==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-APR-07 2PNR . COMPND 2 MOLECULE: [PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.G.VASSYLYEV,C.N.STEUSSY,Y.DEVEDJIEV . 1588 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 73702.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1169 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 191 12.0 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.6 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 . 96 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 179 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 616 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 0.8 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 6 3 6 4 0 3 3 1 0 0 0 0 3 3 3 1 4 0 2 6 0 0 2 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 16 4 5 2 2 4 4 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 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 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 13 A P > 0 0 122 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 0.3 24.5 39.8 -23.2 2 14 A K H > + 0 0 177 2,-0.2 4,-1.4 3,-0.2 5,-0.1 0.945 360.0 33.8 -72.0 -47.9 23.7 43.5 -22.4 3 15 A Q H > S+ 0 0 66 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.908 118.9 54.7 -69.5 -41.1 20.0 43.2 -23.4 4 16 A I H > S+ 0 0 15 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.783 107.1 51.1 -60.0 -32.1 20.0 39.6 -22.1 5 17 A E H X S+ 0 0 65 -4,-1.4 4,-0.6 2,-0.2 -1,-0.2 0.852 113.5 45.3 -72.7 -37.6 21.3 41.0 -18.8 6 18 A R H >< S+ 0 0 121 -4,-1.4 3,-0.5 2,-0.2 -2,-0.2 0.944 116.0 42.0 -73.6 -49.9 18.5 43.5 -18.7 7 19 A Y H >< S+ 0 0 14 -4,-3.2 3,-1.9 1,-0.2 -3,-0.2 0.867 109.0 59.4 -67.3 -36.5 15.6 41.3 -19.7 8 20 A S H 3< S+ 0 0 0 -4,-1.5 339,-0.3 -5,-0.3 -1,-0.2 0.787 97.1 63.2 -61.2 -27.7 16.8 38.5 -17.5 9 21 A R T << S+ 0 0 159 -4,-0.6 -1,-0.3 -3,-0.5 2,-0.3 0.402 88.6 88.4 -81.0 3.6 16.5 40.9 -14.6 10 22 A F S < S- 0 0 72 -3,-1.9 337,-0.3 33,-0.1 -3,-0.0 -0.671 83.0-120.8 -94.0 159.8 12.9 41.1 -15.2 11 23 A S - 0 0 80 -2,-0.3 33,-0.1 335,-0.1 335,-0.1 -0.819 24.3-112.8-103.0 138.6 10.6 38.6 -13.5 12 24 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 -0.139 27.0-130.9 -58.3 169.1 8.4 36.2 -15.5 13 25 A S - 0 0 49 27,-0.1 2,-0.1 2,-0.0 31,-0.0 -0.899 19.1-151.1-128.0 102.3 4.6 36.8 -15.2 14 26 A P - 0 0 47 0, 0.0 2,-0.4 0, 0.0 327,-0.1 -0.425 5.8-151.8 -75.2 146.0 2.5 33.7 -14.4 15 27 A L - 0 0 32 -2,-0.1 327,-0.8 325,-0.1 2,-0.1 -0.941 13.2-126.4-119.3 137.3 -1.1 33.4 -15.5 16 28 A S B > -A 341 0A 1 -2,-0.4 4,-1.8 325,-0.2 325,-0.3 -0.403 27.4-115.4 -73.3 157.8 -3.7 31.4 -13.8 17 29 A I H > S+ 0 0 3 323,-1.5 4,-2.3 320,-0.8 321,-0.2 0.916 120.4 58.3 -57.3 -42.2 -5.6 28.9 -15.9 18 30 A K H > S+ 0 0 94 319,-1.2 4,-3.2 1,-0.2 5,-0.3 0.910 103.9 53.1 -51.1 -46.1 -8.7 31.1 -15.2 19 31 A Q H > S+ 0 0 81 318,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.891 106.1 49.4 -61.0 -45.0 -6.8 34.0 -16.8 20 32 A F H X S+ 0 0 14 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.956 117.6 44.0 -57.7 -45.8 -5.9 32.2 -20.0 21 33 A L H X S+ 0 0 9 -4,-2.3 4,-1.2 2,-0.2 5,-0.3 0.964 112.4 46.4 -61.3 -64.3 -9.6 31.2 -20.3 22 34 A D H X>S+ 0 0 54 -4,-3.2 4,-3.1 1,-0.2 5,-1.1 0.810 114.3 54.3 -52.2 -31.3 -11.3 34.5 -19.4 23 35 A F H <>S+ 0 0 51 -4,-1.8 5,-3.0 -5,-0.3 4,-0.3 0.954 112.0 37.9 -71.6 -51.5 -8.8 36.1 -21.8 24 36 A G H <5S+ 0 0 12 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.515 128.0 40.3 -77.2 -2.2 -9.5 34.1 -24.9 25 37 A R H <5S+ 0 0 122 -4,-1.2 -2,-0.2 -5,-0.2 -3,-0.2 0.790 125.8 23.7-111.8 -45.6 -13.1 34.1 -24.0 26 38 A D T <5S+ 0 0 115 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.1 0.920 136.5 20.2 -87.7 -53.8 -14.2 37.5 -22.6 27 39 A N T < + 0 0 92 -5,-1.1 -3,-0.2 -4,-0.3 -4,-0.1 0.981 63.2 175.9 -79.9 -69.8 -11.6 39.8 -24.1 28 40 A A < + 0 0 53 -5,-3.0 2,-0.7 1,-0.2 -4,-0.1 0.747 26.5 158.8 63.7 28.4 -10.1 38.0 -27.2 29 41 A C > - 0 0 40 -6,-0.3 4,-1.8 1,-0.1 3,-0.3 -0.747 34.0-164.6 -90.6 107.8 -8.1 41.3 -27.9 30 42 A E H > S+ 0 0 49 -2,-0.7 4,-1.6 1,-0.2 5,-0.1 0.598 87.0 64.0 -65.6 -11.7 -5.0 40.7 -30.0 31 43 A K H > S+ 