.7 57.0 1.3 -51.1 106 107 A Q E - B 0 428A 33 -2,-0.4 322,-0.2 322,-0.2 -2,-0.0 -0.879 29.5-164.0 -96.1 113.5 54.0 3.3 -52.3 107 108 A E E - B 0 427A 12 320,-2.8 320,-2.4 -2,-0.7 29,-0.1 -0.794 19.2-110.6-108.2 138.3 54.9 4.5 -55.7 108 109 A P E - B 0 426A 19 0, 0.0 318,-0.2 0, 0.0 28,-0.1 -0.170 15.4-144.9 -53.6 152.7 53.3 7.2 -57.9 109 110 A Y - 0 0 26 316,-0.7 2,-0.4 1,-0.2 317,-0.1 0.863 39.0-127.2 -85.2 -44.1 51.4 6.2 -61.0 110 111 A G + 0 0 0 28,-0.1 28,-2.1 -91,-0.0 2,-0.6 -0.962 68.7 19.9 139.1-122.8 52.4 9.2 -63.1 111 112 A V E S-h 138 0B 0 -2,-0.4 75,-2.8 26,-0.2 76,-0.7 -0.791 72.5-165.8 -91.2 121.6 50.1 11.5 -65.1 112 113 A T E -hi 139 187B 0 26,-1.5 28,-2.0 -2,-0.6 2,-0.4 -0.680 13.3-142.3-111.4 163.2 46.6 11.3 -63.8 113 114 A Y E -hi 140 188B 1 74,-1.8 76,-2.9 -2,-0.2 2,-0.5 -0.985 10.8-166.8-128.0 123.0 43.2 12.5 -65.1 114 115 A I E -hi 141 189B 0 26,-2.4 28,-2.9 -2,-0.4 2,-0.7 -0.943 3.5-162.2-114.2 123.1 40.4 13.9 -62.9 115 116 A I E -hi 142 190B 6 74,-2.3 76,-1.4 -2,-0.5 26,-0.1 -0.887 13.3-148.6-104.5 111.0 36.8 14.3 -64.3 116 117 A G - 0 0 4 26,-1.5 29,-0.1 -2,-0.7 2,-0.1 -0.521 5.5-139.9 -77.2 142.4 34.6 16.7 -62.3 117 118 A P - 0 0 15 0, 0.0 27,-0.5 0, 0.0 7,-0.1 -0.447 20.0-120.0 -86.3 169.6 30.8 16.3 -62.0 118 119 A F S S+ 0 0 36 1,-0.1 74,-0.0 -2,-0.1 -2,-0.0 0.884 97.5 67.9 -76.8 -38.2 28.5 19.2 -62.1 119 120 A N S S+ 0 0 2 1,-0.3 -1,-0.1 2,-0.1 127,-0.1 0.691 118.4 10.9 -69.9 -29.1 26.9 18.9 -58.7 120 121 A Y S > S+ 0 0 16 -3,-0.1 4,-2.7 1,-0.1 -1,-0.3 -0.429 76.2 172.2-141.1 63.9 29.7 19.7 -56.3 121 122 A P T 4 S+ 0 0 1 0, 0.0 4,-0.3 0, 0.0 5,-0.2 0.734 73.6 42.3 -53.8 -38.6 32.3 21.0 -58.7 122 123 A V T >> S+ 0 0 0 2,-0.2 4,-2.5 3,-0.2 3,-0.9 0.957 117.4 43.8 -75.1 -52.7 34.9 22.2 -56.1 123 124 A N H 3> S+ 0 0 17 1,-0.2 4,-2.1 -57,-0.2 -1,-0.1 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389C 0 21,-1.5 23,-2.3 -2,-0.3 2,-0.4 -0.959 17.4-162.7-110.1 133.8 22.2 3.0 -47.1 368 369 A Y E -np 221 390C 0 -148,-1.7 -146,-2.8 -2,-0.4 2,-0.4 -0.960 6.3-174.2-118.4 137.1 20.6 5.0 -44.3 369 370 A V E -np 222 391C 0 21,-1.4 23,-2.1 -2,-0.4 2,-0.6 -0.982 7.0-164.3-134.1 122.4 18.6 3.6 -41.4 370 371 A F E +n 223 0C 0 -148,-2.7 -146,-2.6 -2,-0.4 -143,-0.3 -0.923 41.0 106.7-109.8 118.9 16.7 5.5 -38.8 371 372 A G - 0 0 0 -2,-0.6 -144,-0.2 -148,-0.2 -143,-0.1 -0.950 63.3-124.2-177.5 165.6 15.8 3.6 -35.6 372 373 A K S S+ 0 0 82 -2,-0.3 2,-0.9 1,-0.1 -145,-0.1 0.441 86.8 86.8-110.2 -1.4 16.7 3.3 -32.0 373 374 A D > - 0 0 73 1,-0.2 4,-2.5 2,-0.0 5,-0.2 -0.864 59.3-170.0 -97.8 102.0 17.4 -0.4 -31.9 374 375 A M H > S+ 0 0 48 -2,-0.9 4,-3.6 1,-0.2 5,-0.4 0.934 81.0 54.1 -60.9 -50.4 21.0 -0.6 -32.9 375 376 A D H > S+ 0 0 119 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.868 113.8 44.3 -54.6 -38.7 21.3 -4.4 -33.4 376 377 A