==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-JUL-02 1M6Y . COMPND 2 MOLECULE: S-ADENOSYL-METHYLTRANSFERASE MRAW; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR D.J.MILLER,W.F.ANDERSON,MIDWEST CENTER FOR STRUCTURAL . 573 5 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28163.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 376 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 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 . 1 0.2 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 . 31 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 1 4 4 2 1 4 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 R 0 0 113 0, 0.0 4,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 125.6 -43.9 7.4 -0.3 2 3 A K + 0 0 153 2,-0.1 3,-0.1 3,-0.0 2,-0.1 0.698 360.0 80.3-116.9 -44.9 -46.1 5.4 -2.7 3 4 A Y S S- 0 0 66 1,-0.1 276,-0.1 277,-0.1 0, 0.0 -0.372 90.7 -99.3 -67.3 145.9 -45.7 1.8 -1.6 4 5 A S - 0 0 24 1,-0.1 -1,-0.1 2,-0.1 -2,-0.1 -0.243 16.9-133.5 -64.9 152.1 -47.8 0.7 1.4 5 6 A Q S S+ 0 0 177 -3,-0.1 2,-0.3 -4,-0.1 -1,-0.1 0.829 90.7 74.1 -74.0 -31.3 -46.2 0.6 4.8 6 7 A R S S- 0 0 191 1,-0.0 2,-0.7 101,-0.0 -2,-0.1 -0.635 85.4-127.8 -86.0 137.7 -47.7 -2.9 5.3 7 8 A H + 0 0 34 -2,-0.3 -2,-0.1 27,-0.0 99,-0.0 -0.774 32.7 179.2 -87.8 119.3 -46.3 -5.9 3.5 8 9 A I - 0 0 39 -2,-0.7 2,-0.2 -4,-0.1 29,-0.1 -0.981 29.6-120.1-125.7 127.6 -49.1 -7.7 1.6 9 10 A P > - 0 0 26 0, 0.0 3,-0.8 0, 0.0 2,-0.2 -0.423 36.8-113.5 -65.2 132.1 -48.6 -10.8 -0.6 10 11 A V T 3 S- 0 0 0 1,-0.2 5,-0.1 -2,-0.2 231,-0.0 -0.465 85.0 -13.4 -72.3 132.5 -49.8 -10.2 -4.1 11 12 A X T 3> S+ 0 0 1 -2,-0.2 4,-2.2 1,-0.1 -1,-0.2 0.862 75.2 169.2 45.4 49.6 -52.8 -12.1 -5.4 12 13 A V H <> S+ 0 0 40 -3,-0.8 4,-2.4 1,-0.2 5,-0.2 0.880 71.7 54.5 -58.7 -39.2 -52.8 -14.5 -2.4 13 14 A R H > S+ 0 0 182 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.911 110.2 45.3 -61.9 -42.7 -56.2 -15.9 -3.3 14 15 A E H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.864 110.4 54.9 -69.3 -36.5 -55.2 -16.7 -6.9 15 16 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.951 110.9 44.8 -60.8 -48.7 -51.9 -18.3 -5.6 16 17 A I H X S+ 0 0 25 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.934 112.1 54.2 -60.0 -45.9 -53.8 -20.6 -3.3 17 18 A E H < S+ 0 0 121 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.904 117.5 33.2 -55.6 -46.2 -56.3 -21.4 -6.0 18 19 A F H < S+ 0 