==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 17-AUG-06 2I37 . COMPND 2 MOLECULE: RHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR D.T.LODOWSKI,R.E.STENKAMP,D.SALOM,I.LE TRONG,K.PALCZEWSKI . 954 10 3 1 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49718.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 635 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 38 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 438 45.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.5 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 3 3 0 1 0 6 5 12 2 0 4 0 3 0 0 0 1 0 0 0 0 0 0 0 3 0 1 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 193 0, 0.0 2,-2.0 0, 0.0 15,-0.3 0.000 360.0 360.0 360.0 111.9 5.4 2.2 75.3 2 2 A N - 0 0 81 270,-0.4 2,-0.3 12,-0.1 273,-0.2 -0.542 360.0 -1.7 -79.7 76.1 4.3 5.6 76.7 3 3 A G S S- 0 0 6 -2,-2.0 12,-0.7 9,-0.2 2,-0.3 -0.965 82.8 -95.6 141.8-159.7 0.8 5.5 75.2 4 4 A T E -A 11 0A 42 7,-1.1 7,-1.5 -2,-0.3 2,-0.3 -0.880 31.3-152.4-163.6 134.7 -1.2 3.2 73.0 5 5 A E E +A 10 0A 129 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.740 17.7 158.9-118.2 154.8 -1.8 3.3 69.2 6 6 A G - 0 0 16 3,-1.4 3,-0.2 -2,-0.3 -2,-0.0 -0.841 53.6 -81.1-151.7-169.3 -4.4 2.2 66.7 7 7 A P S S+ 0 0 109 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.820 124.7 11.4 -73.3 -32.5 -5.7 2.9 63.1 8 8 A N S S+ 0 0 56 1,-0.1 2,-0.3 171,-0.0 -3,-0.0 -0.020 121.8 62.2-135.7 30.8 -7.7 6.0 63.9 9 9 A F - 0 0 48 -3,-0.2 -3,-1.4 170,-0.1 2,-0.4 -0.933 43.7-174.4-162.9 134.8 -6.6 6.9 67.5 10 10 A Y E +A 5 0A 32 170,-0.3 -5,-0.2 -2,-0.3 -7,-0.0 -0.990 16.7 178.8-123.7 137.7 -3.7 7.9 69.6 11 11 A V E -A 4 0A 3 -7,-1.5 2,-1.9 -2,-0.4 -7,-1.1 -0.995 31.4-126.8-143.3 132.6 -4.1 8.2 73.4 12 12 A P S S+ 0 0 18 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.491 73.3 94.0 -83.8 73.1 -1.5 9.0 76.1 13 13 A F S S- 0 0 72 -2,-1.9 2,-0.4 263,-0.1 -2,-0.1 -0.919 70.5-118.5-158.0 142.1 -1.8 6.1 78.5 14 14 A S > - 0 0 23 -2,-0.3 3,-1.2 1,-0.1 5,-0.2 -0.624 4.6-152.8 -83.6 127.1 0.0 2.8 78.8 15 15 A N G > S+ 0 0 74 -12,-0.7 3,-1.5 -2,-0.4 -1,-0.1 0.438 78.6 101.5 -76.0 0.1 -2.0 -0.4 78.4 16 16 A K G 3 S+ 0 0 168 1,-0.3 2,-0.3 -15,-0.3 -1,-0.3 0.855 79.5 55.5 -41.5 -41.0 0.7 -1.9 80.8 17 17 A T G < S- 0 0 87 -3,-1.2 -1,-0.3 1,-0.0 -2,-0.1 -0.245 114.4-126.1 -89.8 43.2 -2.1 -1.5 83.3 18 18 A G S < S+ 0 0 67 -3,-1.5 -2,-0.1 -2,-0.3 -3,-0.1 0.582 85.9 92.8 11.2 61.8 -4.3 -3.6 81.1 19 19 A V + 0 0 61 -5,-0.2 -1,-0.2 11,-0.0 11,-0.1 0.359 47.9 115.7-148.1 -1.1 -7.2 -1.1 80.9 20 20 A V + 0 0 17 -5,-0.1 2,-0.3 -6,-0.1 8,-0.0 -0.411 34.1 153.0 -78.7 151.5 -6.6 1.1 77.7 21 21 A R - 0 0 161 -2,-0.1 -17,-0.0 -17,-0.1 -2,-0.0 -0.973 45.9 -55.7-168.3 169.9 -9.1 1.0 74.9 22 22 A S > - 0 0 29 -2,-0.3 4,-0.8 1,-0.1 3,-0.5 -0.114 33.7-140.7 -56.8 148.4 -10.6 3.0 72.0 23 23 A P T 4 S+ 0 0 0 0, 0.0 80,-1.3 0, 0.0 5,-0.1 0.176 90.8 74.8 -93.2 19.5 -12.1 6.4 72.6 24 24 A F T 4 S+ 0 0 23 78,-0.1 78,-0.1 3,-0.1 82,-0.0 0.541 109.1 15.4-110.8 -14.2 -14.9 5.7 70.1 25 25 A E T 4 S+ 0 0 144 -3,-0.5 77,-0.0 1,-0.3 79,-0.0 0.601 123.2 41.6-126.9 -38.8 -17.2 3.2 72.0 26 26 A A S < S- 0 0 21 -4,-0.8 -1,-0.3 77,-0.0 2,-0.2 -0.677 87.1 -99.1-110.5 165.2 -16.2 3.4 75.7 27 27 A P - 0 0 57 0, 0.0 2,-0.8 0, 0.0 75,-0.2 -0.609 21.6-133.2 -86.0 149.4 -15.3 6.3 77.9 28 28 A Q > + 0 0 1 73,-1.9 3,-1.7 -2,-0.2 4,-0.4 -0.359 50.1 145.6 -96.1 53.0 -11.7 7.2 78.7 29 29 A Y T 3 + 0 0 99 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.531 61.8 70.9 -71.5 -5.9 -12.1 7.6 82.4 30 30 A Y T 3 S+ 0 0 40 -3,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.347 86.9 67.4 -87.9 3.9 -8.5 6.2 83.0 31 31 A L S < S- 0 0 13 -3,-1.7 2,-0.3 1,-0.2 247,-0.2 0.803 118.4 -17.5 -86.6 -36.2 -7.1 9.4 81.6 32 32 A A S S- 0 0 12 -4,-0.4 -1,-0.2 -3,-0.1 3,-0.0 -0.889 85.7 -65.7-155.3-178.5 -8.2 11.7 84.4 33 33 A E >> - 0 0 124 -2,-0.3 3,-1.2 1,-0.1 4,-0.8 -0.588 46.3-118.0 -80.9 143.0 -10.6 11.9 87.4 34 34 A P H >> S+ 0 0 73 0, 0.0 4,-1.1 0, 0.0 3,-0.7 0.838 111.0 56.6 -46.8 -44.5 -14.4 12.0 86.5 35 35 A W H 3> S+ 0 0 166 1,-0.2 4,-1.2 2,-0.2 -2,-0.0 0.814 95.7 64.4 -62.8 -33.6 -14.9 15.4 88.1 36 36 A Q H <> S+ 0 0 58 -3,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.864 99.5 53.4 -59.7 -36.9 -12.3 17.1 85.8 37 37 A F H S+ 0 0 89 -4,-1.4 4,-2.5 -3,-0.3 5,-0.5 0.863 105.0 56.5 -63.4 -36.3 -19.6 29.3 78.8 47 47 A L H <5S+ 0 0 7 -4,-1.4 4,-0.5 1,-0.2 5,-0.2 0.801 114.9 38.7 -65.3 -30.6 -17.8 29.2 75.5 48 48 A I H X5S+ 0 0 5 -4,-1.5 4,-1.4 -3,-0.3 -2,-0.2 0.878 116.5 52.6 -80.5 -44.3 -21.1 28.6 73.8 49 49 A M H <5S+ 0 0 15 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.943 120.3 27.5 -57.5 -58.5 -23.1 30.9 76.1 50 50 A L T X5S+ 0 0 85 -4,-2.5 4,-1.1 2,-0.1 -1,-0.2 0.776 119.6 57.4 -81.3 -28.4 -21.1 34.1 75.7 51 51 A G H > S+ 0 0 38 0, 0.0 4,-3.7 0, 0.0 5,-0.3 0.919 113.0 49.7 -64.1 -47.0 -24.8 36.1 71.1 54 54 A I H X S+ 0 0 45 -4,-1.1 4,-0.8 1,-0.2 -2,-0.2 0.811 119.9 39.7 -66.7 -29.1 -21.9 38.6 71.1 55 55 A N H X S+ 0 0 1 -4,-2.0 4,-1.5 -3,-0.2 -1,-0.2 0.924 119.9 43.8 -77.6 -51.5 -20.9 37.4 67.7 56 56 A F H X S+ 0 0 93 -4,-3.3 4,-1.4 -5,-0.3 -2,-0.2 0.796 112.4 54.1 -65.1 -31.3 -24.4 37.0 66.3 57 57 A L H X S+ 0 0 57 -4,-3.7 4,-2.7 -5,-0.3 -1,-0.2 0.870 108.0 48.7 -71.3 -38.2 -25.5 40.3 67.8 58 58 A T H X S+ 0 0 13 -4,-0.8 4,-1.6 -5,-0.3 -2,-0.2 0.784 110.1 53.1 -69.7 -28.9 -22.6 42.1 66.0 59 59 A L H X S+ 0 0 52 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.836 116.1 39.4 -68.2 -35.5 -23.7 40.3 62.9 60 60 A Y H X S+ 0 0 123 -4,-1.4 4,-1.2 2,-0.2 5,-0.2 0.750 112.3 55.3 -87.8 -30.3 -27.2 41.7 63.4 61 61 A V H X S+ 0 0 7 -4,-2.7 4,-3.0 2,-0.2 -3,-0.2 0.949 113.0 42.3 -62.4 -50.6 -26.1 45.2 64.6 62 62 A T H < S+ 0 0 6 -4,-1.6 6,-0.3 2,-0.2 -2,-0.2 0.883 109.5 55.6 -67.8 -43.6 -24.1 45.8 61.5 63 63 A V H < S+ 0 0 96 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.863 118.9 34.5 -59.5 -38.4 -26.6 44.4 59.0 64 64 A Q H < S+ 0 0 110 -4,-1.2 2,-1.2 1,-0.2 -2,-0.2 0.939 113.8 60.9 -78.9 -52.7 -29.3 46.8 60.3 65 65 A H >< - 0 0 39 -4,-3.0 3,-1.1 -5,-0.2 -1,-0.2 -0.649 65.7-177.5 -80.0 95.8 -27.0 49.7 61.0 66 66 A K T 3 + 0 0 156 -2,-1.2 3,-0.5 1,-0.3 -1,-0.2 0.521 67.7 80.8 -75.8 -5.3 -25.5 50.4 57.6 67 67 A K T 3 S+ 0 0 200 1,-0.2 -1,-0.3 2,-0.1 -5,-0.1 0.409 77.6 73.0 -81.8 3.5 -23.2 53.2 58.9 68 68 A L < + 0 0 27 -3,-1.1 -1,-0.2 -6,-0.3 -2,-0.1 -0.242 54.0 118.4-109.6 43.1 -20.6 50.6 60.1 69 69 A R + 0 0 83 -3,-0.5 -1,-0.1 4,-0.0 -2,-0.1 -0.106 44.4 137.3 -91.9 33.9 -19.4 49.6 56.6 70 70 A T > - 0 0 54 1,-0.1 4,-2.3 -3,-0.0 5,-0.2 -0.540 69.4-119.2 -85.8 147.2 -15.9 50.9 57.6 71 71 A P H > S+ 0 0 28 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.680 117.5 55.4 -57.0 -20.1 -12.7 48.9 56.8 72 72 A L H > S+ 0 0 26 2,-0.2 4,-1.3 1,-0.1 3,-0.3 0.933 112.9 38.1 -69.7 -54.7 -12.2 48.7 60.6 73 73 A N H 4 S+ 0 0 20 1,-0.2 4,-0.1 2,-0.2 -1,-0.1 0.672 106.1 70.2 -73.6 -19.2 -15.6 47.0 61.2 74 74 A Y H >< S+ 0 0 47 -4,-2.3 3,-0.7 2,-0.2 4,-0.4 0.916 103.2 41.1 -62.0 -47.4 -15.3 45.0 57.9 75 75 A I H >X S+ 0 0 4 -4,-0.8 4,-1.3 -3,-0.3 3,-1.0 0.897 114.6 51.8 -68.5 -41.8 -12.5 42.8 59.4 76 76 A L T 3< S+ 0 0 13 -4,-1.3 4,-0.3 1,-0.3 -1,-0.2 0.343 106.1 55.2 -83.0 7.8 -14.4 42.6 62.8 77 77 A L T <> S+ 0 0 41 -3,-0.7 4,-0.7 -4,-0.1 -1,-0.3 0.445 104.5 55.6-101.1 -12.0 -17.5 41.5 61.0 78 78 A N H <> S+ 0 0 8 -3,-1.0 4,-1.8 -4,-0.4 -2,-0.2 0.794 107.5 47.4 -82.2 -33.8 -15.4 38.7 59.4 79 79 A L H X S+ 0 0 15 -4,-1.3 4,-2.3 2,-0.2 5,-0.2 0.892 107.7 53.8 -75.9 -42.4 -14.3 37.3 62.8 80 80 A A H > S+ 0 0 4 -4,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.898 110.4 50.3 -55.8 -42.0 -17.8 37.3 64.3 81 81 A V H X S+ 0 0 40 -4,-0.7 4,-0.7 1,-0.2 3,-0.4 0.949 112.8 44.3 -56.9 -54.0 -18.9 35.3 61.3 82 82 A A H X S+ 0 0 3 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.738 108.3 59.6 -68.4 -25.5 -16.0 32.8 61.8 83 83 A D H X S+ 0 0 5 -4,-2.3 4,-0.9 1,-0.2 3,-0.4 0.868 97.5 59.0 -67.2 -39.4 -16.7 32.6 65.5 84 84 A L H X S+ 0 0 24 -4,-1.4 4,-2.0 -3,-0.4 5,-0.3 0.758 100.1 56.6 -65.4 -27.0 -20.3 31.4 65.0 85 85 A F H X>S+ 0 0 106 -4,-0.7 4,-1.4 1,-0.2 5,-1.0 0.842 106.0 51.0 -69.1 -35.1 -18.9 28.3 63.1 86 86 A M H <>S+ 0 0 0 -4,-0.8 5,-2.2 -3,-0.4 -2,-0.2 0.671 112.2 48.1 -75.8 -18.5 -16.9 27.4 66.2 87 87 A V H <>S+ 0 0 1 -4,-0.9 5,-2.0 3,-0.2 4,-0.2 0.950 121.8 29.5 -81.2 -64.4 -20.0 27.7 68.4 88 88 A F H <5S+ 0 0 122 -4,-2.0 -2,-0.2 3,-0.2 -3,-0.2 0.733 140.2 24.5 -68.6 -24.1 -22.5 25.7 66.4 89 89 A G T X5S+ 0 0 10 -4,-1.4 4,-2.2 -5,-0.3 -3,-0.2 0.803 129.9 28.1 -99.5 -78.9 -19.7 23.5 65.0 90 90 A G H >S+ 0 0 1 -4,-1.0 4,-3.2 -5,-0.2 5,-1.0 0.905 105.0 53.1 -63.8 -48.9 -18.1 14.7 74.3 98 98 A S H <5S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -57,-0.2 0.834 107.2 54.6 -56.6 -34.9 -16.9 16.3 77.6 99 99 A L H <5S+ 0 0 93 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.917 120.5 26.7 -71.8 -46.2 -20.2 15.3 79.2 100 100 A H H <5S- 0 0 57 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.840 105.2-123.2 -83.1 -38.8 -20.2 11.6 78.4 101 101 A G T <5S+ 0 0 2 -4,-3.2 -73,-1.9 -5,-0.3 2,-0.2 0.790 76.0 70.2 97.4 35.4 -16.4 11.3 78.2 102 102 A Y S - 0 0 12 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 -0.428 36.1 -44.4 98.4-166.9 -17.3 8.8 65.5 107 107 A P H > S+ 0 0 55 0, 0.0 4,-1.4 0, 0.0 3,-0.2 0.924 139.7 49.4 -68.2 -46.7 -14.2 9.2 63.2 108 108 A T H 4 S+ 0 0 99 1,-0.2 4,-0.2 2,-0.2 -2,-0.2 0.830 107.6 58.1 -57.3 -34.3 -16.1 11.4 60.7 109 109 A G H >> S+ 0 0 0 -4,-0.5 4,-1.4 1,-0.2 3,-1.1 0.872 102.0 51.8 -64.2 -41.0 -17.2 13.4 63.8 110 110 A a H 3X S+ 0 0 1 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.835 106.1 57.0 -63.3 -32.2 -13.6 14.1 64.8 111 111 A N H 3X S+ 0 0 41 -4,-1.4 4,-0.5 1,-0.2 -1,-0.2 0.502 103.5 54.9 -78.8 -4.1 -13.1 15.3 61.2 112 112 A L H <> S+ 0 0 82 -3,-1.1 4,-1.6 -4,-0.2 -2,-0.2 0.882 106.9 45.1 -90.3 -51.1 -15.9 17.9 61.6 113 113 A E H X S+ 0 0 0 -4,-1.4 4,-4.4 2,-0.2 5,-0.3 0.926 114.7 49.7 -56.7 -49.0 -14.7 19.8 64.7 114 114 A G H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 5,-0.4 0.923 107.2 52.1 -59.2 -51.1 -11.1 20.0 63.4 115 115 A F H X S+ 0 0 56 -4,-0.5 4,-0.6 1,-0.2 -1,-0.2 0.864 121.5 35.6 -53.0 -38.4 -12.0 21.3 59.9 116 116 A F H X S+ 0 0 52 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.918 115.4 51.5 -81.1 -49.2 -14.0 24.0 61.7 117 117 A A H X S+ 0 0 11 -4,-4.4 4,-1.0 1,-0.3 -3,-0.2 0.765 114.2 44.3 -66.2 -28.1 -11.8 24.7 64.8 118 118 A T H X S+ 0 0 22 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.3 0.773 110.0 58.0 -80.3 -30.6 -8.7 25.2 62.7 119 119 A L H X S+ 0 0 19 -4,-0.6 4,-1.2 -5,-0.4 -2,-0.2 0.931 108.1 44.7 -63.6 -48.0 -10.7 27.3 60.3 120 120 A G H X S+ 0 0 8 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.862 114.4 48.7 -64.7 -39.1 -11.7 29.8 63.0 121 121 A G H < S+ 0 0 5 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.861 113.7 44.8 -71.4 -38.9 -8.2 30.0 64.5 122 122 A E H >X S+ 0 0 30 -4,-2.0 4,-2.1 1,-0.2 3,-0.8 0.615 105.1 61.8 -83.8 -14.4 -6.5 30.6 61.2 123 123 A I H 3X S+ 0 0 3 -4,-1.2 4,-1.1 1,-0.2 -1,-0.2 0.805 101.2 55.3 -72.4 -30.5 -9.1 33.1 60.1 124 124 A A H 3< S+ 0 0 12 -4,-1.0 -1,-0.2 2,-0.1 -2,-0.2 0.214 112.8 43.5 -82.6 13.7 -7.9 35.1 63.2 125 125 A L H <> S+ 0 0 8 -3,-0.8 4,-0.6 35,-0.1 -2,-0.2 0.640 113.5 43.7-120.5 -47.2 -4.3 34.9 61.7 126 126 A W H < S+ 0 0 13 -4,-2.1 4,-0.2 1,-0.2 -2,-0.1 0.707 115.0 53.0 -72.1 -22.1 -4.7 35.7 58.0 127 127 A S T >X S+ 0 0 0 -4,-1.1 4,-2.0 -5,-0.2 3,-0.8 0.767 101.0 59.1 -81.7 -29.5 -7.1 38.5 58.9 128 128 A L H 3> S+ 0 0 19 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.703 96.1 63.3 -68.9 -20.9 -4.5 40.0 61.3 129 129 A V H 3< S+ 0 0 24 -4,-0.6 4,-0.2 2,-0.2 -1,-0.2 0.651 107.9 42.5 -76.3 -17.1 -2.2 40.3 58.3 130 130 A V H <> S+ 0 0 14 -3,-0.8 4,-2.5 -4,-0.2 -2,-0.2 0.796 116.8 47.3 -88.2 -38.5 -4.8 42.7 56.9 131 131 A L H X S+ 0 0 14 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.858 113.6 46.8 -69.2 -39.3 -5.2 44.4 60.3 132 132 A A H X S+ 0 0 15 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.793 120.2 40.5 -70.8 -28.5 -1.5 44.8 60.9 133 133 A I H > S+ 0 0 58 -4,-0.2 4,-1.6 -5,-0.2 -2,-0.2 0.720 107.1 59.2 -96.4 -26.9 -1.1 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3,-0.3 0.871 105.7 54.8 -55.0 -41.1 -5.6 46.0 67.9 247 255 A I H X S+ 0 0 54 -4,-1.0 4,-2.5 -3,-0.4 3,-0.4 0.829 102.3 56.9 -66.2 -31.2 -2.5 45.4 70.0 248 256 A I H X S+ 0 0 57 -4,-1.6 4,-3.2 -3,-0.4 -1,-0.2 0.832 108.1 47.1 -69.6 -32.1 -4.6 44.1 72.9 249 257 A M H < S+ 0 0 20 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.497 111.7 51.1 -85.4 -7.4 -6.0 41.5 70.4 250 258 A V H X S+ 0 0 30 -4,-0.6 4,-1.3 -3,-0.4 -2,-0.2 0.747 116.8 41.8 -85.2 -36.4 -2.4 40.8 69.4 251 259 A I H X S+ 0 0 89 -4,-2.5 4,-1.0 2,-0.2 3,-0.3 