V H > S+ 0 0 50 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.921 115.2 47.3 -68.3 -46.4 18.3 -4.3 -35.7 377 378 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.885 113.9 47.0 -65.7 -38.0 19.6 -1.2 -37.6 378 379 A K H X S+ 0 0 54 -4,-3.6 4,-3.2 1,-0.2 -1,-0.2 0.905 107.4 58.0 -69.7 -40.0 23.1 -2.8 -38.0 379 380 A G H X S+ 0 0 24 -4,-1.8 4,-0.5 -5,-0.4 -1,-0.2 0.862 105.7 49.6 -55.0 -40.4 21.5 -6.0 -39.1 380 381 A I H >< S+ 0 0 3 -4,-1.7 3,-1.4 2,-0.2 4,-0.5 0.954 111.8 48.1 -64.1 -48.2 19.8 -4.2 -41.9 381 382 A I H >< S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.3 -2,-0.2 0.913 109.1 53.5 -59.5 -41.8 23.1 -2.5 -42.9 382 383 A N H 3< S+ 0 0 95 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.617 109.9 49.2 -68.8 -11.4 24.9 -5.9 -42.8 383 384 A Q T << S+ 0 0 49 -3,-1.4 2,-0.4 -4,-0.5 -1,-0.2 0.332 101.9 65.4-114.5 4.4 22.4 -7.4 -45.2 384 385 A I S < S- 0 0 0 -3,-1.2 -1,-0.1 -4,-0.5 2,-0.1 -0.960 79.7-135.4-125.5 113.2 22.4 -4.7 -47.9 385 386 A Q + 0 0 34 -2,-0.4 -22,-0.7 -3,-0.1 2,-0.3 -0.435 41.4 150.5 -61.8 134.2 25.6 -4.2 -49.9 386 387 A S - 0 0 0 -23,-0.2 -21,-0.2 -2,-0.1 -20,-0.1 -0.974 58.2-109.7-163.6 155.0 26.4 -0.5 -50.3 387 388 A G S S- 0 0 0 -23,-1.5 479,-0.8 -2,-0.3 2,-0.3 0.894 99.2 -18.3 -53.4 -44.3 29.4 1.8 -50.6 388 389 A D E -pq 366 866C 0 -23,-0.9 -21,-1.5 -24,-0.3 2,-0.3 -0.869 67.6-151.4-152.1 178.7 28.8 3.2 -47.1 389 390 A A E -pq 367 867C 0 477,-2.3 479,-2.2 -2,-0.3 2,-0.3 -0.986 5.6-166.5-162.1 152.0 26.1 3.3 -44.5 390 391 A Q E -pq 368 868C 0 -23,-2.3 -21,-1.4 -2,-0.3 2,-0.4 -0.889 13.9-145.0-134.9 166.9 24.7 5.3 -41.6 391 392 A V E S-pq 369 869C 0 477,-1.8 479,-2.8 -2,-0.3 -21,-0.2 -0.986 87.7 -9.7-132.5 121.1 22.2 5.0 -38.7 392 393 A N S S+ 0 0 1 -23,-2.1 2,-0.3 -2,-0.4 -22,-0.1 0.753 123.7 74.8 62.7 26.2 20.2 8.1 -37.7 393 394 A G - 0 0 1 -24,-0.2 2,-0.3 475,-0.2 -24,-0.2 -0.981 60.1-155.4-155.3 161.7 22.3 10.3 -39.9 394 395 A V - 0 0 0 -2,-0.3 2,-2.3 -3,-0.1 -144,-0.1 -0.985 64.3 -7.2-136.9 150.2 22.8 11.2 -43.6 395 396 A M S > S+ 0 0 4 -146,-0.4 3,-1.4 -2,-0.3 4,-0.1 -0.130 93.3 98.7 77.2 -45.0 25.6 12.5 -45.7 396 397 A L G > + 0 0 29 -2,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.581 62.6 78.9 -63.1 -12.8 28.2 13.5 -43.1 397 398 A H G > S+ 0 0 3 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.897 85.8 63.3 -63.0 -35.8 30.4 10.3 -43.5 398 399 A A G < S+ 0 0 16 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.536 96.1 62.7 -60.6 -6.5 31.8 11.9 -46.6 399 400 A F G < S+ 0 0 37 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.224 83.9 85.7-109.2 13.6 33.2 14.6 -44.3 400 401 A S X - 0 0 0 -3,-1.8 3,-1.1 3,-0.1 -326,-0.0 -0.978 60.2-158.0-112.7 127.5 35.5 12.5 -42.2 401 402 A P T 3 S+ 0 0 13 0, 0.0 18,-0.5 0, 0.0 19,-0.3 0.512 92.0 67.8 -75.3 -9.0 39.0 11.8 -43.5 402 