0 30 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.773 119.5 49.3 -85.2 -26.9 -53.7 -22.5 -8.6 19 20 A L H < S- 0 0 1 -4,-2.6 218,-0.2 -5,-0.3 -2,-0.2 0.783 88.3-155.5 -81.1 -28.7 -51.1 -24.0 -6.2 20 21 A K < - 0 0 84 -4,-2.2 2,-0.4 -5,-0.3 -3,-0.1 0.922 8.1-162.1 53.9 53.4 -53.8 -26.1 -4.4 21 22 A P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.515 34.1 129.4 -67.0 123.5 -52.1 -26.5 -1.1 22 23 A E > + 0 0 86 -2,-0.4 3,-1.6 23,-0.1 23,-0.1 -0.973 49.2 9.1-164.6 170.5 -53.8 -29.4 0.7 23 24 A D T 3 S- 0 0 124 -2,-0.3 24,-0.3 1,-0.2 0, 0.0 -0.295 122.3 -34.8 52.4-121.7 -53.3 -32.7 2.5 24 25 A E T 3 S+ 0 0 164 24,-0.1 -1,-0.2 -2,-0.1 24,-0.1 -0.256 84.4 158.4-127.2 47.8 -49.5 -33.0 3.0 25 26 A K < - 0 0 34 -3,-1.6 24,-2.3 72,-0.1 2,-0.5 -0.350 37.5-133.8 -70.7 149.2 -48.0 -31.4 -0.1 26 27 A I E -a 49 0A 39 22,-0.2 71,-2.5 -2,-0.0 72,-1.2 -0.929 25.4-163.9-103.6 127.9 -44.4 -30.1 -0.0 27 28 A I E -ab 50 98A 1 22,-3.0 24,-2.5 -2,-0.5 2,-0.7 -0.937 13.8-149.7-119.1 133.5 -44.2 -26.6 -1.5 28 29 A L E -ab 51 99A 0 70,-3.0 72,-2.6 -2,-0.4 2,-0.9 -0.907 7.2-163.7-100.6 115.6 -41.1 -24.8 -2.7 29 30 A D E > -ab 52 100A 0 22,-2.6 24,-2.5 -2,-0.7 3,-0.7 -0.888 5.7-170.4 -98.9 101.1 -41.5 -21.0 -2.3 30 31 A C T 3 S+ 0 0 1 70,-2.5 51,-0.3 -2,-0.9 71,-0.2 0.589 82.1 30.9 -68.1 -16.0 -38.6 -19.8 -4.6 31 32 A T T 3 S+ 0 0 1 69,-0.4 -1,-0.3 23,-0.1 23,-0.2 -0.539 70.9 167.2-142.9 64.9 -38.9 -16.2 -3.5 32 33 A V X + 0 0 0 21,-2.5 3,-2.5 -3,-0.7 4,-0.3 0.812 14.3 166.2 -59.8 -31.5 -40.0 -16.4 0.1 33 34 A G T 3 S- 0 0 0 20,-0.3 30,-0.4 1,-0.3 -1,-0.2 -0.315 72.9 -12.9 56.9-131.1 -39.3 -12.8 0.8 34 35 A E T 3 S- 0 0 12 541,-1.3 -1,-0.3 28,-0.1 32,-0.1 0.336 102.6-103.3 -84.2 3.9 -40.9 -11.7 4.1 35 36 A G S <> S+ 0 0 1 -3,-2.5 4,-2.9 540,-0.3 5,-0.2 0.586 76.4 138.3 87.6 12.1 -43.0 -14.8 4.1 36 37 A G H > S+ 0 0 14 539,-1.8 4,-1.7 -4,-0.3 5,-0.1 0.937 77.0 34.9 -56.3 -55.5 -46.3 -13.4 2.9 37 38 A H H > S+ 0 0 0 -5,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.905 118.3 53.0 -67.5 -41.5 -47.4 -16.1 0.5 38 39 A S H > S+ 0 0 0 -6,-0.3 4,-2.5 1,-0.2 5,-0.2 0.906 107.1 51.7 -62.2 -40.9 -45.9 -18.9 2.6 39 40 A R H X S+ 0 0 87 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.935 110.2 49.3 -61.6 -42.6 -47.7 -17.7 5.7 40 41 A A H X S+ 0 0 17 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.891 111.1 49.8 -63.8 -38.7 -51.0 -17.8 3.8 41 42 