0.979 114.8 46.3 -70.0 -61.4 -1.6 40.4 73.1 252 260 A A H X S+ 0 0 20 -4,-3.2 4,-1.8 1,-0.3 3,-0.3 0.813 111.2 55.7 -55.2 -34.8 -4.6 38.4 74.3 253 261 A F H > S+ 0 0 19 1,-0.2 4,-3.0 -5,-0.2 5,-0.3 0.948 109.0 46.5 -56.6 -50.9 -4.1 36.1 71.2 254 262 A L H < S+ 0 0 60 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.491 110.0 53.4 -79.1 -5.9 -0.6 35.4 72.3 255 263 A I H < S+ 0 0 104 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.808 119.1 34.1 -84.7 -39.0 -1.6 34.8 75.9 256 264 A C H X S+ 0 0 10 -4,-1.8 4,-0.5 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1,-0.2 -2,-0.2 0.865 111.0 43.5 -58.3 -39.3 7.4 20.2 72.7 267 275 A I H < S+ 0 0 0 -4,-1.8 5,-0.3 2,-0.2 -1,-0.2 0.876 108.9 56.2 -73.5 -41.1 5.4 17.1 71.8 268 276 A F H < S+ 0 0 44 -4,-1.6 3,-0.3 1,-0.2 -2,-0.2 0.734 114.5 40.9 -66.1 -22.6 6.5 17.3 68.1 269 277 A T H < S+ 0 0 76 -4,-1.5 2,-1.4 1,-0.2 -2,-0.2 0.863 116.0 49.9 -83.2 -46.9 10.1 17.2 69.3 270 278 A H S >< S- 0 0 70 -4,-2.3 2,-2.2 -5,-0.2 3,-1.6 -0.547 83.7-168.1 -91.2 68.6 9.4 14.6 72.0 271 279 A Q T 3 S- 0 0 128 -2,-1.4 -3,-0.1 -3,-0.3 -79,-0.1 -0.341 73.9 -6.1 -68.8 78.7 7.5 12.2 69.7 272 280 A G T 3 S+ 0 0 24 -2,-2.2 -270,-0.4 -5,-0.3 -1,-0.3 0.740 88.1 151.8 106.4 33.5 6.0 9.8 72.2 273 281 A S < - 0 0 54 -3,-1.6 2,-1.3 -6,-0.2 -1,-0.1 -0.263 66.3 -85.5 -77.7 177.1 7.3 10.8 75.6 274 282 A D S S+ 0 0 119 -2,-0.1 2,-0.3 -271,-0.0 -1,-0.1 -0.147 73.1 151.9 -81.6 44.1 5.3 10.2 78.8 275 283 A F - 0 0 24 -2,-1.3 5,-0.0 -5,-0.2 -8,-0.0 -0.592 38.7-128.4 -78.2 136.5 3.4 13.5 78.4 276 284 A G - 0 0 28 -2,-0.3 4,-0.4 1,-0.1 -94,-0.1 0.173 13.9-107.6 -77.8-170.2 -0.0 13.3 79.9 277 285 A P S >> S+ 0 0 15 0, 0.0 4,-2.0 0, 0.0 3,-0.8 0.887 115.7 51.3 -83.7 -47.4 -3.6 14.1 78.8 278 286 A I H 3> S+ 0 0 56 -247,-0.2 4,-1.9 1,-0.2 -95,-0.1 0.935 100.1 68.0 -51.4 -52.3 -4.1 17.3 80.8 279 287 A F H 34 S+ 0 0 75 1,-0.2 -1,-0.2 2,-0.2 -16,-0.1 0.758 112.1 27.8 -36.0 -46.9 -0.8 18.6 79.4 280 288 A M H <> S+ 0 0 0 -3,-0.8 4,-0.8 -4,-0.4 -1,-0.2 0.772 120.3 53.8 -94.0 -31.7 -2.1 18.9 75.8 281 289 A T H >X S+ 0 0 1 -4,-2.0 4,-1.6 2,-0.2 3,-1.5 0.994 98.7 57.6 -67.6 -62.6 -5.9 19.5 76.5 282 290 A I H 3X S+ 0 0 76 -4,-1.9 4,-2.5 1,-0.3 5,-0.2 0.780 105.3 48.6 -45.0 -50.6 -5.9 22.5 78.9 283 291 A P H 3> S+ 0 0 13 0, 0.0 4,-2.5 0, 0.0 -23,-0.4 0.855 109.3 55.0 -62.8 -32.8 -4.0 24.9 76.6 284 292 A A H < S+ 0 0 91 -4,-2.5 3,-0.7 -5,-0.3 -1,-0.2 0.838 114.3 45.6 -71.7 -35.6 -7.7 27.9 77.3 287 295 A A H >< S+ 0 0 0 -4,-2.5 3,-1.1 -5,-0.2 -2,-0.3 0.766 98.5 73.8 -73.8 -26.8 -6.8 28.9 73.7 288 296 A K T 3< + 0 0 13 -4,-2.0 3,-0.4 1,-0.3 -1,-0.2 0.200 67.6 88.4 -80.8 18.2 -10.3 28.2 72.6 289 297 A T T X> + 0 0 33 -3,-0.7 3,-2.3 1,-0.2 4,-1.5 0.367 58.3 109.7 -82.5 2.9 -11.6 31.4 74.2 290 298 A S H <> S+ 0 0 5 -3,-1.1 4,-0.6 1,-0.3 -1,-0.2 0.804 71.3 51.5 -45.6 -42.1 -10.7 32.9 70.8 291 299 A A H 34 S+ 0 0 0 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.497 111.3 46.9 -81.3 -4.7 -14.3 33.5 69.8 292 300 A V H <4 S+ 0 0 21 -3,-2.3 4,-0.4 2,-0.1 -2,-0.2 0.791 105.9 50.0-106.8 -38.6 -15.3 35.3 73.0 293 301 A Y H X S+ 0 0 30 -4,-1.5 4,-1.1 1,-0.2 5,-0.2 0.620 92.8 79.2 -80.2 -13.3 -12.6 37.9 73.8 294 302 A N H X S+ 0 0 16 -4,-0.6 4,-0.8 1,-0.2 -1,-0.2 0.940 101.6 31.3 -60.2 -52.5 -12.7 39.4 70.2 295 303 A P H > S+ 0 0 7 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.559 107.6 70.1 -88.3 -6.5 -15.8 41.6 70.5 296 304 A V H > S+ 0 0 58 -4,-0.4 4,-2.0 2,-0.2 3,-0.4 0.938 108.3 35.3 -72.7 -48.4 -15.6 42.4 74.3 297 305 A I H X S+ 0 0 34 -4,-1.1 4,-0.8 2,-0.2 5,-0.5 0.779 111.4 64.2 -74.2 -28.8 -12.5 44.7 73.9 298 306 A Y H < S+ 0 0 26 -4,-0.8 4,-0.4 -5,-0.2 -1,-0.2 0.731 112.8 35.3 -62.6 -25.5 -14.0 45.8 70.6 299 307 A I H < S+ 0 0 40 -4,-0.6 -2,-0.2 -3,-0.4 -1,-0.2 0.741 115.1 55.4 -95.0 -33.3 -16.9 47.2 72.7 300 308 A M H < S+ 0 0 114 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.2 0.431 122.2 24.2 -83.2 1.1 -14.7 48.3 75.7 301 309 A M < 0 0 43 -4,-0.8 -3,-0.2 1,-0.2 -1,-0.1 0.642 360.0 360.0-130.4 -42.1 -12.4 50.5 73.6 302 310 A N 0 0 55 -5,-0.5 -1,-0.2 -4,-0.4 3,-0.1 -0.768 360.0 360.0 -95.3 360.0 -14.0 51.7 70.3 303 ! 