403 A Y T 3 S+ 0 0 44 126,-0.1 15,-0.0 16,-0.1 127,-0.0 0.502 92.8 73.0 -84.6 -6.3 39.1 8.7 -41.3 403 404 A L S < S- 0 0 1 -3,-1.1 2,-0.3 -6,-0.2 -3,-0.1 -0.931 81.1-127.7-115.7 131.1 36.5 7.0 -43.4 404 405 A P - 0 0 0 0, 0.0 2,-0.5 0, 0.0 462,-0.4 -0.569 24.0-153.4 -70.1 132.4 36.9 5.6 -46.9 405 406 A F B +W 416 0G 16 11,-2.2 11,-1.6 -2,-0.3 2,-0.3 -0.949 39.6 106.9-112.6 121.6 34.3 7.0 -49.3 406 407 A G - 0 0 0 -2,-0.5 460,-0.2 9,-0.2 9,-0.2 -0.950 50.1-114.6 179.0 165.7 33.4 4.9 -52.3 407 408 A G - 0 0 1 7,-0.5 2,-0.3 -194,-0.3 7,-0.3 -0.121 15.2-135.2-100.7-164.5 30.8 2.7 -53.9 408 409 A I > - 0 0 2 -45,-0.3 3,-1.7 5,-0.1 -21,-0.2 -0.963 67.6 -17.3-155.4 140.0 30.3 -0.9 -55.0 409 410 A G G > S- 0 0 17 -2,-0.3 3,-1.7 1,-0.3 -2,-0.1 -0.398 137.7 -2.6 61.2-130.0 28.9 -2.3 -58.2 410 411 A A G 3 S+ 0 0 51 1,-0.3 -194,-1.1 -2,-0.1 -1,-0.3 0.761 131.6 63.8 -68.5 -23.5 26.9 0.3 -60.0 411 412 A S G < S- 0 0 0 -3,-1.7 -196,-2.4 -48,-0.6 -1,-0.3 0.654 118.9 -99.6 -71.9 -12.9 27.5 2.8 -57.2 412 413 A G E < -L 214 0B 1 -3,-1.7 2,-0.3 -198,-0.2 -3,-0.3 -0.702 26.1 -91.4 134.0-177.2 31.2 2.5 -58.1 413 414 A M E S+L 213 0B 15 -200,-1.7 -200,-2.7 -2,-0.2 -5,-0.1 -0.996 74.8 28.6-137.9 141.0 34.7 1.0 -57.5 414 415 A G - 0 0 19 -2,-0.3 -7,-0.5 -7,-0.3 2,-0.3 0.217 62.8-124.6 91.4 148.2 37.5 2.4 -55.3 415 416 A E + 0 0 23 -9,-0.2 2,-0.2 5,-0.1 -9,-0.2 -0.882 24.7 171.8-125.7 158.2 37.6 4.6 -52.2 416 417 A Y B +W 405 0G 1 -11,-1.6 -11,-2.2 -2,-0.3 4,-0.1 -0.861 24.3 102.0-151.6-169.2 39.3 7.9 -51.2 417 418 A H S >> S- 0 0 6 1,-0.3 3,-1.3 -2,-0.2 4,-0.7 0.157 84.1 -2.7 94.3 140.3 39.6 10.6 -48.5 418 419 A G H >> S- 0 0 2 1,-0.3 3,-1.4 2,-0.2 4,-1.0 -0.105 136.5 -9.0 49.9-139.9 42.4 10.9 -46.0 419 420 A H H 3> S+ 0 0 67 -18,-0.5 4,-2.3 1,-0.3 -1,-0.3 0.802 131.3 66.9 -58.8 -30.3 45.0 8.2 -46.1 420 421 A F H <> S+ 0 0 37 -3,-1.3 4,-1.8 -19,-0.3 -1,-0.3 0.827 95.4 57.1 -63.7 -27.6 42.8 6.2 -48.5 421 422 A S H - 0 0 59 1,-0.1 4,-2.1 -3,-0.1 5,-0.1 -0.390 26.1-109.5 -70.0 159.2 27.1 -25.3 -73.1 441 6 B P H > S+ 0 0 81 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.859 120.9 54.9 -57.4 -35.6 26.4 -21.5 -72.8 442 7 B A H > S+ 0 0 69 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.941 109.6 45.2 -64.4 -45.5 23.0 -22.4 -71.4 443 8 B K H > S+ 0 0 85 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.820 111.9 53.1 -69.3 -31.6 24.5 -24.6 -68.7 444 9 B I H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.950 108.2 49.3 -64.8 -52.3 27.2 -21.9 -67.9 445 10 B D H X S+ 0 0 68 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.891 110.3 53.1 -50.2 -42.3 24.5 -19.2 -67.4 446 11 B S H X S+ 0 0 67 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.880 107.8 48.7 -68.8 -38.5 22.7 -21.6 -65.1 447 12 B L H X S+ 0 0 17 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.889 