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.926 111.2 48.5 -64.6 -44.7 -50.3 -21.3 2.5 42 43 A L H < S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.811 112.4 48.9 -66.5 -30.4 -49.5 -22.6 6.0 43 44 A E H < S+ 0 0 103 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.850 114.3 46.4 -76.0 -34.7 -52.7 -21.0 7.4 44 45 A H H < S+ 0 0 110 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.812 119.8 37.5 -76.1 -31.8 -54.7 -22.6 4.5 45 46 A a >< - 0 0 4 -4,-2.3 3,-0.8 -5,-0.1 -1,-0.2 -0.888 59.8-171.2-129.2 102.8 -53.2 -26.0 4.8 46 47 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.675 88.4 46.4 -64.7 -17.4 -52.3 -27.5 8.2 47 48 A G T 3 S+ 0 0 34 -24,-0.3 -5,-0.1 2,-0.0 -25,-0.1 0.562 86.9 106.9-103.7 -8.0 -50.5 -30.5 6.8 48 49 A a < - 0 0 1 -3,-0.8 2,-0.4 -7,-0.2 -22,-0.2 -0.202 54.7-146.8 -70.1 160.5 -48.3 -28.9 4.1 49 50 A R E -a 26 0A 99 -24,-2.3 -22,-3.0 2,-0.0 2,-0.4 -0.983 12.1-156.0-125.8 137.4 -44.5 -28.4 4.4 50 51 A I E -ac 27 74A 0 23,-2.7 25,-1.9 -2,-0.4 2,-0.6 -0.953 14.0-164.4-120.8 138.3 -42.7 -25.4 2.9 51 52 A I E -ac 28 75A 0 -24,-2.5 -22,-2.6 -2,-0.4 2,-0.5 -0.990 24.3-169.4-112.9 112.7 -39.1 -25.0 1.8 52 53 A G E -ac 29 76A 0 23,-2.9 25,-2.1 -2,-0.6 2,-0.3 -0.929 6.6-179.9-112.7 132.6 -38.7 -21.2 1.5 53 54 A I E + c 0 77A 0 -24,-2.5 -21,-2.5 -2,-0.5 -20,-0.3 -0.913 10.4 160.1-132.3 154.9 -35.6 -19.6 -0.1 54 55 A D E - c 0 78A 1 23,-1.5 25,-1.2 -2,-0.3 -23,-0.1 -0.965 37.9-134.6-160.7 161.4 -34.3 -16.2 -0.9 55 56 A V S S+ 0 0 25 -2,-0.3 2,-0.8 23,-0.2 76,-0.2 0.536 87.2 84.1 -98.8 -8.7 -31.0 -14.6 -1.7 56 57 A D >> - 0 0 1 1,-0.2 4,-1.8 74,-0.1 3,-0.7 -0.810 59.2-167.5 -96.8 102.4 -31.6 -11.6 0.7 57 58 A S H 3> S+ 0 0 50 -2,-0.8 4,-1.5 1,-0.2 -1,-0.2 0.836 84.9 61.5 -58.3 -30.2 -30.6 -12.6 4.3 58 59 A E H 3> S+ 0 0 58 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.878 105.9 43.2 -68.4 -35.4 -32.4 -9.6 5.7 59 60 A V H <> S+ 0 0 0 -3,-0.7 4,-2.9 1,-0.2 -1,-0.2 0.840 108.3 60.2 -77.5 -28.6 -35.8 -10.5 4.4 60 61 A L H X S+ 0 0 18 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.858 101.3 54.9 -63.3 -32.8 -35.2 -14.1 5.5 61 62 A R H X S+ 0 0 171 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.896 109.6 47.0 -64.5 -40.7 -34.8 -12.7 9.1 62 63 A I H X S+ 0 0 36 -4,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.932 112.4 49.1 -64.9 -47.0 -38.2 -11.1 8.7 63 64 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 -30,-0.4 -2,-0.2 0.890 106.0 56.9 -60.9 -39.2 -39.8 -14.3 7.3 64 65 A E H < S+ 0 0 139 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.906 112.9 40.6 -62.2 -37.4 -38.3 -16.4 10.1 65 66 A E H >< S+ 0 0 116 -4,-1.5 3,-1.3 1,-0.2 4,-0.2 0.929 115.3 50.6 -73.8 -44.3 -40.1 -14.2 12.7 66 67 A K H 3< S+ 0 0 113 -4,-2.8 3,-0.3 1,-0.3 -2,-0.2 0.831 114.7 43.6 -62.1 -33.8 -43.3 -13.9 10.7 67 68 A L T >< S+ 0 0 4 -4,-2.6 3,-2.7 -5,-0.2 -1,-0.3 0.311 79.1 117.7 -94.9 7.6 -43.6 -17.6 10.2 68 69 A K G X + 0 0 123 -3,-1.3 3,-1.4 1,-0.3 -1,-0.2 0.768 69.5 56.8 -43.3 -43.4 -42.6 -18.4 13.9 69 70 A E G 3 S+ 0 0 125 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.611 113.0 41.8 -71.9 -9.9 -45.9 -20.1 14.7 70 71 A F G X> S+ 0 0 29 -3,-2.7 3,-2.7 1,-0.1 4,-0.8 0.120 75.1 126.0-118.8 17.9 -45.4 -22.6 11.8 71 72 A S T <4 + 0 0 76 -3,-1.4 3,-0.2 1,-0.3 -2,-0.1 0.697 67.5 60.6 -54.2 -24.2 -41.7 -23.2 12.4 72 73 A D T 34 S+ 0 0 163 1,-0.2 -1,-0.3 -4,-0.1 3,-0.1 0.650 113.2 37.3 -78.4 -12.0 -42.2 -27.0 12.5 73 74 A R T <4 S+ 0 0 56 -3,-2.7 -23,-2.7 1,-0.1 2,-0.4 0.400 112.3 56.0-119.0 -1.1 -43.5 -27.0 9.0 74 75 A V E < -c 50 0A 12 -4,-0.8 2,-0.4 -25,-0.2 -23,-0.2 -0.999 56.2-172.0-135.3 139.6 -41.5 -24.4 7.2 75 76 A S E -c 51 0A 50 -25,-1.9 -23,-2.9 -2,-0.4 2,-0.4 -0.968 12.1-148.5-126.7 143.6 -37.7 -24.1 6.8 76 77 A L E -c 52 0A 38 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.907 14.6-179.6-118.8 143.8 -35.8 -21.2 5.3 77 78 A F E -c 53 0A 54 -25,-2.1 -23,-1.5 -2,-0.4 2,-1.0 -0.989 30.3-128.1-142.2 147.2 -32.5 -21.1 3.3 78 79 A K E +c 54 0A 92 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.812 63.7 116.3 -95.7 98.8 -30.4 -18.5 1.7 79 80 A V - 0 0 34 -25,-1.2 2,-0.2 -2,-1.0 -2,-0.1 -0.971 67.4-103.9-161.7 146.9 -29.9 -19.8 -1.8 80 81 A S > - 0 0 23 -2,-0.3 3,-2.3 1,-0.1 -49,-0.1 -0.501 32.1-122.5 -70.9 144.2 -30.8 -18.8 -5.3 81 82 A Y G > S+ 0 0 13 -51,-0.3 3,-1.8 1,-0.3 4,-0.4 0.745 109.1 76.3 -61.5 -15.8 -33.7 -20.7 -6.8 82 83 A R G 3 S+ 0 0 65 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.794 102.0 39.4 -62.6 -24.7 -31.3 -21.7 -9.5 83 84 A E G <> S+ 0 0 97 -3,-2.3 4,-1.9 1,-0.1 -1,-0.3 0.146 82.0 110.3-108.1 17.4 -29.8 -24.1 -7.0 84 85 A A H <> S+ 0 0 0 -3,-1.8 4,-2.7 1,-0.2 5,-0.2 0.849 70.2 64.6 -60.9 -33.6 -33.1 -25.2 -5.5 85 86 A D H > S+ 0 0 36 -4,-0.4 4,-1.7 -3,-0.2 -1,-0.2 0.943 108.6 36.6 -57.5 -50.5 -32.7 -28.6 -7.0 86 87 A F H > S+ 