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 0.0 304 314 A R > 0 0 146 0, 0.0 4,-1.1 0, 0.0 -5,-0.1 0.000 360.0 360.0 360.0 -43.3 -19.8 50.5 71.3 305 315 A N H > + 0 0 111 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.958 360.0 55.2 -70.1 -54.0 -22.6 53.1 70.8 306 316 A C H > S+ 0 0 38 1,-0.2 4,-1.8 2,-0.2 5,-0.3 0.816 104.3 55.7 -49.2 -39.9 -24.3 51.4 67.8 307 317 A M H > S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.941 108.7 44.7 -63.4 -49.1 -24.7 48.1 69.8 308 318 A V H X S+ 0 0 77 -4,-1.1 4,-1.8 -3,-0.3 -1,-0.2 0.788 108.8 61.2 -65.3 -27.6 -26.6 49.7 72.7 309 319 A T H < S+ 0 0 60 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.914 110.1 36.8 -67.9 -48.4 -28.7 51.6 70.1 310 320 A T H < S+ 0 0 43 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.879 119.7 52.5 -65.7 -40.0 -30.1 48.5 68.5 311 321 A L H < S+ 0 0 105 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.763 100.4 80.0 -62.1 -30.6 -30.2 47.0 72.0 312 322 A C < - 0 0 50 -4,-1.8 -3,-0.1 -5,-0.1 -2,-0.1 0.781 65.3-153.7 -55.4-133.0 -32.1 50.0 73.3 313 323 A C S S+ 0 0 90 -4,-0.2 2,-0.3 309,-0.0 -1,-0.1 -0.038 92.4 19.4 177.0 -51.2 -35.9 50.6 73.0 314 324 A G S S- 0 0 51 2,-0.0 -5,-0.0 0, 0.0 0, 0.0 -0.829 89.1-152.0-132.5 98.6 -36.0 54.3 73.1 315 325 A K - 0 0 150 -2,-0.3 -6,-0.1 -6,-0.1 -5,-0.0 -0.195 8.7-162.3 -61.9 157.6 -32.5 55.6 72.3 316 326 A N - 0 0 137 2,-0.0 2,-0.7 0, 0.0 -4,-0.0 -0.979 29.6 -96.9-139.2 154.4 -31.2 58.9 73.6 317 327 A P + 0 0 117 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.600 46.8 169.1 -78.9 112.3 -28.2 61.0 72.4 318 328 A L 0 0 165 -2,-0.7 -13,-0.0 1,-0.1 -2,-0.0 -0.925 360.0 360.0-118.8 147.3 -25.0 60.4 74.4 319 329 A G 0 0 131 -2,-0.3 -1,-0.1 0, 0.0 0, 0.0 0.326 360.0 360.0-158.9 360.0 -21.5 61.6 73.6 320 !* 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 0.0 321 1 B M 0 0 30 0, 0.0 2,-1.9 0, 0.0 15,-0.3 0.000 360.0 360.0 360.0 112.2 -57.7 2.6 72.9 322 2 B N - 0 0 64 272,-0.4 2,-0.3 12,-0.1 275,-0.2 -0.549 360.0 -1.6 -80.4 76.0 -56.7 6.2 72.0 323 3 B G S S- 0 0 1 -2,-1.9 12,-0.7 9,-0.2 2,-0.3 -0.968 82.8 -95.8 142.0-159.3 -53.2 5.9 73.4 324 4 B T E -C 331 0C 25 7,-1.1 7,-1.4 -2,-0.3 2,-0.3 -0.872 31.3-152.2-163.8 134.8 -51.1 3.3 75.2 325 5 B E E +C 330 0C 10 -2,-0.3 5,-0.2 5,-0.2 332,-0.1 -0.737 17.9 158.6-118.2 154.7 -50.5 2.8 79.0 326 6 B G - 0 0 1 3,-1.3 3,-0.2 -2,-0.3 332,-0.2 -0.837 53.6 -81.2-151.5-169.0 -47.8 1.4 81.4 327 7 B P S S+ 0 0 64 0, 0.0 331,-0.1 0, 0.0 3,-0.1 0.828 124.6 11.6 -73.6 -33.1 -46.5 1.5 85.0 328 8 B N S S+ 0 0 58 1,-0.1 2,-0.3 167,-0.0 330,-0.0 -0.024 121.7 61.8-134.9 30.8 -44.6 4.7 84.6 329 9 B F - 0 0 45 -3,-0.2 -3,-1.3 166,-0.1 2,-0.4 -0.929 43.5-174.3-163.3 134.6 -45.7 6.1 81.2 330 10 B Y E +C 325 0C 9 166,-0.3 -5,-0.2 -2,-0.3 -7,-0.0 -0.986 16.8 178.6-123.2 137.9 -48.7 7.4 79.3 331 11 B V E -C 324 0C 3 -7,-1.4 2,-1.9 -2,-0.4 -7,-1.1 -0.993 31.5-126.6-143.8 132.4 -48.3 8.3 75.6 332 12 B P S S+ 0 0 17 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.488 73.4 93.9 -83.6 73.2 -50.9 9.6 73.1 333 13 B F S S- 0 0 72 -2,-1.9 2,-0.4 265,-0.1 -2,-0.1 -0.919 70.5-118.7-158.3 142.4 -50.6 7.0 70.3 334 14 B S > - 0 0 18 -2,-0.3 3,-1.3 1,-0.1 5,-0.2 -0.637 4.6-152.5 -84.4 126.4 -52.4 3.8 69.4 335 15 B N G > S+ 0 0 34 -12,-0.7 3,-1.5 -2,-0.4 -1,-0.1 0.450 78.6 101.7 -75.0 -0.5 -50.4 0.5 69.3 336 16 B K G 3 S+ 0 0 36 1,-0.3 -1,-0.3 -15,-0.3 2,-0.2 0.842 79.5 55.4 -41.8 -39.6 -53.1 -0.5 66.8 337 17 B T G < S- 0 0 67 -3,-1.3 -1,-0.3 313,-0.0 -2,-0.1 -0.249 114.5-126.0 -91.6 44.2 -50.3 0.3 64.4 338 18 B G S < S+ 0 0 45 -3,-1.5 -2,-0.1 -2,-0.2 -3,-0.1 0.574 85.9 92.8 11.6 60.5 -48.0 -2.1 66.2 339 19 B V + 0 0 63 -5,-0.2 -1,-0.2 11,-0.0 11,-0.1 0.357 47.7 115.8-147.9 -0.6 -45.2 0.4 66.8 340 20 B V + 0 0 19 -5,-0.1 2,-0.3 -6,-0.0 8,-0.0 -0.439 34.2 153.1 -79.1 150.4 -45.7 2.0 70.2 341 21 B R - 0 0 161 -2,-0.1 -17,-0.0 -17,-0.1 -2,-0.0 -0.974 45.8 -55.7-168.1 168.9 -43.2 1.5 73.0 342 22 B S > - 0 0 29 -2,-0.3 4,-0.8 1,-0.1 3,-0.5 -0.090 33.4-141.2 -55.7 148.0 -41.7 3.0 76.2 343 23 B P T 4 S+ 0 0 0 0, 0.0 80,-1.2 0, 0.0 -1,-0.1 0.179 91.0 74.7 -92.9 19.3 -40.2 6.5 76.0 344 24 B F T 4 S+ 0 0 25 78,-0.1 78,-0.1 3,-0.1 -2,-0.0 0.544 109.2 15.3-110.7 -13.5 -37.4 5.5 78.4 345 25 B E T 4 S+ 0 0 144 -3,-0.5 77,-0.0 1,-0.3 79,-0.0 0.592 123.2 41.2-127.6 -37.7 -35.1 3.4 76.1 346 26 B A S < S- 0 0 23 -4,-0.8 -1,-0.3 77,-0.0 2,-0.2 -0.697 87.3 -98.7-111.6 165.5 -36.2 4.1 72.5 347 27 B P - 0 0 56 0, 0.0 2,-0.8 0, 0.0 75,-0.2 -0.618 21.8-133.0 -86.5 149.1 -37.1 7.3 70.7 348 28 B Q > + 0 0 1 73,-1.9 3,-1.8 -2,-0.2 4,-0.4 -0.357 50.2 145.5 -95.6 52.7 -40.8 8.3 70.2 349 29 B Y T 3 + 0 0 103 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.528 61.7 70.9 -72.0 -5.6 -40.4 9.3 66.5 350 30 B Y T 3 S+ 0 0 39 -3,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.346 86.9 67.6 -88.1 4.5 -43.9 7.9 65.8 351 31 B L S < S- 0 0 13 -3,-1.8 2,-0.3 1,-0.2 249,-0.3 0.784 118.2 -17.9 -87.3 -34.8 -45.4 10.9 67.7 352 32 B A S S- 0 0 14 -4,-0.4 -1,-0.2 -3,-0.1 5,-0.0 -0.905 85.9 -65.4-156.6-178.5 -44.3 13.5 65.2 353 33 B E >> - 0 0 122 -2,-0.3 3,-1.2 1,-0.1 4,-0.8 -0.573 46.4-117.8 -80.4 143.3 -41.9 14.2 62.3 354 34 B P H >> S+ 0 0 78 0, 0.0 4,-1.1 0, 0.0 3,-0.7 0.841 111.1 56.5 -46.8 -44.6 -38.2 14.2 63.1 355 35 B W H 3> S+ 0 0 167 1,-0.2 4,-1.2 2,-0.2 -2,-0.0 0.805 95.6 64.3 -63.0 -33.2 -37.7 17.9 62.2 356 36 B Q H <> S+ 0 0 58 -3,-1.2 4,-1.5 1,-0.2 -1,-0.2 0.865 99.7 53.6 -60.3 -36.4 -40.4 19.1 64.6 357 37 B F H S+ 0 0 89 -4,-1.4 4,-2.4 -3,-0.3 5,-0.5 0.853 105.0 56.4 -63.1 -35.9 -33.1 30.2 73.4 367 47 B L H <5S+ 0 0 7 -4,-1.3 4,-0.4 1,-0.2 -1,-0.2 0.794 114.9 38.8 -66.3 -29.4 -34.9 29.6 76.7 368 48 B I H X5S+ 0 0 2 -4,-1.5 4,-1.4 -3,-0.4 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58.5 52.6 -42.3 13.1 76.2 501 185 B C T <5S+ 0 0 1 -4,-0.8 -84,-0.2 -79,-0.1 2,-0.2 0.510 72.7 54.4-134.3 -34.5 -39.6 15.6 76.8 502 186 B S E - 0 0 23 1,-0.1 3,-2.4 4,-0.1 4,-0.2 0.924 9.3-174.8 36.5 63.0 -54.0 5.8 89.0 512 196 B E G > S+ 0 0 169 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.739 71.5 80.2 -57.2 -24.8 -56.0 5.5 92.2 513 197 B E G 3 S+ 0 0 165 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.658 109.3 24.1 -55.3 -19.7 -52.9 3.7 93.6 514 198 B T G < S- 0 0 32 -3,-2.4 -22,-2.6 -4,-0.2 -1,-0.3 0.180 112.2-111.1-133.9 18.3 -51.4 7.2 94.2 515 199 B N < + 0 0 96 -3,-1.1 -23,-0.3 -4,-0.2 4,-0.3 0.968 49.0 164.4 52.5 79.0 -54.6 9.5 94.4 516 200 B N >> + 0 0 3 -6,-1.0 3,-1.8 -5,-0.2 4,-1.8 0.946 69.1 50.8 -84.3 -60.1 -54.6 11.6 91.2 517 201 B E H 3> S+ 0 0 125 -7,-0.4 4,-1.6 1,-0.3 5,-0.1 0.807 108.3 55.1 -52.1 -36.5 -58.1 13.1 91.0 518 202 B S H 3> S+ 0 0 48 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.723 107.6 48.7 -73.0 -23.7 -57.9 14.2 94.7 519 203 B F H <> S+ 0 0 0 -3,-1.8 4,-1.9 -4,-0.3 -1,-0.2 0.842 106.9 57.1 -77.3 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111.1 41.7 -82.2 -42.7 -56.7 34.2 90.2 533 217 B I H >X S+ 0 0 89 -4,-2.4 4,-2.1 1,-0.2 3,-1.2 0.847 112.5 55.1 -71.7 -36.1 -59.9 35.4 92.0 534 218 B V H 3X S+ 0 0 52 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.794 107.5 51.1 -63.8 -28.9 -57.7 37.2 94.7 535 219 B I H 3< S+ 0 0 24 -4,-0.6 -1,-0.2 -5,-0.2 -2,-0.2 0.276 113.0 45.5 -94.3 8.3 -56.1 39.0 91.7 536 220 B F H <> S+ 0 0 130 -3,-1.2 4,-1.6 3,-0.1 -2,-0.2 0.571 109.3 55.4-105.0 -28.8 -59.6 40.0 90.5 537 221 B F H < S+ 0 0 145 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.851 118.0 32.4 -74.6 -37.8 -60.8 41.0 93.9 538 222 B C T < S+ 0 0 8 -4,-1.3 4,-0.3 2,-0.2 -1,-0.2 0.706 117.4 55.9 -90.8 -26.2 -58.0 43.6 94.5 539 223 B Y T >4 S+ 0 0 115 -5,-0.2 3,-0.8 1,-0.2 -2,-0.2 0.843 104.9 56.6 -64.5 -36.1 -57.8 44.4 90.8 540 224 B G G >< S+ 0 0 41 -4,-1.6 3,-0.6 1,-0.2 4,-0.2 0.728 102.4 51.8 -70.3 -26.2 -61.5 45.2 91.1 541 225 B Q G 3 S+ 0 0 103 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.440 101.7 62.0 -91.1 -1.9 -61.1 47.8 93.9 542 226 B L G <> S+ 0 0 39 -3,-0.8 4,-0.7 -4,-0.3 -1,-0.2 0.190 79.7 90.0-101.0 12.1 -58.4 49.7 91.9 543 227 B V T <4 S+ 0 0 54 -3,-0.6 3,-0.3 1,-0.2 -2,-0.1 0.844 77.0 59.8 -77.1 -37.1 -60.9 50.5 89.1 544 228 B F T 4 S+ 0 0 202 1,-0.2 3,-0.3 -4,-0.2 -1,-0.2 0.802 100.2 59.9 -60.2 -29.3 -62.1 53.8 90.6 545 229 B T T 4 S+ 0 0 60 1,-0.2 2,-0.3 -4,-0.1 -1,-0.2 0.852 121.2 10.7 -73.5 -39.9 -58.5 55.1 90.4 546 230 B V S < S+ 0 0 106 -4,-0.7 -1,-0.2 -3,-0.3 3,-0.1 -0.815 97.2 82.5-144.3 107.9 -58.0 54.8 86.5 547 231 B K S S- 0 0 152 1,-0.5 2,-0.2 -2,-0.3 -3,-0.1 0.078 87.1 -15.9-157.8 -83.0 -61.0 54.0 84.2 548 232 B E - 0 0 160 -4,-0.1 -1,-0.5 2,-0.0 0, 0.0 -0.679 36.3-160.6-127.6-178.9 -63.3 56.8 82.9 549 233 B A 0 0 103 -2,-0.2 -1,-0.0 -3,-0.1 -3,-0.0 0.101 360.0 360.0-156.9 34.2 -64.1 60.4 83.9 550 234 B A 0 0 154 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.319 360.0 360.0 62.7 360.0 -67.6 61.3 82.4 551 ! 