111.8 50.6 -62.1 -42.1 25.8 -22.2 -63.0 448 13 B F H X S+ 0 0 14 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.905 108.7 51.7 -62.6 -43.8 26.3 -18.4 -62.8 449 14 B S H X S+ 0 0 77 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.872 107.1 52.9 -63.6 -38.5 22.7 -17.9 -61.7 450 15 B A H X S+ 0 0 41 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.825 108.0 50.5 -68.2 -31.4 23.0 -20.5 -58.9 451 16 B Q H X S+ 0 0 0 -4,-1.4 4,-3.1 2,-0.2 -2,-0.2 0.889 109.3 51.7 -71.6 -39.1 26.1 -18.7 -57.5 452 17 B K H X S+ 0 0 60 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.935 113.2 45.1 -57.5 -48.6 24.2 -15.4 -57.5 453 18 B A H X S+ 0 0 61 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.942 112.9 50.5 -61.3 -48.0 21.4 -17.1 -55.6 454 19 B Y H ><>S+ 0 0 46 -4,-2.5 3,-1.0 1,-0.2 5,-0.8 0.925 109.3 51.1 -58.0 -45.2 23.8 -18.8 -53.2 455 20 B F H ><5S+ 0 0 30 -4,-3.1 3,-2.1 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2,-0.2 -1,-0.3 0.836 89.5 60.5 -60.9 -28.1 59.3 -11.9 -53.2 834 399 B A G < S+ 0 0 15 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.597 97.0 59.3 -74.6 -11.1 56.2 -13.7 -54.7 835 400 B F G < S+ 0 0 40 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.229 85.1 94.8-102.2 14.8 56.5 -16.4 -52.0 836 401 B S X - 0 0 0 -3,-1.2 3,-0.8 1,-0.1 5,-0.1 -0.895 60.1-156.0-106.2 133.7 56.1 -14.1 -49.1 837 402 B P T 3 S+ 0 0 17 0, 0.0 18,-0.5 0, 0.0 19,-0.3 0.566 93.8 62.9 -80.1 -7.0 52.7 -13.5 -47.5 838 403 B Y T 3 S+ 0 0 24 -746,-0.2 15,-0.0 16,-0.1 -745,-0.0 0.457 91.4 77.9 -93.6 -2.1 53.9 -10.2 -46.2 839 404 B L S < S- 0 0 1 -3,-0.8 2,-0.7 -6,-0.2 13,-0.1 -0.916 78.2-128.0-117.2 128.9 54.5 -8.6 -49.6 840 405 B P - 0 0 0 0, 0.0 2,-0.5 0, 0.0 -410,-0.4 -0.615 28.1-153.8 -75.4 114.7 51.9 -7.2 -52.0 841 406 B F B +F 852 0K 11 11,-2.5 11,-1.6 -2,-0.7 2,-0.3 -0.766 40.1 95.0 -95.8 123.3 52.5 -8.9 -55.4 842 407 B G - 0 0 0 -2,-0.5 -412,-0.2 -41,-0.2 9,-0.1 -0.933 54.6-102.3 169.8 168.9 51.4 -7.1 -58.5 843 408 B G - 0 0 1 -194,-0.4 2,-0.3 4,-0.4 7,-0.3 -0.143 16.7-132.6-100.8-171.5 52.4 -4.9 -61.4 844 409 B I > - 0 0 2 -45,-0.3 3,-2.4 5,-0.1 4,-0.2 -0.972 69.5 -21.7-141.7 150.1 52.1 -1.3 -62.6 845 410 B G G > S+ 0 0 15 -2,-0.3 3,-2.1 1,-0.3 -194,-0.1 -0.214 138.2 4.6 48.6-125.9 51.0 -0.0 -66.0 846 411 B A G 3 S+ 0 0 51 1,-0.3 -194,-0.9 -48,-0.1 -1,-0.3 0.634 130.8 60.2 -65.5 -15.3 51.4 -2.8 -68.6 847 412 B S G < S- 0 0 0 -3,-2.4 -196,-1.9 -48,-0.4 -4,-0.4 0.445 117.9 -97.7 -94.2 0.1 52.5 -5.3 -66.0 848 413 B G E < -B 650 0H 4 -3,-2.1 2,-0.4 -4,-0.2 -1,-0.3 -0.547 25.6 -88.4 128.2-178.6 49.1 -4.8 -64.3 849 414 B M E S+B 649 0H 24 -200,-1.6 -200,-2.3 -2,-0.2 -5,-0.1 -1.000 76.0 24.8-137.1 134.9 46.9 -3.3 -61.7 850 415 B G - 0 0 21 -2,-0.4 -7,-0.4 -7,-0.3 2,-0.3 -0.015 63.7-123.7 97.1 157.0 46.1 -4.5 -58.1 851 416 B E + 0 0 24 5,-0.2 2,-0.3 -9,-0.1 -9,-0.2 -0.924 24.0 176.5-132.6 160.2 48.0 -6.6 -55.7 852 417 B Y B +F 841 0K 1 -11,-1.6 -11,-2.5 -2,-0.3 4,-0.1 -0.890 26.4 96.6-152.5-170.7 47.5 -9.8 -53.7 853 418 B H S >> S+ 0 0 8 1,-0.3 3,-0.9 -2,-0.3 4,-0.8 0.103 84.4 1.0 94.7 148.8 48.9 -12.5 -51.3 854 419 B G H >> S- 0 0 3 1,-0.3 3,-1.4 2,-0.2 4,-1.1 -0.016 136.2 -10.4 45.4-142.2 48.4 -12.5 -47.5 855 420 B H H 3> S+ 0 0 69 -18,-0.5 4,-2.3 1,-0.3 -1,-0.3 0.843 132.6 67.7 -51.9 -35.1 46.3 -9.7 -46.0 856 421 B F H <> S+ 0 0 35 -3,-0.9 4,-1.9 -19,-0.3 -1,-0.3 0.846 94.6 55.8 -59.1 -34.9 46.5 -8.0 -49.5 857 422 B S H < S+ 0 0 56 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.826 112.7 52.8 -64.7 -29.7 41.6 -6.4 -49.0 860 425 B T H 3< S+ 0 0 25 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.866 108.7 47.8 -74.8 -37.0 41.6 -7.1 -52.8 861 426 B F T 3< S+ 0 0 0 -4,-2.4 -316,-0.6 -5,-0.1 2,-0.3 0.198 113.4 50.6 -94.4 17.9 38.6 -9.4 -52.7 862 427 B T E < S- S 0 544C 2 -3,-0.7 2,-0.3 -318,-0.2 -320,-0.1 -0.864 74.8-128.0-134.1 175.2 36.5 -7.0 -50.6 863 428 B H E - S 0 543C 2 -320,-2.6 -320,-2.8 -2,-0.3 2,-0.6 -0.908 29.9-105.4-120.6 157.4 35.4 -3.3 -50.7 864 429 B K E - S 0 542C 49 -2,-0.3 2,-0.6 -322,-0.2 -322,-0.2 -0.714 34.1-167.9 -86.3 121.3 35.7 -0.7 -47.9 865 430 B K E - S 0 541C 2 -324,-3.4 -324,-2.4 -2,-0.6 -477,-0.2 -0.915 8.3-149.7-115.9 108.4 32.4 0.1 -46.3 866 431 B S E -qS 388 540C 0 -479,-0.8 -477,-2.3 -2,-0.6 2,-0.4 -0.520 11.4-165.7 -74.5 138.5 32.2 3.1 -44.0 867 432 B V E -qS 389 539C 1 -328,-2.7 -328,-1.9 -2,-0.2 2,-0.5 -0.988 7.1-172.5-128.3 128.1 29.7 3.0 -41.2 868 433 B R E -qS 390 538C 13 -479,-2.2 -477,-1.8 -2,-0.4 2,-0.6 -0.981 6.3-163.4-118.9 125.3 28.6 6.0 -39.1 869 434 B I E -qS 391 537C 10 -332,-2.7 -332,-2.2 -2,-0.5 -477,-0.1 -0.927 1.2-167.1-110.7 112.1 26.3 5.5 -36.1 870 435 B V 0 0 18 -479,-2.8 -334,-0.2 -2,-0.6 -477,-0.1 -0.816 360.0 360.0 -95.0 136.4 24.5 8.5 -34.7 871 436 B P 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -480,-0.0 0.099 360.0 360.0 -62.6 360.0 22.9 7.9 -31.2 872 !* 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 0.0 873 2 C N 0 0 197 0, 0.0 2,-0.2 0, 0.0 170,-0.1 0.000 360.0 360.0 360.0 -93.2 64.3 -31.5 -0.8 874 3 C Y - 0 0 65 1,-0.1 170,-0.1 168,-0.1 168,-0.0 -0.555 360.0 -89.5 -83.2 143.4 64.7 -28.0 -2.3 875 4 C L - 0 0 54 168,-0.3 -1,-0.1 -2,-0.2 167,-0.0 -0.134 48.1-114.3 -41.1 137.5 67.9 -26.8 -4.0 876 5 C S > - 0 0 48 1,-0.1 4,-2.1 -3,-0.1 5,-0.2 -0.371 28.1-104.5 -71.6 160.1 70.3 -25.2 -1.6 877 6 C P H > S+ 0 0 82 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.840 122.4 55.2 -54.0 -32.9 71.1 -21.5 -1.9 878 7 C A H > S+ 0 0 69 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.942 107.6 45.4 -68.6 -48.0 74.4 -22.5 -3.4 879 8 C K H > S+ 0 0 133 