0 0 83 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.943 104.7 41.4 -76.8 -51.0 -3.7 44.1 -29.0 32 44 A T H > S+ 0 0 72 -3,-0.3 4,-2.3 1,-0.2 5,-0.2 0.923 114.7 54.6 -60.4 -44.0 -3.3 43.3 -25.3 33 45 A S H X S+ 0 0 13 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.921 110.3 42.8 -58.3 -50.4 -1.9 39.9 -26.2 34 46 A Y H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.880 112.7 56.7 -62.8 -36.2 0.9 41.2 -28.5 35 47 A M H < S+ 0 0 86 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.902 113.3 38.6 -60.2 -43.7 1.5 43.9 -25.8 36 48 A F H >X S+ 0 0 65 -4,-2.3 4,-3.0 1,-0.2 3,-0.6 0.876 117.9 47.9 -75.1 -43.2 2.1 41.3 -23.1 37 49 A L H 3X S+ 0 0 4 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.784 97.5 65.4 -74.3 -31.2 4.0 38.8 -25.2 38 50 A R H 3< S+ 0 0 41 -4,-2.3 -1,-0.2 -5,-0.2 44,-0.2 0.675 120.3 27.8 -67.2 -11.8 6.5 41.1 -26.9 39 51 A K H <> S+ 0 0 109 -3,-0.6 4,-1.3 -4,-0.2 -2,-0.2 0.772 121.2 50.7-107.4 -53.8 7.8 41.6 -23.3 40 52 A E H X S+ 0 0 4 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.846 108.1 51.1 -58.7 -41.5 6.9 38.3 -21.6 41 53 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.965 112.5 43.4 -67.4 -48.4 8.4 35.9 -24.2 42 54 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.698 112.7 57.1 -69.9 -16.4 11.9 37.5 -24.4 43 55 A V H X S+ 0 0 2 -4,-1.3 4,-2.2 2,-0.2 5,-0.3 0.978 107.0 44.4 -72.1 -61.6 11.8 37.8 -20.6 44 56 A R H < S+ 0 0 0 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.817 114.5 53.3 -50.6 -33.6 11.3 34.1 -20.0 45 57 A L H >X S+ 0 0 1 -4,-1.6 4,-2.8 -5,-0.2 3,-0.8 0.927 109.6 45.1 -69.4 -45.4 14.0 33.5 -22.7 46 58 A A H 3X S+ 0 0 0 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.767 109.3 56.6 -69.3 -26.5 16.6 35.8 -21.0 47 59 A N H 3< S+ 0 0 1 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.593 114.8 40.0 -80.9 -9.8 15.8 34.2 -17.6 48 60 A T H X> S+ 0 0 6 -3,-0.8 4,-1.9 -4,-0.4 3,-0.8 0.840 110.0 53.6 -99.2 -52.8 16.6 30.8 -19.1 49 61 A M H 3X S+ 0 0 13 -4,-2.8 4,-0.6 1,-0.3 -3,-0.2 0.734 105.9 60.2 -54.0 -24.3 19.6 31.6 -21.3 50 62 A R H 3< S+ 0 0 62 -4,-0.8 -1,-0.3 -5,-0.2 4,-0.2 0.906 106.6 43.5 -71.9 -43.1 21.1 33.1 -18.2 51 63 A E H X4 S+ 0 0 5 -3,-0.8 3,-4.5 -4,-0.3 -2,-0.2 0.992 108.8 53.3 -68.4 -60.1 21.0 29.9 -16.2 52 64 A V H >< S+ 0 0 6 -4,-1.9 3,-1.2 1,-0.3 -1,-0.2 0.782 102.9 65.6 -43.7 -26.0 22.3 27.5 -18.9 53 65 A N T 3< S+ 0 0 82 -4,-0.6 -1,-0.3 -5,-0.3 -2,-0.2 0.614 95.1 55.9 -72.0 -16.0 25.1 30.0 -19.0 54 66 A L T < S+ 0 0 26 -3,-4.5 -1,-0.3 -4,-0.2 -2,-0.2 0.084 81.1 123.1-106.1 19.7 26.1 29.1 -15.5 55 67 A L S < S- 0 0 11 -3,-1.2 2,-0.1 1,-0.1 300,-0.0 -0.324 78.9 -77.0 -77.1 162.8 26.6 25.3 -16.2 56 68 A P >> - 0 0 32 0, 0.0 4,-2.4 0, 0.0 3,-1.3 -0.441 45.9-117.4 -62.6 136.7 29.9 23.6 -15.5 57 69 A D H 3> S+ 0 0 119 1,-0.3 4,-0.9 2,-0.2 -2,-0.1 0.696 113.5 58.5 -49.5 -26.8 32.4 24.5 -18.3 58 70 A N H 34 S+ 0 0 61 2,-0.2 -1,-0.3 1,-0.1 4,-0.2 0.932 113.2 38.5 -68.4 -44.0 32.6 20.8 -19.5 59 71 A L H X4 S+ 0 0 1 -3,-1.3 3,-2.2 1,-0.2 6,-0.3 0.930 111.6 55.4 -70.9 -50.6 28.9 20.8 -20.1 60 72 A L H 3< S+ 0 0 31 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.759 103.1 62.0 -54.7 -23.5 28.6 24.3 -21.5 61 73 A N T 3< S+ 0 0 112 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.585 72.7 112.2 -82.9 -11.8 31.2 23.2 -24.0 62 74 A R S X> S- 0 0 24 -3,-2.2 3,-2.1 -4,-0.2 4,-1.5 -0.445 74.3-130.1 -63.2 127.7 29.2 20.4 -25.6 63 75 A P H 3> S+ 0 0 92 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.814 108.5 63.0 -49.6 -28.7 28.4 21.5 -29.2 64 76 A S H 3> S+ 0 0 14 1,-0.2 4,-1.4 2,-0.2 53,-0.1 0.805 104.1 46.9 -66.6 -29.6 24.7 20.6 -28.4 65 77 A V H <> S+ 0 0 2 -3,-2.1 4,-2.8 -6,-0.3 -1,-0.2 0.896 110.3 48.0 -79.6 -46.6 24.6 23.3 -25.7 66 78 A G H X S+ 0 0 33 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.832 111.6 55.4 -63.4 -29.2 26.2 26.1 -27.7 67 79 A L H X S+ 0 0 78 -4,-1.6 4,-1.9 -5,-0.3 -1,-0.2 0.938 107.9 46.6 -67.0 -47.8 23.8 25.2 -30.4 68 80 A V H X S+ 0 0 5 -4,-1.4 4,-2.4 1,-0.2 3,-0.5 0.978 109.8 53.6 -56.7 -58.1 20.8 25.5 -28.1 69 81 A Q H X S+ 0 0 45 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.862 