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 0.0 552 238 B Q 0 0 224 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -64.1 -58.8 67.8 91.2 553 239 B E - 0 0 120 1,-0.1 2,-1.7 3,-0.0 0, 0.0 -0.333 360.0-148.9 -75.3 116.6 -55.2 66.8 91.5 554 240 B S - 0 0 111 -2,-0.3 -1,-0.1 1,-0.0 2,-0.1 -0.640 43.1-138.0 -70.3 86.9 -52.5 68.5 89.3 555 241 B A + 0 0 43 -2,-1.7 -1,-0.0 1,-0.2 -2,-0.0 -0.261 52.3 139.8 -70.2 129.3 -50.6 65.2 89.5 556 242 B T S > S+ 0 0 121 -2,-0.1 4,-0.8 3,-0.0 -1,-0.2 0.582 81.4 35.1-124.2 -52.3 -46.8 65.0 90.0 557 243 B T H > S+ 0 0 126 1,-0.1 4,-0.8 2,-0.1 -2,-0.1 0.802 119.3 53.7 -74.4 -33.4 -46.1 62.2 92.5 558 244 B Q H >4 S+ 0 0 77 1,-0.2 3,-0.7 2,-0.2 -1,-0.1 0.951 101.2 56.3 -60.8 -53.6 -48.9 60.1 91.0 559 245 B K H >4 S+ 0 0 163 1,-0.3 3,-0.8 2,-0.2 4,-0.2 0.770 106.0 47.6 -64.7 -36.0 -48.0 60.1 87.4 560 246 B A H 3< S+ 0 0 68 -4,-0.8 3,-0.5 1,-0.2 4,-0.3 0.819 116.4 47.5 -67.1 -32.9 -44.5 58.7 87.7 561 247 B E T << S+ 0 0 85 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.084 97.3 70.8 -98.9 20.1 -45.9 55.9 89.9 562 248 B K S < S+ 0 0 81 -3,-0.8 4,-0.3 2,-0.1 -1,-0.2 0.408 95.2 52.5-111.0 -3.9 -48.9 55.1 87.6 563 249 B E S > S+ 0 0 65 -3,-0.5 4,-1.9 -4,-0.2 -2,-0.1 0.584 105.4 55.0 -95.5 -19.4 -46.6 53.5 84.9 564 250 B V H > S+ 0 0 1 -4,-0.3 4,-1.1 2,-0.2 -2,-0.1 0.761 106.8 50.6 -81.8 -30.6 -45.1 51.2 87.6 565 251 B T H > S+ 0 0 37 2,-0.2 4,-1.0 -4,-0.2 -1,-0.2 0.838 111.3 50.7 -65.0 -37.6 -48.6 50.1 88.5 566 252 B R H > S+ 0 0 166 -4,-0.3 4,-1.5 2,-0.2 3,-0.4 0.892 100.8 60.8 -67.4 -44.0 -49.0 49.5 84.7 567 253 B M H X S+ 0 0 2 -4,-1.9 4,-1.2 1,-0.2 3,-0.4 0.896 102.6 52.4 -49.5 -48.5 -45.8 47.4 84.5 568 254 B V H X S+ 0 0 20 -4,-1.1 4,-0.6 1,-0.2 3,-0.3 0.869 105.7 54.8 -55.5 -41.2 -47.2 44.8 86.9 569 255 B I H X S+ 0 0 53 -4,-1.0 4,-2.5 -3,-0.4 3,-0.3 0.826 102.3 57.0 -65.9 -31.3 -50.4 44.6 84.7 570 256 B I H X S+ 0 0 56 -4,-1.5 4,-3.2 -3,-0.4 -1,-0.2 0.824 108.2 46.9 -69.8 -31.5 -48.2 43.7 81.7 571 257 B M H < S+ 0 0 19 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.493 111.8 50.9 -86.0 -7.6 -46.7 40.8 83.7 572 258 B V H X S+ 0 0 30 -4,-0.6 4,-1.3 -3,-0.3 -2,-0.2 0.745 116.9 41.8 -85.2 -36.4 -50.3 39.9 84.7 573 259 B I H X S+ 0 0 92 -4,-2.5 4,-0.9 2,-0.2 3,-0.3 0.977 114.9 46.4 -70.1 -60.9 -51.2 40.1 80.9 574 260 B A H X S+ 0 0 19 -4,-3.2 4,-1.7 1,-0.3 3,-0.3 0.803 111.1 55.6 -55.9 -33.7 -48.1 38.3 79.4 575 261 B F H > S+ 0 0 16 1,-0.2 4,-3.0 -5,-0.2 5,-0.3 0.943 109.0 46.5 -57.3 -50.4 -48.6 35.6 82.1 576 262 B L H < S+ 0 0 61 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.484 110.1 53.2 -79.1 -6.0 -52.2 35.0 80.9 577 263 B I H < S+ 0 0 102 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.803 119.3 34.2 -85.2 -38.7 -51.1 34.9 77.2 578 264 B C H X S+ 0 0 11 -4,-1.7 4,-0.5 -5,-0.2 -2,-0.2 0.916 124.1 36.9 -84.3 -47.6 -48.5 32.3 77.9 579 265 B W H X S+ 0 0 33 -4,-3.0 4,-2.7 -5,-0.2 -3,-0.2 0.568 102.9 70.4 -89.1 -11.1 -49.9 30.0 80.6 580 266 B L H > S+ 0 0 88 -5,-0.3 4,-3.9 2,-0.2 5,-0.4 0.945 92.7 54.5 -73.6 -49.4 -53.6 30.1 79.6 581 267 B P H > S+ 0 0 54 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.890 117.9 39.3 -49.9 -41.1 -53.3 27.9 76.5 582 268 B Y H X S+ 0 0 22 -4,-0.5 4,-2.3 23,-0.4 -2,-0.2 0.947 117.1 48.8 -70.4 -52.4 -51.6 25.3 78.7 583 269 B A H X S+ 0 0 16 -4,-2.7 4,-1.0 1,-0.2 -3,-0.2 0.897 117.0 42.0 -54.7 -45.9 -54.0 25.8 81.7 584 270 B G H X S+ 0 0 43 -4,-3.9 4,-1.8 2,-0.2 3,-0.4 0.908 114.4 48.6 -71.7 -46.3 -57.1 25.6 79.5 585 271 B V H X S+ 0 0 32 -4,-1.8 4,-1.8 -5,-0.4 -1,-0.2 0.813 106.1 60.4 -62.3 -31.9 -56.0 22.7 77.3 586 272 B A H X S+ 0 0 4 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.841 106.7 46.0 -63.5 -34.7 -55.0 20.9 80.6 587 273 B F H X S+ 0 0 113 -4,-1.0 4,-1.5 -3,-0.4 -2,-0.2 0.857 106.8 57.8 -73.8 -38.9 -58.6 21.1 81.7 588 274 B Y H X S+ 0 0 129 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.861 111.1 43.5 -58.1 -39.3 -59.9 19.9 78.3 589 275 B I H < S+ 0 0 0 -4,-1.8 5,-0.3 2,-0.2 -1,-0.2 0.874 109.1 56.2 -73.4 -40.9 -57.9 16.8 78.7 590 276 B F H < S+ 0 0 39 -4,-1.5 3,-0.3 1,-0.2 -2,-0.2 0.733 114.4 40.8 -66.4 -22.4 -58.9 16.3 82.3 591 277 B T H < S+ 0 0 77 -4,-1.5 2,-1.4 1,-0.2 -2,-0.2 0.868 116.1 49.9 -83.1 -47.1 -62.5 16.4 81.2 592 278 B H S >< S- 0 0 70 -4,-2.2 2,-2.1 -5,-0.2 3,-1.6 -0.550 83.5-168.1 -91.2 68.3 -61.8 14.2 78.1 593 279 B Q T 3 S- 0 0 129 -2,-1.4 -3,-0.1 -3,-0.3 -85,-0.1 -0.350 73.9 -5.9 -69.0 79.0 -59.9 11.5 80.0 594 280 B G T 3 S+ 0 0 13 -2,-2.1 -272,-0.4 -5,-0.3 -1,-0.3 0.731 88.1 151.8 106.4 32.8 -58.4 9.6 77.2 595 281 B S < - 0 0 56 -3,-1.6 2,-1.2 -6,-0.2 -1,-0.1 -0.234 66.4 -85.6 -76.7 176.9 -59.8 11.1 74.0 596 282 B D S S+ 0 0 119 -2,-0.0 2,-0.3 -273,-0.0 -1,-0.1 -0.156 73.1 152.2 -81.8 43.8 -57.8 11.0 70.7 597 283 B F - 0 0 23 -2,-1.2 5,-0.0 -5,-0.2 -3,-0.0 -0.590 38.6-128.4 -78.1 135.3 -55.9 14.2 71.6 598 284 B G - 0 0 30 -2,-0.3 4,-0.4 1,-0.1 -100,-0.1 0.191 13.9-107.7 -76.8-169.9 -52.5 14.3 70.0 599 285 B P S >> S+ 0 0 15 0, 0.0 4,-2.0 0, 0.0 3,-0.8 0.882 115.8 51.5 -84.0 -47.4 -48.9 15.0 71.2 600 286 B I H 3> S+ 0 0 57 -249,-0.3 4,-1.8 1,-0.2 -101,-0.1 0.934 100.1 67.9 -51.7 -51.9 -48.5 18.5 69.7 601 287 B F H 34 S+ 0 0 75 1,-0.2 -1,-0.2 2,-0.2 -16,-0.1 0.771 112.2 27.6 -36.1 -47.5 -51.8 19.5 71.4 602 288 B 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4,-1.5 0.360 58.3 109.7 -82.4 3.1 -73.7 -25.6 72.7 928 298 C S H <> S+ 0 0 9 -3,-1.1 4,-0.6 1,-0.3 -1,-0.2 0.805 71.3 51.6 -46.1 -41.5 -75.7 -24.8 69.5 929 299 C A H 34 S+ 0 0 0 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.512 111.3 46.7 -81.3 -5.2 -74.4 -27.9 67.6 930 300 C V H <4 S+ 0 0 19 -3,-2.2 4,-0.4 2,-0.1 -2,-0.2 0.796 105.9 50.2-106.6 -38.7 -75.3 -30.4 70.4 931 301 C Y H X S+ 0 0 31 -4,-1.5 4,-1.1 1,-0.2 5,-0.2 0.626 92.8 79.2 -80.1 -13.5 -78.9 -29.6 71.5 932 302 C N H X S+ 0 0 25 -4,-0.6 4,-0.8 1,-0.2 -1,-0.2 0.942 101.5 31.3 -59.8 -53.1 -80.3 -29.5 67.9 933 303 C P H > S+ 0 0 6 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.549 107.6 70.2 -88.1 -5.9 -80.7 -33.3 67.3 934 304 C V H > S+ 0 0 56 -4,-0.4 4,-2.1 2,-0.2 3,-0.5 0.942 108.1 35.2 -73.2 -48.8 -81.4 -34.3 71.0 935 305 C I H X S+ 0 0 34 -4,-1.1 4,-0.8 2,-0.2 5,-0.4 0.775 111.5 64.1 -74.0 -28.2 -84.9 -32.7 71.0 936 306 C Y H < S+ 0 0 3 -4,-0.8 4,-0.4 -5,-0.2 8,-0.3 0.723 112.8 35.5 -63.2 -25.4 -85.2 -33.8 67.4 937 307 C I H < S+ 0 0 36 -4,-0.6 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S+ 0 0 25 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.945 108.6 44.9 -62.9 -49.2 -82.0 -43.7 64.1 948 318 C V H X S+ 0 0 82 -4,-1.1 4,-2.0 -3,-0.3 -1,-0.2 0.800 108.7 61.3 -64.8 -28.0 -82.4 -46.7 66.3 949 319 C T H X S+ 0 0 55 -4,-1.7 4,-1.3 2,-0.3 5,-0.4 0.908 110.1 36.8 -67.6 -48.0 -83.1 -48.9 63.2 950 320 C T H < S+ 0 0 33 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.878 119.8 52.6 -66.1 -39.8 -79.7 -48.2 61.6 951 321 C L H < S+ 0 0 102 -4,-2.4 -2,-0.3 -5,-0.3 -1,-0.2 0.776 104.7 58.2 -62.9 -31.7 -78.3 -48.3 65.1 952 322 C C H < S- 0 0 60 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.1 0.990 73.0-165.8 -59.1 -71.6 -79.9 -51.7 65.7 953 323 C C S < S+ 0 0 125 -4,-1.3 -3,-0.1 -5,-0.1 -4,-0.1 0.779 85.1 53.6 68.5 46.0 -78.4 -53.7 62.9 954 324 C G S S- 0 0 61 -5,-0.4 -4,-0.1 2,-0.0 -3,-0.0 0.106 85.0-172.8 158.7 62.2 -81.2 -56.3 63.7 955 325 C K - 0 0 133 -6,-0.1 -6,-0.0 1,-0.0 -5,-0.0 -0.071 13.9-171.5 -80.3 168.4 -84.5 -54.5 63.6 956 326 C N - 0 0 127 2,-0.0 2,-0.6 0, 0.0 -2,-0.0 -0.951 37.6 -84.6-150.1 165.6 -88.2 -55.4 64.5 957 327 C P + 0 0 108 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.656 44.0 179.2 -86.2 114.4 -91.6 -53.7 64.0 958 328 C L + 0 0 143 -2,-0.6 -13,-0.0 1,-0.1 -2,-0.0 -0.831 38.7 94.5-109.8 149.0 -92.7 -51.1 66.6 959 329 C G + 0 0 55 -2,-0.3 -1,-0.1 0, 0.0 0, 0.0 0.477 51.5 173.0 132.9 69.2 -95.9 -49.1 66.7 960 330 C D + 0 0 133 1,-0.0 -2,-0.0 2,-0.0 0, 0.0 0.712 31.7 17.9 -86.2-126.0 -98.5 -50.9 68.8 961 331 C D - 0 0 159 1,-0.1 2,-0.3 2,-0.0 -1,-0.0 0.148 61.8-132.2 -66.3 166.2 -102.0 -50.2 70.2 962 332 C E 0 0 178 1,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.815 360.0 360.0-125.1 147.7 -104.6 -47.6 69.1 963 333 C A 0 0 161 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 -0.268 360.0 360.0-163.5 360.0 -106.9 -44.9 70.4