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.810 112.3 54.6 -65.7 -29.6 73.0 -24.7 -6.2 880 9 C I H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 3,-0.2 0.962 106.9 48.3 -65.1 -55.1 70.4 -21.9 -6.9 881 10 C D H X S+ 0 0 70 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.871 111.5 53.0 -50.1 -40.3 73.1 -19.2 -7.4 882 11 C S H X S+ 0 0 79 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.872 107.8 49.1 -68.1 -37.5 74.9 -21.7 -9.7 883 12 C L H X S+ 0 0 34 -4,-1.7 4,-1.5 -3,-0.2 -2,-0.2 0.925 112.4 49.5 -62.6 -44.8 71.7 -22.2 -11.7 884 13 C F H X S+ 0 0 14 -4,-2.6 4,-2.1 1,-0.2 3,-0.3 0.916 109.1 50.4 -61.5 -46.8 71.3 -18.4 -12.0 885 14 C S H X S+ 0 0 79 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.854 107.1 55.4 -62.9 -34.3 74.9 -17.8 -13.1 886 15 C A H X S+ 0 0 38 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.846 107.4 49.0 -67.9 -34.7 74.6 -20.5 -15.8 887 16 C Q H X S+ 0 0 0 -4,-1.5 4,-3.0 -3,-0.3 -2,-0.2 0.879 110.2 51.1 -69.8 -41.6 71.5 -18.7 -17.3 888 17 C K H X S+ 0 0 62 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.938 113.4 45.7 -56.4 -48.5 73.4 -15.3 -17.2 889 18 C A H X S+ 0 0 60 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.957 113.3 49.6 -60.8 -50.0 76.2 -17.1 -19.1 890 19 C Y H ><>S+ 0 0 46 -4,-2.7 3,-1.4 1,-0.2 5,-0.8 0.926 109.9 50.1 -54.9 -48.3 73.8 -18.8 -21.5 891 20 C F H ><5S+ 0 0 31 -4,-3.0 3,-2.0 1,-0.3 5,-0.2 0.926 104.7 58.0 -59.7 -42.8 72.0 -15.5 -22.3 892 21 C A H 3<5S+ 0 0 73 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.677 93.2 69.9 -60.0 -18.0 75.4 -13.8 -22.9 893 22 C T T <<5S- 0 0 87 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.716 104.3-129.5 -68.0 -23.2 76.0 -16.5 -25.6 894 23 C R T X 5 + 0 0 101 -3,-2.0 3,-1.8 -4,-0.5 4,-0.4 0.572 63.9 139.6 76.8 15.4 73.3 -14.9 -27.8 895 24 C A T 3 < + 0 0 23 -5,-0.8 3,-0.3 1,-0.3 -4,-0.1 0.802 68.8 49.8 -56.8 -33.8 71.7 -18.3 -28.2 896 25 C T T 3 S+ 0 0 2 -5,-0.2 -1,-0.3 -6,-0.2 6,-0.1 0.388 84.6 98.1 -87.6 1.9 68.2 -16.9 -27.8 897 26 C A < + 0 0 50 -3,-1.8 -1,-0.2 -6,-0.1 -2,-0.1 0.933 65.7 71.7 -59.1 -55.2 68.7 -14.1 -30.3 898 27 C D S > S- 0 0 88 -4,-0.4 4,-1.6 -3,-0.3 3,-0.5 -0.277 76.1-129.3 -78.5 148.7 67.1 -15.6 -33.5 899 28 C V H > S+ 0 0 36 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.869 107.2 59.9 -59.0 -38.1 63.4 -16.1 -34.2 900 29 C G H > S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.880 104.0 48.2 -58.4 -41.6 64.1 -19.8 -35.2 901 30 C F H > S+ 0 0 27 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.900 113.1 50.4 -64.9 -38.9 65.5 -20.7 -31.8 902 31 C R H X S+ 0 0 17 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.931 108.7 49.8 -68.5 -46.7 62.5 -19.0 -30.2 903 32 C K H X S+ 0 0 38 -4,-3.0 4,-2.2 1,-0.2 3,-0.4 0.955 110.7 49.0 -56.5 -50.9 59.9 -20.9 -32.3 904 33 C Q H X