107.4 51.5 -44.4 -48.5 22.0 28.9 -26.7 70 82 A S H X S+ 0 0 57 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.900 109.2 49.0 -60.3 -43.6 22.3 30.3 -30.3 71 83 A W H X S+ 0 0 54 -4,-1.9 4,-2.2 -3,-0.5 -1,-0.2 0.909 114.3 46.8 -61.3 -41.8 18.7 29.2 -31.2 72 84 A Y H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.941 112.3 50.6 -62.8 -49.0 17.5 30.8 -28.0 73 85 A M H X S+ 0 0 59 -4,-3.1 4,-2.2 -5,-0.2 -2,-0.2 0.912 110.9 47.4 -54.8 -51.7 19.5 33.9 -28.6 74 86 A Q H X S+ 0 0 88 -4,-2.9 4,-2.9 1,-0.2 3,-0.4 0.970 111.6 48.6 -58.0 -56.7 18.3 34.4 -32.2 75 87 A S H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.3 -1,-0.2 0.884 109.9 57.3 -50.1 -38.6 14.7 33.9 -31.2 76 88 A F H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -1,-0.3 0.918 110.7 40.4 -59.0 -46.9 15.4 36.4 -28.4 77 89 A L H X S+ 0 0 90 -4,-2.2 4,-1.0 -3,-0.4 -2,-0.2 0.855 109.2 56.5 -75.5 -34.7 16.5 39.1 -30.8 78 90 A E H < S+ 0 0 40 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.885 116.2 41.1 -62.5 -33.7 13.9 38.6 -33.5 79 91 A L H >< S+ 0 0 1 -4,-1.6 3,-0.6 -5,-0.3 -2,-0.2 0.889 105.3 62.0 -75.5 -45.3 11.5 39.2 -30.7 80 92 A L H >< S+ 0 0 20 -4,-2.5 3,-1.5 1,-0.3 2,-0.2 0.690 86.3 81.6 -55.4 -17.2 13.4 42.0 -29.1 81 93 A E T 3< S+ 0 0 126 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.1 -0.004 87.9 53.4 -81.7 31.3 12.8 43.8 -32.4 82 94 A Y T < + 0 0 11 -3,-0.6 -1,-0.3 -2,-0.2 -2,-0.2 0.285 62.9 117.8-142.3 -1.3 9.4 44.8 -31.3 83 95 A E S < S+ 0 0 67 -3,-1.5 -2,-0.1 1,-0.2 -3,-0.1 0.762 99.2 16.9 -41.6 -29.3 10.2 46.5 -28.0 84 96 A N S S+ 0 0 144 2,-0.1 -1,-0.2 0, 0.0 2,-0.1 0.536 91.0 116.5-125.6 -12.1 8.7 49.6 -29.6 85 97 A K - 0 0 89 1,-0.1 -3,-0.0 2,-0.1 -4,-0.0 -0.422 66.5-121.5 -61.3 132.6 6.6 48.6 -32.7 86 98 A S > - 0 0 54 -2,-0.1 3,-0.6 1,-0.1 6,-0.2 -0.517 3.2-135.7 -86.2 146.2 3.0 49.5 -32.1 87 99 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -53,-0.1 0.196 86.7 90.5 -77.6 15.1 -0.0 47.2 -32.0 88 100 A E T 3 S+ 0 0 124 1,-0.1 -3,-0.0 -57,-0.0 -57,-0.0 0.932 72.4 61.3 -84.0 -46.2 -2.0 49.7 -34.0 89 101 A D S X> S- 0 0 59 -3,-0.6 3,-1.3 1,-0.1 4,-1.2 -0.699 76.3-140.0 -83.6 131.1 -1.3 48.7 -37.6 90 102 A P H 3> S+ 0 0 101 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.465 100.9 74.0 -65.7 0.3 -2.5 45.1 -38.4 91 103 A Q H 3> S+ 0 0 111 2,-0.2 4,-1.4 3,-0.1 5,-0.1 0.892 98.1 41.7 -77.7 -45.5 0.7 44.9 -40.3 92 104 A V H X> S+ 0 0 5 -3,-1.3 4,-1.9 -6,-0.2 3,-0.9 0.989 117.2 47.0 -62.0 -62.4 2.8 44.7 -37.1 93 105 A L H 3X S+ 0 0 17 -4,-1.2 4,-2.1 1,-0.3 -1,-0.2 0.854 111.1 52.0 -46.2 -46.0 0.4 42.2 -35.4 94 106 A D H 3X S+ 0 0 85 -4,-1.2 4,-1.1 1,-0.2 -1,-0.3 0.853 112.3 46.3 -64.0 -33.6 0.2 40.1 -38.5 95 107 A N H X S+ 0 0 83 -4,-1.8 4,-0.6 -3,-0.5 3,-0.5 0.917 113.1 56.4 -72.0 -48.9 9.6 25.6 -35.0 106 118 A R H 3< S+ 0 0 39 -4,-3.1 3,-0.4 1,-0.3 -2,-0.2 0.882 116.4 37.9 -49.4 -41.8 13.1 26.8 -34.5 107 119 A H H >< S+ 0 0 1 -4,-2.6 3,-2.3 -5,-0.2 4,-0.4 0.596 87.6 99.1 -86.5 -15.9 12.8 25.6 -30.9 108 120 A N H << S+ 0 0 93 -4,-0.7 3,-0.3 -3,-0.5 -1,-0.2 0.810 90.0 41.5 -39.4 -39.9 10.8 22.5 -31.8 109 121 A D T 3X S+ 0 0 66 -4,-0.6 4,-1.1 -3,-0.4 -1,-0.3 -0.183 83.1 101.7-107.7 39.7 14.0 20.5 -31.5 110 122 A V H <> S+ 0 0 0 -3,-2.3 4,-3.0 2,-0.2 5,-0.2 0.889 80.9 51.6 -84.7 -46.5 15.5 22.1 -28.4 111 123 A V H > S+ 0 0 58 -4,-0.4 4,-2.5 -3,-0.3 5,-0.3 0.936 109.8 51.0 -54.3 -50.3 14.6 19.3 -26.0 112 124 A P H > S+ 0 0 80 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.949 114.1 42.6 -53.4 -54.0 16.1 16.7 -28.4 113 125 A T H X S+ 0 0 20 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.876 112.8 54.1 -61.0 -41.2 19.5 18.6 -28.6 114 126 A M H >X S+ 0 0 5 -4,-3.0 4,-1.9 1,-0.2 3,-0.6 0.982 106.5 49.3 -57.6 -60.1 19.5 19.3 -24.9 115 127 A A H 3X S+ 0 0 37 -4,-2.5 4,-1.9 1,-0.3 -1,-0.2 0.818 111.3 53.7 -48.7 -33.3 19.1 15.7 -23.9 116 128 A Q H 3X S+ 0 0 93 -4,-1.4 4,-2.4 -5,-0.3 -1,-0.3 0.901 105.8 50.6 -71.0 -41.8 21.9 15.0 -26.3 117 129 A G H << S+ 0 0 0 -4,-2.2 -2,-0.2 -3,-0.6 -1,-0.2 0.802 111.2 49.2 -67.9 -29.0 24.3 17.5 -24.8 118 130 A V H >X S+ 0 0 23 -4,-1.9 4,-1.9 2,-0.2 3,-1.5 0.952 112.7 44.2 -76.2 -49.3 23.8 16.1 -21.3 119 131 A I H >X S+ 0 0 86 -4,-1.9 4,-1.9 1,-0.3 3,-0.7 0.963 109.0 57.6 -57.2 -51.3 24.3 12.5 -22.1 120 132 A E H 3< S+ 0 0 49 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.589 112.5 44.6 -55.2 -9.2 27.4 13.4 -24.2 121 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114.7 45.3 -57.1 -41.3 22.9 -2.8 19.1 396 33 B L H < S+ 0 0 9 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.884 114.1 48.2 -72.0 -41.4 21.6 -6.4 19.1 397 34 B D H >X>S+ 0 0 36 -4,-2.6 4,-2.6 -5,-0.2 3,-1.6 0.966 109.5 50.6 -65.2 -55.2 25.0 -8.0 18.9 398 35 B F H 3<>S+ 0 0 41 -4,-2.7 5,-2.2 1,-0.3 6,-0.2 0.903 115.9 40.8 -50.8 -49.9 26.6 -6.1 21.7 399 36 B G T 3<5S+ 0 0 7 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.433 118.7 46.7 -83.2 3.5 23.9 -6.8 24.2 400 37 B R T <45S+ 0 0 148 -3,-1.6 -2,-0.2 -4,-0.4 -1,-0.2 0.728 130.3 14.4-109.1 -35.7 23.4 -10.4 23.2 401 38 B D T <5S+ 0 0 126 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.1 0.824 136.8 28.2-103.9 -64.6 27.0 -11.6 23.0 402 39 B N T < + 0 0 61 -5,-0.6 -3,-0.2 -4,-0.2 3,-0.1 0.984 61.5 165.7 -62.4 -83.6 29.2 -9.0 24.9 403 40 B A < + 0 0 45 -5,-2.2 2,-1.0 1,-0.2 -4,-0.1 0.873 19.4 164.7 64.3 37.7 26.8 -7.4 27.4 404 41 B C > - 0 0 37 -6,-0.2 4,-2.2 1,-0.2 3,-0.3 -0.774 27.4-165.6 -91.2 102.8 29.8 -5.9 29.1 405 42 B E H > S+ 0 0 48 -2,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.818 88.4 58.6 -55.6 -33.7 28.6 -3.1 31.4 406 43 B K H > S+ 0 0 94 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.937 108.7 44.0 -61.4 -47.3 32.2 -1.8 31.7 407 44 B T H > S+ 0 0 64 -3,-0.3 4,-2.4 2,-0.2 3,-0.3 0.979 110.1 53.1 -61.6 -59.1 32.5 -1.3 27.9 408 45 B S H X S+ 0 0 12 -4,-2.2 4,-3.2 1,-0.3 5,-0.3 0.875 108.3 54.1 -43.5 -43.3 29.0 0.3 27.5 409 46 B Y H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.950 108.3 48.0 -55.0 -52.8 30.1 2.7 30.3 410 47 B M H < S+ 0 0 72 -4,-1.9 4,-0.4 -3,-0.3 -1,-0.2 0.863 116.0 44.8 -57.8 -38.7 33.2 3.6 28.3 411 48 B F H >X S+ 0 0 43 -4,-2.4 4,-2.7 1,-0.2 3,-1.3 0.975 114.8 44.5 -71.0 -57.0 31.1 4.1 25.2 412 49 B L H 3X S+ 0 0 4 -4,-3.2 4,-1.8 1,-0.3 -2,-0.2 0.768 103.7 63.9 -60.1 -31.8 28.3 6.1 26.6 413 50 B R H 3< S+ 0 0 18 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.689 116.9 29.3 -71.0 -15.6 30.4 8.4 28.7 414 51 B K H <> S+ 0 0 51 -3,-1.3 4,-1.0 -4,-0.4 -2,-0.2 0.799 121.1 49.1-106.2 -47.0 32.0 9.8 25.6 415 52 B E H X S+ 0 0 4 -4,-2.7 4,-2.8 2,-0.2 3,-0.4 0.912 107.5 53.5 -62.8 -47.5 29.2 9.5 23.0 416 53 B L H X S+ 0 0 3 -4,-1.8 4,-2.9 1,-0.3 5,-0.3 0.969 109.7 45.7 -58.2 -54.3 26.5 11.0 25.0 417 54 B P H > S+ 0 0 0 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.772 112.4 55.4 -62.0 -18.6 28.3 14.2 25.8 418 55 B V H X S+ 0 0 0 -4,-1.0 4,-2.0 -3,-0.4 -2,-0.2 0.934 110.0 43.4 -73.5 -46.9 29.3 14.3 22.1 419 56 B R H X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.877 114.2 52.5 -63.9 -35.5 25.7 14.1 21.0 420 57 B L H X S+ 0 0 9 -4,-2.9 4,-1.3 -5,-0.3 -1,-0.2 0.800 106.8 53.3 -71.2 -27.9 24.8 16.6 23.7 421 58 B A H X S+ 0 0 0 -4,-1.2 4,-1.7 -5,-0.3 3,-0.3 0.976 106.0 50.9 -69.2 -53.9 27.4 19.0 22.4 422 59 B N H X S+ 0 0 1 -4,-2.0 4,-1.1 -40,-0.3 -2,-0.2 0.773 111.5 47.5 -56.8 -31.7 26.2 19.0 18.8 423 60 B T H X S+ 0 0 5 -4,-1.3 4,-2.5 1,-0.2 -1,-0.3 0.856 109.6 55.2 -77.4 -32.5 22.6 19.8 19.8 424 61 B M H X S+ 0 0 11 -4,-1.3 4,-1.2 -3,-0.3 -2,-0.2 0.775 102.9 54.6 -70.7 -29.3 23.8 22.6 22.1 425 62 B R H < S+ 0 0 57 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.943 111.6 44.7 -68.3 -47.6 25.7 24.4 19.4 426 63 B E H >< S+ 0 0 3 -4,-1.1 3,-2.7 1,-0.2 -2,-0.2 0.933 108.2 55.4 -63.5 -47.3 22.7 24.6 17.2 427 64 B V H >< S+ 0 0 5 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.868 106.6 54.1 -54.4 -32.4 20.3 25.6 20.0 428 65 B N T 3< S+ 0 0 92 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.465 98.2 62.6 -81.3 -2.1 22.8 28.5 20.6 429 66 B L T < S+ 0 0 23 -3,-2.7 -1,-0.3 -4,-0.1 -2,-0.2 0.230 79.6 121.6-102.3 12.0 22.5 29.5 16.9 430 67 B L S < S- 0 0 14 -3,-1.2 5,-0.2 -4,-0.2 4,-0.1 -0.541 81.3 -93.0 -76.7 136.7 18.8 30.2 17.5 431 68 B P >> - 0 0 62 0, 0.0 3,-2.7 0, 0.0 4,-1.3 -0.321 40.3-124.1 -53.1 122.9 17.6 33.8 16.8 432 69 B D H 3> S+ 0 0 109 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.704 105.3 69.3 -44.0 -37.8 17.8 35.5 20.2 433 70 B N H 34 S+ 0 0 78 1,-0.2 -1,-0.3 2,-0.2 4,-0.3 0.632 114.0 34.5 -62.4 -6.0 14.2 36.6 20.4 434 71 B L H <4 S+ 0 0 9 -3,-2.7 3,-0.4 2,-0.2 6,-0.2 0.730 113.3 52.9-109.5 -46.1 13.6 32.9 20.8 435 72 B L H < S+ 0 0 25 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.2 0.833 105.6 65.6 -56.6 -28.9 16.7 31.8 22.7 436 73 B N S < S+ 0 0 89 -4,-2.9 -1,-0.2 -5,-0.3 5,-0.2 0.916 79.0 107.4 -51.0 -58.7 15.4 34.6 24.9 437 74 B R S > S- 0 0 43 -3,-0.4 4,-2.0 -4,-0.3 5,-0.1 0.253 75.8-121.9 -32.9 144.2 12.2 32.8 25.9 438 75 B P H > S+ 0 0 90 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.926 110.4 48.5 -55.1 -56.5 11.6 31.4 29.4 439 76 B S H > S+ 0 0 20 1,-0.2 4,-1.1 2,-0.2 53,-0.1 0.830 111.6 51.9 -58.9 -35.0 11.0 27.8 28.4 440 77 B V H > S+ 0 0 0 -6,-0.2 4,-2.6 2,-0.2 5,-0.2 0.879 103.8 54.3 -73.2 -39.2 14.1 27.9 26.2 441 78 B G H X S+ 0 0 32 -4,-2.0 4,-2.1 1,-0.2 5,-0.3 0.982 105.8 56.0 -53.9 -50.8 16.4 29.1 28.9 442 79 B L H X S+ 0 0 76 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.818 110.6 44.5 -45.0 -42.9 15.2 26.2 30.9 443 80 B V H X S+ 0 0 4 -4,-1.1 4,-2.4 -3,-0.2 5,-0.3 0.934 107.0 55.4 -73.4 -49.6 16.3 23.8 28.2 444 81 B Q H X S+ 0 0 59 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.833 113.5 43.3 -56.3 -35.4 19.7 25.3 27.3 445 82 B S H X S+ 0 0 54 -4,-2.1 4,-3.2 -5,-0.2 -1,-0.2 0.932 109.0 57.9 -73.5 -47.1 20.7 24.9 30.9 446 83 B W H X S+ 0 0 76 -4,-1.7 4,-2.0 -5,-0.3 -2,-0.2 0.864 109.3 44.5 -49.5 -45.0 19.2 21.5 31.2 447 84 B Y H X S+ 0 0 3 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.920 112.8 52.0 -66.5 -43.2 21.4 20.2 28.4 448 85 B M H X S+ 0 0 76 -4,-1.4 4,-2.3 -5,-0.3 -2,-0.2 0.913 107.5 53.6 -54.8 -46.6 24.3 22.0 29.9 449 86 B Q H X S+ 0 0 84 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.913 111.9 43.0 -53.9 -52.5 23.5 20.3 33.2 450 87 B S H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.888 109.4 58.0 -64.0 -43.9 23.6 16.8 31.6 451 88 B F H X S+ 0 0 1 -4,-2.9 4,-0.6 2,-0.2 -2,-0.2 0.919 113.9 38.1 -54.5 -46.9 26.6 17.6 29.6 452 89 B L H >X S+ 0 0 90 -4,-2.3 3,-2.0 2,-0.2 4,-1.0 0.973 111.8 54.8 -70.1 -58.0 28.6 18.4 32.8 453 90 B E H >< S+ 0 0 37 -4,-2.6 3,-0.5 1,-0.3 -1,-0.2 0.834 112.7 46.5 -44.0 -38.8 27.2 15.7 35.1 454 91 B L H >< S+ 0 0 1 -4,-2.1 3,-0.8 1,-0.2 -1,-0.3 0.693 103.7 63.0 -81.2 -17.7 28.2 13.1 32.4 455 92 B L H X< S+ 0 0 11 -3,-2.0 3,-1.8 -4,-0.6 4,-0.2 0.619 81.7 77.0 -84.0 -11.2 31.7 14.7 32.0 456 93 B E T << S+ 0 0 110 -4,-1.0 3,-0.4 -3,-0.5 -1,-0.2 0.690 90.8 58.5 -70.7 -13.4 32.8 13.9 35.5 457 94 B Y T X S+ 0 0 18 -3,-0.8 3,-0.9 1,-0.2 -1,-0.3 0.158 71.9 115.2 -96.8 16.9 33.3 10.4 34.4 458 95 B E T < S+ 0 0 52 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.941 98.2 4.1 -49.1 -53.4 35.7 11.7 31.8 459 96 B N T 3 S+ 0 0 141 -3,-0.4 2,-0.3 -4,-0.2 -1,-0.3 -0.332 95.7 129.2-135.5 55.3 38.4 9.8 33.4 460 97 B K < - 0 0 89 -3,-0.9 -3,-0.0 7,-0.0 3,-0.0 -0.775 60.8-108.0-102.3 153.8 36.9 7.8 36.3 461 98 B S > - 0 0 67 -2,-0.3 3,-1.2 1,-0.1 6,-0.3 -0.728 11.8-154.9 -93.5 123.8 37.7 4.1 36.6 462 99 B P T 3 S+ 0 0 20 0, 0.0 6,-0.3 0, 0.0 -1,-0.1 0.716 83.0 88.5 -62.0 -18.1 35.0 1.5 35.7 463 100 B E T 3 S+ 0 0 130 1,-0.1 3,-0.0 4,-0.1 -57,-0.0 0.847 73.9 68.1 -50.4 -44.1 36.9 -0.8 38.0 464 101 B D S X> S- 0 0 85 -3,-1.2 3,-2.2 1,-0.2 4,-0.9 -0.728 80.3-144.9 -83.9 113.8 35.1 0.3 41.1 465 102 B P H 3> S+ 0 0 85 0, 0.0 4,-1.7 0, 0.0 3,-0.2 0.790 95.5 69.5 -44.6 -32.8 31.5 -1.0 40.8 466 103 B Q H 3> S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.863 92.2 56.3 -59.9 -36.1 30.4 2.2 42.5 467 104 B V H <> S+ 0 0 21 -3,-2.2 4,-2.9 -6,-0.3 -1,-0.2 0.939 108.5 48.2 -58.5 -45.5 31.3 4.3 39.6 468 105 B L H X S+ 0 0 16 -4,-0.9 4,-2.0 -6,-0.3 -1,-0.2 0.823 109.2 52.9 -63.8 -33.7 29.1 2.2 37.4 469 106 B D H X S+ 0 0 91 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.902 113.7 42.2 -70.7 -40.4 26.1 2.4 39.9 470 107 B N H >X S+ 0 0 59 -4,-2.2 4,-2.4 2,-0.2 3,-0.7 0.932 112.5 53.0 -69.7 -47.5 26.3 6.2 