S+ 0 0 87 -4,-2.1 4,-1.9 1,-0.3 -1,-0.2 0.831 105.2 59.6 -63.9 -28.8 61.5 -24.3 -31.6 905 34 C S H X S+ 0 0 1 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.3 0.939 107.0 46.7 -59.3 -44.0 61.5 -23.4 -27.9 906 35 C L H X S+ 0 0 0 -4,-1.8 4,-3.3 -3,-0.4 -2,-0.2 0.941 109.2 53.7 -62.8 -47.5 57.7 -23.0 -28.2 907 36 C E H X S+ 0 0 99 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.848 109.1 50.5 -53.7 -36.4 57.3 -26.3 -30.1 908 37 C R H X S+ 0 0 95 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.896 111.1 45.9 -73.6 -37.8 59.3 -28.1 -27.3 909 38 C L H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.973 114.4 49.6 -63.4 -51.4 57.1 -26.7 -24.6 910 39 C K H X S+ 0 0 53 -4,-3.3 4,-2.3 1,-0.2 3,-0.5 0.958 113.4 45.9 -48.7 -61.5 54.0 -27.5 -26.6 911 40 C E H X S+ 0 0 99 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.869 113.0 49.8 -47.7 -46.7 55.3 -31.1 -27.2 912 41 C A H X S+ 0 0 2 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.826 109.4 51.1 -71.2 -31.2 56.2 -31.5 -23.5 913 42 C V H >< S+ 0 0 0 -4,-2.7 3,-1.0 -3,-0.5 -1,-0.2 0.929 109.0 51.0 -67.5 -45.2 52.9 -30.3 -22.2 914 43 C I H >< S+ 0 0 74 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-0.839 360.0 360.0 -95.4 134.7 73.1 8.5 -40.1 1307 436 C P 0 0 87 0, 0.0 -1,-0.1 0, 0.0 373,-0.1 -0.128 360.0 360.0 -59.6 360.0 74.7 7.8 -43.5 1308 !* 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 1309 2 D N 0 0 202 0, 0.0 170,-0.1 0, 0.0 171,-0.0 0.000 360.0 360.0 360.0-151.3 60.7 28.7 1.6 1310 3 D Y - 0 0 74 1,-0.1 170,-0.1 168,-0.1 168,-0.0 -0.158 360.0 -94.6 -64.6 148.4 59.4 25.1 1.0 1311 4 D L - 0 0 73 168,-0.4 -1,-0.1 1,-0.1 167,-0.0 -0.258 41.8-107.9 -59.5 143.8 55.9 24.0 1.7 1312 5 D S > - 0 0 61 1,-0.1 4,-2.0 4,-0.0 3,-0.4 -0.361 27.3-112.9 -65.9 151.6 55.1 22.3 5.0 1313 6 D P H > S+ 0 0 82 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.729 120.3 56.5 -59.5 -20.9 54.5 18.5 4.9 1314 7 D A H > S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.879 106.6 45.5 -76.9 -38.6 50.9 19.4 5.9 1315 8 D K H > S+ 0 0 115 -3,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.772 113.2 52.1 -77.2 -25.3 50.4 21.7 2.9 1316 9 D I H >X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 3,-1.2 0.985 110.7 45.8 -66.5 -62.9 51.9 19.0 0.7 1317 10 D D H 3X S+ 0 0 70 -4,-2.1 4,-2.0 1,-0.3 -2,-0.2 0.884 115.0 50.5 -41.4 -43.8 49.5 16.4 2.1 1318 11 D S H 3X S+ 0 0 66 -4,-2.2 4,-0.9 1,-0.2 -1,-0.3 0.798 109.3 49.4 -71.8 -29.2 46.8 19.0 1.6 1319 12 D L H <>S+ 0 0 45 -4,-2.6 5,-0.8 1,-0.2 3,-0.7 0.925 112.5 47.9 -57.4 -45.6 39.9 16.7 -8.7 1327 20 D F H ><5S+ 0 0 28 -4,-3.5 3,-3.0 1,-0.2 5,-0.2 0.952 103.9 58.0 -59.8 -50.4 40.8 13.5 -10.5 1328 21 D A H 3<5S+ 0 0 72 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.706 94.0 73.6 -53.0 -18.9 37.9 11.6 -9.0 1329 22 D