40.0 471 108 B F H 3X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.3 -2,-0.2 0.900 107.5 53.1 -53.4 -41.0 26.8 6.4 36.3 472 109 B L H 3X S+ 0 0 30 -4,-2.0 4,-1.4 1,-0.2 -1,-0.3 0.789 109.4 49.2 -65.1 -27.9 23.7 4.3 35.9 473 110 B Q H < S+ 0 0 90 -4,-0.9 3,-1.4 -5,-0.2 -1,-0.2 0.851 109.3 59.4 -82.9 -36.2 14.1 12.0 32.5 481 118 B R H 3< S+ 0 0 33 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.880 114.4 38.0 -58.1 -35.6 15.4 15.5 32.1 482 119 B H T 3< S+ 0 0 7 -4,-2.1 -1,-0.3 -5,-0.1 37,-0.2 -0.110 82.4 134.7-112.1 35.8 15.1 15.1 28.3 483 120 B N < - 0 0 42 -3,-1.4 3,-0.1 1,-0.1 -3,-0.1 -0.450 48.7-146.2 -75.8 155.3 11.8 13.2 28.0 484 121 B D S S+ 0 0 44 1,-0.1 -1,-0.1 -2,-0.1 -4,-0.0 0.382 84.7 85.7-108.5 7.9 9.4 14.5 25.4 485 122 B V S S+ 0 0 135 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.843 91.3 53.9 -69.0 -34.5 6.2 13.6 27.4 486 123 B V S S- 0 0 87 -3,-0.1 2,-0.6 0, 0.0 -1,-0.3 -0.800 91.7-148.3-102.0 86.7 6.7 17.0 29.1 487 124 B P + 0 0 81 0, 0.0 4,-0.3 0, 0.0 -3,-0.1 -0.389 39.3 146.5 -60.8 103.9 6.9 19.5 26.0 488 125 B T S > S+ 0 0 17 -2,-0.6 4,-1.8 2,-0.1 5,-0.2 0.837 70.7 44.9-101.8 -58.5 9.2 22.3 27.0 489 126 B M H > S+ 0 0 3 1,-0.2 4,-1.0 2,-0.2 3,-0.3 0.906 113.2 53.0 -50.4 -48.8 11.0 23.2 23.9 490 127 B A H >4 S+ 0 0 35 1,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.947 109.1 47.8 -55.6 -51.7 7.7 23.1 21.9 491 128 B Q H >> S+ 0 0 88 -4,-0.3 4,-1.4 1,-0.3 3,-1.2 0.753 103.0 63.7 -62.5 -24.0 6.0 25.5 24.4 492 129 B G H 3< S+ 0 0 0 -4,-1.8 4,-0.3 -3,-0.3 -1,-0.3 0.805 100.8 52.1 -68.1 -26.0 9.0 27.7 24.1 493 130 B V T << S+ 0 0 42 -3,-1.5 -1,-0.3 -4,-1.0 -2,-0.2 0.354 104.1 59.0 -87.8 0.3 8.1 28.1 20.4 494 131 B I T X4 S+ 0 0 75 -3,-1.2 3,-2.2 -4,-0.2 -2,-0.2 0.778 91.1 63.7 -95.4 -38.8 4.6 29.1 21.5 495 132 B E G >< S+ 0 0 22 -4,-1.4 3,-1.9 1,-0.3 -2,-0.2 0.785 85.2 79.3 -55.2 -23.8 5.6 32.1 23.6 496 133 B Y G 3 + 0 0 73 1,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.371 61.0 96.9 -66.0 7.1 6.7 33.2 20.1 497 134 B K G < S+ 0 0 162 -3,-2.2 2,-0.5 0, 0.0 -1,-0.3 0.612 73.1 76.3 -69.2 -14.2 3.0 34.0 19.8 498 135 B E < 0 0 97 -3,-1.9 0, 0.0 1,-0.2 0, 0.0 -0.894 360.0 360.0 -96.9 130.4 4.4 37.3 20.7 499 136 B K 0 0 146 -2,-0.5 -1,-0.2 0, 0.0 -66,-0.0 0.869 360.0 360.0 89.5 360.0 6.1 38.9 17.7 500 ! 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 0.0 501 144 B S 0 0 148 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 63.6 10.4 31.7 8.4 502 145 B T + 0 0 91 1,-0.1 4,-0.2 3,-0.1 155,-0.0 0.915 360.0 132.8 47.5 54.2 10.2 28.1 9.7 503 146 B N > + 0 0 53 2,-0.1 4,-1.2 1,-0.1 -1,-0.1 0.298 67.9 77.6 -97.0 -3.4 13.9 27.5 9.7 504 147 B I H > S+ 0 0 45 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0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -19.1 73.0 84.4 -54.0 1180 15 F Q H > + 0 0 86 2,-0.2 4,-2.1 1,-0.1 5,-0.2 0.943 360.0 48.2 -66.7 -48.5 69.6 83.4 -55.1 1181 16 F I H > S+ 0 0 42 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.930 108.1 53.2 -53.6 -55.3 69.9 80.3 -53.0 1182 17 F E H > S+ 0 0 79 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.867 109.5 50.5 -50.4 -41.9 71.1 82.3 -50.0 1183 18 F R H < S+ 0 0 111 -4,-1.5 4,-0.4 1,-0.2 -1,-0.3 0.892 115.0 41.8 -65.8 -41.9 68.0 84.4 -50.4 1184 19 F Y H < S+ 0 0 5 -4,-2.1 3,-0.4 1,-0.2 40,-0.3 0.763 109.7 57.1 -78.6 -28.1 65.7 81.5 -50.5 1185 20 F S H < S+ 0 0 2 -4,-3.2 322,-0.3 1,-0.2 -1,-0.2 0.772 98.7 59.7 -76.5 -23.2 67.3 79.5 -47.8 1186 21 F R S < S+ 0 0 147 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.681 88.1 92.5 -77.6 -16.0 66.9 82.4 -45.2 1187 22 F F S S- 0 0 28 -3,-0.4 320,-0.3 -4,-0.4 344,-0.2 -0.435 85.3-118.8 -69.9 149.6 63.2 82.1 -45.7 1188 23 F S - 0 0 19 342,-2.6 33,-0.1 -2,-0.1 -2,-0.1 -0.831 27.5-110.3 -98.9 126.4 61.5 79.8 -43.3 1189 24 F P - 0 0 3 0, 0.0 315,-0.1 0, 0.0 -1,-0.1 -0.090 33.5-126.4 -45.2 150.1 59.6 76.8 -44.7 1190 25 F S - 0 0 3 27,-0.1 2,-0.1 -23,-0.1 374,-0.1 -0.918 17.6-142.8-112.0 116.2 55.9 77.2 -44.4 1191 26 F P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 -21,-0.2 -0.450 14.4-164.3 -73.6 143.1 53.9 74.3 -42.7 1192 27 F L - 0 0 16 -2,-0.1 310,-2.3 -23,-0.1 2,-0.2 -0.961 9.9-137.1-128.6 145.2 50.5 73.3 -43.9 1193 28 F S B > -G 1501 0V 4 -2,-0.4 4,-2.4 308,-0.3 308,-0.2 -0.570 25.4-115.6 -97.6 163.4 47.9 71.2 -42.1 1194 29 F I H > S+ 0 0 0 306,-1.9 4,-2.3 303,-0.6 5,-0.2 0.808 119.4 56.4 -66.7 -24.1 45.7 68.5 -43.6 1195 30 F K H > S+ 0 0 83 302,-1.3 4,-3.2 2,-0.2 5,-0.2 0.933 106.4 46.8 -72.2 -43.7 42.8 70.8 -42.8 1196 31 F Q H > S+ 0 0 17 301,-0.3 4,-3.1 2,-0.2 5,-0.2 0.965 113.3 49.4 -60.9 -49.1 44.3 73.7 -44.8 1197 32 F F H X S+ 0 0 18 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.929 114.9 44.7 -53.4 -48.7 45.0 71.4 -47.7 1198 33 F L H X S+ 0 0 8 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.927 114.3 48.4 -65.2 -45.1 41.4 70.0 -47.6 1199 34 F D H >X>S+ 0 0 33 -4,-3.2 4,-2.0 2,-0.2 3,-1.1 0.967 112.9 48.6 -59.0 -52.9 39.8 73.4 -47.2 1200 35 F F H 3<>S+ 0 0 36 -4,-3.1 5,-1.6 1,-0.3 3,-0.3 0.945 115.4 40.4 -53.2 -57.7 41.8 74.9 -50.0 1201 36 F G H 3<5S+ 0 0 7 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.471 120.5 44.3 -76.9 2.0 41.2 72.2 -52.6 1202 37 F R H <<5S+ 0 0 142 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.602 131.3 16.1-116.5 -19.5 37.5 71.7 -51.7 1203 38 F D T <5S+ 0 0 126 -4,-2.0 -3,-0.2 -3,-0.3 -2,-0.1 0.699 135.8 29.2-113.6 -66.8 36.4 75.3 -51.4 1204 39 F N T < + 0 0 54 -5,-0.7 -3,-0.2 -4,-0.3 3,-0.1 0.987 61.9 162.7 -59.6 -84.5 39.0 77.5 -53.1 1205 40 F A < + 0 0 49 -5,-1.6 2,-1.0 1,-0.2 -4,-0.1 0.890 19.0 162.8 61.0 39.8 40.5 75.3 -55.8 1206 41 F C >> - 0 0 44 1,-0.2 4,-1.9 -6,-0.1 3,-1.5 -0.777 29.9-161.4 -95.2 95.9 41.9 78.4 -57.5 1207 42 F E H 3> S+ 0 0 55 -2,-1.0 4,-1.7 1,-0.3 -1,-0.2 0.734 91.0 57.8 -47.1 -28.0 44.6 77.2 -59.9 1208 43 F K H 3> S+ 0 0 100 2,-0.2 4,-1.7 3,-0.1 -1,-0.3 0.867 107.3 45.4 -72.7 -38.2 46.0 80.8 -59.9 1209 44 F T H <> S+ 0 0 62 -3,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.959 110.8 51.8 -68.8 -53.4 46.5 80.9 -56.1 1210 45 F S H X S+ 0 0 11 -4,-1.9 4,-3.3 1,-0.2 5,-0.3 0.927 109.4 51.8 -47.3 -51.7 48.2 77.4 -56.0 1211 46 F Y H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.919 109.8 48.9 -50.6 -50.9 50.6 78.6 -58.8 1212 47 F M H X S+ 0 0 78 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.898 115.9 44.2 -57.2 -44.1 51.5 81.7 -56.8 1213 48 F F H >X S+ 0 0 44 -4,-2.6 4,-3.1 1,-0.2 3,-0.8 0.950 114.7 44.9 -68.1 -53.8 52.0 79.6 -53.6 1214 49 F L H 3X S+ 0 0 5 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.824 104.8 61.7 -64.7 -32.8 54.0 76.8 -55.1 1215 50 F R H 3< S+ 0 0 24 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.772 118.1 30.1 -66.7 -24.0 56.3 79.0 -57.2 1216 51 F K H S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.824 109.9 57.2 -68.4 -22.4 62.1 76.9 -54.2 1220 55 F V H X S+ 0 0 0 -4,-1.0 4,-2.5 -3,-0.2 -2,-0.2 0.964 109.9 41.2 -67.1 -52.8 62.2 77.8 -50.4 1221 56 F R H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.890 115.2 52.7 -63.1 -38.4 62.1 74.2 -49.3 1222 57 F L H X S+ 0 0 6 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.894 109.3 49.6 -65.8 -36.5 64.6 73.3 -52.1 1223 58 F A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.948 107.8 52.0 -67.1 -48.0 67.0 76.0 -50.9 1224 59 F N H X S+ 0 0 1 -4,-2.5 4,-1.1 -40,-0.3 -1,-0.2 0.889 112.5 46.5 -57.4 -39.2 66.9 75.0 -47.3 1225 60 F T H >X S+ 0 0 6 -4,-1.9 4,-2.0 1,-0.2 3,-0.6 0.944 108.1 56.9 -67.4 -44.4 67.7 71.4 -48.3 1226 61 F M H 3X S+ 0 0 11 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.861 101.2 56.2 -53.4 -40.9 70.5 72.5 -50.6 1227 62 F R H 3< S+ 0 0 56 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.897 109.8 45.8 -61.2 -38.8 72.3 74.4 -47.8 1228 63 F E H X< S+ 0 0 5 -4,-1.1 3,-0.7 -3,-0.6 -1,-0.2 0.820 108.9 53.5 -76.3 -30.4 72.5 71.2 -45.8 1229 64 F V H >< S+ 0 0 3 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.750 108.7 52.7 -73.6 -19.7 73.6 69.1 -48.7 1230 65 F N T 3< S+ 0 0 95 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.559 100.4 61.3 -88.8 -9.1 76.3 71.6 -49.1 1231 66 F L T < S+ 0 0 22 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.2 0.267 79.6 119.4 -97.9 9.8 77.3 71.3 -45.4 1232 67 F L S < S- 0 0 14 -3,-0.6 2,-0.2 1,-0.1 