T T <<5S- 0 0 84 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.608 102.7-130.4 -69.2 -16.4 35.8 14.3 -10.6 1330 23 D R T X 5 + 0 0 115 -3,-3.0 3,-1.3 -4,-0.2 4,-0.4 0.687 63.8 138.4 67.5 20.1 36.4 12.9 -14.1 1331 24 D A T 3 < + 0 0 25 -5,-0.8 3,-0.3 1,-0.3 6,-0.1 0.857 67.1 49.1 -62.2 -36.9 37.4 16.4 -15.2 1332 25 D T T 3 S+ 0 0 2 -5,-0.2 -1,-0.3 112,-0.2 6,-0.1 0.384 84.8 99.0 -87.9 3.6 40.3 15.2 -17.3 1333 26 D A < + 0 0 54 -3,-1.3 -1,-0.2 -6,-0.1 -2,-0.1 0.928 63.3 71.8 -63.0 -55.2 38.3 12.5 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-52.2 47.5 24.6 -25.5 1344 37 D R H X S+ 0 0 134 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.858 111.1 52.3 -61.3 -37.8 47.7 26.5 -22.2 1345 38 D L H X S+ 0 0 0 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.895 109.4 50.3 -63.9 -40.8 51.0 24.8 -21.4 1346 39 D K H X S+ 0 0 53 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.877 110.6 49.0 -64.7 -39.1 52.4 25.8 -24.7 1347 40 D E H X S+ 0 0 124 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.872 108.8 52.0 -71.5 -38.6 51.4 29.4 -24.2 1348 41 D A H < S+ 0 0 1 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.816 112.1 48.1 -64.9 -31.9 52.9 29.6 -20.7 1349 42 D V H >< S+ 0 0 0 -4,-1.5 3,-1.6 -5,-0.2 -2,-0.2 0.953 113.5 44.3 -74.9 -51.5 56.2 28.3 -22.2 1350 43 D I H >< S+ 0 0 69 -4,-2.5 3,-1.2 1,-0.3 4,-0.2 0.909 110.7 55.8 -57.3 -45.0 56.3 30.7 -25.1 1351 44 D N T 3< S+ 0 0 115 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.223 113.7 42.6 -71.4 16.5 55.2 33.6 -22.9 1352 45 D N T <> S+ 0 0 9 -3,-1.6 4,-1.4 2,-0.1 -1,-0.2 0.261 71.8 115.4-145.9 10.1 58.3 32.8 -20.6 1353 46 D K H X> S+ 0 0 64 -3,-1.2 4,-2.5 1,-0.2 3,-0.5 0.903 76.3 55.4 -50.7 -48.4 61.2 32.1 -23.0 1354 47 D E H 3> S+ 0 0 135 1,-0.3 4,-2.3 -4,-0.2 -1,-0.2 0.914 106.3 48.2 -57.7 -50.5 63.2 35.1 -21.8 1355 48 D A H 3> S+ 0 0 41 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.779 111.9 53.7 -59.9 -27.9 63.2 34.2 -18.1 1356 49 D L H S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 6,-1.5 0.859 112.8 49.3 -71.2 -37.7 69.4 28.5 -17.6 1361 54 D A H X5S+ 0 0 40 -4,-2.3 4,-0.6 -5,-0.4 -2,-0.2 0.931 117.4 43.9 -61.3 -46.0 72.3 30.8 -18.4 1362 55 D E H <5S+ 0 0 106 -4,-3.5 -2,-0.2 -5,-0.2 -3,-0.2 0.986 120.6 37.7 -60.2 -61.7 72.5 31.5 -14.7 1363 56 D D H <5S+ 0 0 10 -4,-3.9 -3,-0.2 -5,-0.2 -2,-0.2 0.872 142.4 1.3 -63.6 -43.6 72.1 28.0 -13.5 1364 57 D L H <5S- 0 0 1 -4,-2.4 228,-2.6 -5,-0.3 -3,-0.2 0.489 91.9-114.4-129.7 -6.5 74.1 26.1 -16.1 1365 58 D G << + 0 0 23 -5,-1.3 -4,-0.3 -4,-0.6 -3,-0.1 0.860 49.4 177.2 74.2 34.6 75.5 28.7 -18.5 1366 59 D K - 0 0 9 -6,-1.5 -1,-0.2 -9,-0.1 -2,-0.1 -0.614 28.6-122.6 -76.2 126.5 73.4 27.4 -21.4 1367 60 D P > - 0 0 76 0, 0.0 4,-2.2 0, 0.0 3,-0.4 -0.283 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