5,-0.1 -0.431 81.6 -92.8 -74.8 146.3 78.2 67.6 -45.9 1233 68 F P >> - 0 0 65 0, 0.0 3,-1.9 0, 0.0 4,-1.3 -0.471 42.7-122.4 -61.1 131.1 81.8 66.5 -45.2 1234 69 F D H 3> S+ 0 0 107 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.713 103.4 69.2 -51.9 -36.6 83.5 66.7 -48.6 1235 70 F N H 34 S+ 0 0 82 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.639 113.3 37.3 -62.5 -5.0 84.7 63.1 -49.1 1236 71 F L H X4 S+ 0 0 8 -3,-1.9 3,-1.2 2,-0.2 6,-0.3 0.764 111.4 52.7-106.6 -49.5 81.0 62.4 -49.5 1237 72 F L H 3< S+ 0 0 22 -4,-1.3 -2,-0.2 1,-0.3 -3,-0.2 0.832 105.4 63.8 -56.3 -26.9 79.7 65.5 -51.3 1238 73 F N T 3< S+ 0 0 95 -4,-2.6 -1,-0.3 -5,-0.2 5,-0.2 0.877 79.4 113.0 -59.7 -43.0 82.5 64.4 -53.6 1239 74 F R S <> S- 0 0 45 -3,-1.2 4,-2.2 -5,-0.2 5,-0.2 0.127 74.8-125.0 -38.2 138.7 80.8 61.1 -54.4 1240 75 F P H >> S+ 0 0 87 0, 0.0 4,-2.1 0, 0.0 3,-0.8 0.971 110.6 48.7 -50.8 -62.6 79.5 60.6 -57.9 1241 76 F S H 3> S+ 0 0 21 1,-0.3 4,-1.6 2,-0.2 53,-0.1 0.853 112.7 49.5 -46.3 -43.8 75.9 59.9 -56.9 1242 77 F V H 3> S+ 0 0 0 -6,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.842 104.9 57.1 -68.9 -33.3 75.9 63.0 -54.7 1243 78 F G H X S+ 0 0 94 -4,-2.7 3,-2.5 -3,-0.2 4,-1.0 0.972 112.0 54.5 -73.6 -56.2 66.3 77.3 -61.2 1255 90 F E H >< S+ 0 0 30 -4,-3.0 3,-0.9 1,-0.3 4,-0.3 0.885 110.0 48.7 -42.8 -48.3 63.5 76.0 -63.4 1256 91 F L G >< S+ 0 0 1 -4,-2.4 3,-0.5 1,-0.2 -1,-0.3 0.656 102.4 64.5 -72.4 -12.3 61.0 76.9 -60.8 1257 92 F L G X4 S+ 0 0 15 -3,-2.5 3,-2.6 -4,-0.3 -1,-0.2 0.728 79.5 78.2 -84.8 -18.4 62.4 80.4 -60.5 1258 93 F E G << S+ 0 0 109 -4,-1.0 3,-0.5 -3,-0.9 -1,-0.2 0.807 91.2 57.5 -58.5 -24.0 61.6 81.5 -64.0 1259 94 F Y G X S+ 0 0 20 -3,-0.5 3,-0.8 -4,-0.3 -1,-0.3 0.236 72.2 117.0 -91.3 16.6 58.1 82.0 -62.8 1260 95 F E T < S+ 0 0 50 -3,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.912 98.2 1.1 -48.5 -53.9 59.4 84.4 -60.2 1261 96 F N T 3 S+ 0 0 144 -3,-0.5 2,-0.3 -4,-0.2 -1,-0.3 -0.203 97.6 128.0-136.1 49.1 57.4 87.2 -61.6 1262 97 F K < - 0 0 89 -3,-0.8 -3,-0.0 7,-0.0 3,-0.0 -0.744 61.9-108.2 -97.5 148.9 55.5 85.7 -64.6 1263 98 F S > - 0 0 66 -2,-0.3 3,-1.0 1,-0.1 6,-0.3 -0.698 12.1-154.7 -91.2 125.9 51.7 86.3 -64.8 1264 99 F P T 3 S+ 0 0 18 0, 0.0 6,-0.3 0, 0.0 -1,-0.1 0.718 82.9 88.8 -62.6 -21.1 49.3 83.5 -64.1 1265 100 F E T 3 S+ 0 0 138 4,-0.1 3,-0.0 3,-0.1 -57,-0.0 0.877 72.9 72.7 -45.8 -48.9 46.8 85.4 -66.3 1266 101 F D S X> S- 0 0 85 -3,-1.0 4,-1.1 1,-0.2 3,-0.6 -0.567 79.4-145.4 -71.4 127.3 48.1 83.7 -69.4 1267 102 F P H 3> S+ 0 0 85 0, 0.0 4,-1.3 0, 0.0 5,-0.2 0.884 95.2 67.5 -59.3 -35.9 46.8 80.1 -69.3 1268 103 F Q H >> S+ 0 0 95 1,-0.2 4,-2.4 2,-0.2 3,-0.5 0.868 94.8 54.2 -52.6 -44.9 50.0 79.0 -71.0 1269 104 F V H <> S+ 0 0 15 -3,-0.6 4,-3.3 -6,-0.3 5,-0.3 0.968 107.2 52.2 -51.2 -55.6 52.1 79.9 -67.9 1270 105 F L H 3X S+ 0 0 18 -4,-1.1 4,-1.4 -6,-0.3 -1,-0.2 0.736 110.2 48.0 -53.2 -30.8 49.9 77.6 -65.9 1271 106 F D H < S+ 0 0 92 -4,-1.2 3,-1.1 1,-0.2 -1,-0.2 0.792 109.5 58.8 -80.4 -29.8 60.1 62.7 -61.1 1283 118 F R H 3< S+ 0 0 36 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.863 114.3 40.4 -65.6 -30.5 63.6 64.1 -60.6 1284 119 F H T 3< S+ 0 0 8 -4,-1.8 -1,-0.3 -5,-0.1 2,-0.2 -0.180 81.9 131.9-113.1 38.8 63.0 63.7 -56.9 1285 120 F N < - 0 0 45 -3,-1.1 3,-0.1 1,-0.1 -3,-0.1 -0.540 49.1-147.8 -82.1 155.9 61.2 60.4 -56.6 1286 121 F D S S+ 0 0 44 -2,-0.2 -1,-0.1 1,-0.1 -4,-0.0 0.358 84.5 86.0-107.9 5.5 62.5 58.0 -54.0 1287 122 F V S S+ 0 0 136 1,-0.3 -1,-0.1 2,-0.0 -2,-0.0 0.865 92.0 53.8 -66.9 -34.7 61.7 54.9 -56.0 1288 123 F V S S- 0 0 86 -3,-0.1 2,-1.2 0, 0.0 -1,-0.3 -0.853 91.0-148.5-102.0 93.4 65.1 55.5 -57.6 1289 124 F P > + 0 0 80 0, 0.0 4,-0.6 0, 0.0 -3,-0.1 -0.469 38.3 148.8 -65.9 88.7 67.5 55.7 -54.6 1290 125 F T H > S+ 0 0 19 -2,-1.2 4,-1.6 2,-0.1 3,-0.4 0.947 71.1 44.6 -82.3 -68.2 70.3 58.1 -55.7 1291 126 F M H > S+ 0 0 3 1,-0.2 4,-0.8 2,-0.2 3,-0.2 0.824 113.1 51.1 -42.0 -49.4 71.2 59.8 -52.4 1292 127 F A H >4 S+ 0 0 34 1,-0.2 3,-1.4 2,-0.2 4,-0.5 0.947 108.2 51.8 -61.7 -45.5 71.3 56.5 -50.5 1293 128 F Q H >X S+ 0 0 86 -4,-0.6 4,-1.2 -3,-0.4 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