0 0 137 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.814 111.7 60.0 -73.4 -28.8 -29.6 -29.5 -5.0 87 88 A L H X S+ 0 0 24 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.974 107.0 47.7 -59.6 -49.1 -30.9 -27.7 -1.9 88 89 A L H ><>S+ 0 0 1 -4,-2.7 5,-2.8 1,-0.2 3,-1.0 0.921 109.3 53.5 -57.1 -43.7 -33.9 -30.1 -2.0 89 90 A K H ><5S+ 0 0 81 -4,-1.7 3,-1.8 1,-0.3 -1,-0.2 0.902 103.5 55.3 -59.1 -40.3 -31.5 -33.1 -2.4 90 91 A T H 3<5S+ 0 0 114 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.727 108.8 50.3 -65.9 -18.3 -29.5 -32.1 0.6 91 92 A L T <<5S- 0 0 55 -3,-1.0 -1,-0.3 -4,-1.0 -2,-0.2 0.420 123.1-107.2 -95.7 -2.4 -32.8 -32.2 2.5 92 93 A G T < 5S+ 0 0 67 -3,-1.8 2,-0.5 -4,-0.3 -3,-0.2 0.643 80.0 128.6 86.2 16.6 -33.7 -35.7 1.2 93 94 A I < + 0 0 12 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.2 -0.919 30.7 174.5-111.4 124.5 -36.4 -34.3 -1.2 94 95 A E S S+ 0 0 109 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.779 70.2 9.8 -95.7 -33.1 -36.3 -35.2 -4.9 95 96 A K - 0 0 83 -7,-0.1 -1,-0.3 -6,-0.0 2,-0.3 -0.969 63.1-148.6-145.1 159.8 -39.6 -33.6 -6.0 96 97 A V E - d 0 232A 0 135,-3.3 137,-2.4 -2,-0.3 -69,-0.2 -0.811 18.8-132.8-126.2 168.3 -42.2 -31.2 -4.7 97 98 A D E S+ 0 0 34 -71,-2.5 140,-2.1 -2,-0.3 2,-0.3 0.573 88.2 24.5 -96.5 -12.4 -45.9 -30.8 -5.2 98 99 A G E -bd 27 237A 1 -72,-1.2 -70,-3.0 138,-0.2 2,-0.4 -0.994 55.4-165.1-155.2 145.6 -45.9 -27.1 -5.7 99 100 A I E -bd 28 238A 0 138,-2.2 140,-2.9 -2,-0.3 2,-0.4 -0.998 12.5-171.0-132.4 126.2 -43.5 -24.3 -6.9 100 101 A L E -bd 29 239A 0 -72,-2.6 -70,-2.5 -2,-0.4 -69,-0.4 -0.970 4.9-179.1-121.6 134.3 -44.3 -20.7 -6.3 101 102 A X E - d 0 240A 0 138,-2.1 140,-2.6 -2,-0.4 2,-0.5 -0.999 9.2-177.1-132.9 132.4 -42.4 -17.7 -7.7 102 103 A D E - d 0 241A 0 -2,-0.4 2,-0.2 138,-0.2 140,-0.2 -0.948 11.9-165.0-126.5 102.2 -43.1 -14.0 -7.0 103 104 A L + 0 0 9 138,-2.9 140,-0.3 -2,-0.5 139,-0.1 0.033 51.9 89.9 -85.8 31.3 -40.7 -12.0 -9.1 104 105 A G S S- 0 0 10 -2,-0.2 2,-0.4 -73,-0.1 -2,-0.1 0.192 80.4 -83.2 -99.7-142.5 -41.0 -8.5 -7.6 105 106 A V - 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0 0 62 79,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.581 55.1-175.8 -79.4 123.1 -21.9 -5.6 -8.4 136 137 A T > - 0 0 24 -2,-0.5 4,-2.2 1,-0.1 -10,-0.2 -0.736 39.7-114.2-111.0 161.1 -23.9 -2.5 -7.3 137 138 A A H > S+ 0 0 0 -11,-2.3 4,-3.0 -2,-0.3 5,-0.2 0.897 117.7 57.2 -60.5 -37.5 -26.2 -0.2 -9.3 138 139 A Q H > S+ 0 0 70 -13,-2.2 4,-2.5 1,-0.2 38,-0.2 0.944 107.1 45.9 -58.9 -48.2 -23.6 2.5 -8.6 139 140 A K H > S+ 0 0 98 -14,-0.2 4,-2.1 2,-0.2 5,-0.4 0.903 114.4 49.0 -61.2 -41.7 -20.8 0.6 -10.2 140 141 A V H X S+ 0 0 6 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.936 113.4 46.0 -63.3 -47.8 -23.0 -0.4 -13.2 141 142 A L H < S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.844 120.4 38.6 -67.5 -32.7 -24.2 3.2 -13.7 142 143 A N H < S+ 0 0 35 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.696 127.5 27.3 -92.5 -18.0 -20.7 4.7 -13.4 143 144 A E H < S+ 0 0 121 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.686 85.7 102.5-119.6 -21.8 -18.6 2.1 -15.3 144 145 A L S < S- 0 0 25 -4,-1.8 5,-0.1 -5,-0.4 -4,-0.0 -0.349 81.7 -97.0 -66.6 147.0 -20.6 0.2 -17.9 145 146 A P >> - 0 0 80 0, 0.0 4,-1.9 0, 0.0 3,-0.6 -0.315 34.2-119.0 -59.2 145.6 -20.0 1.1 -21.5 146 147 A E H 3> S+ 0 0 52 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.865 112.7 55.8 -57.2 -37.5 -22.7 3.5 -22.7 147 148 A E H 3> S+ 0 0 111 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.848 107.0 50.2 -67.0 -30.9 -24.0 1.1 -25.4 148 149 A E H <> S+ 0 0 73 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.883 109.0 51.0 -74.0 -37.0 -24.5 -1.6 -22.8 149 150 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.914 110.2 50.9 -62.8 -41.5 -26.4 0.8 -20.5 150 151 A A H X S+ 0 0 7 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.920 110.1 49.1 -61.6 -42.6 -28.6 1.6 -23.6 151 152 A R H X S+ 0 0 144 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.922 112.0 49.0 -62.0 -45.4 -29.1 -2.1 -24.2 152 153 A I H X>S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 5,-1.2 0.923 112.0 47.1 -60.4 -46.5 -30.1 -2.7 -20.6 153 154 A I H <5S+ 0 0 0 -4,-2.6 6,-1.7 3,-0.2 4,-0.2 0.868 116.6 45.3 -67.5 -34.5 -32.6 0.2 -20.4 154 155 A F H X5S+ 0 0 111 -4,-2.1 4,-0.7 -5,-0.2 -2,-0.2 0.965 123.3 32.6 -70.7 -52.3 -34.1 -0.9 -23.7 155 156 A E H <5S+ 0 0 55 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.929 133.1 25.4 -74.8 -48.9 -34.4 -4.6 -22.9 156 157 A Y T <5S+ 0 0 23 -4,-2.6 -3,-0.2 -5,-0.3 -1,-0.1 0.785 129.1 41.8 -89.1 -29.3 -35.0 -4.7 -19.2 157 158 A G T 4 + 0 0 5 -6,-1.7 4,-0.9 1,-0.2 -1,-0.2 -0.746 16.0 177.4 -89.7 88.2 -37.9 2.1 -22.8 160 161 A K T 4 S+ 0 0 162 -2,-1.5 -1,-0.2 1,-0.1 -6,-0.1 0.563 72.9 23.1 -74.8 -9.4 -38.5 1.4 -26.5 161 162 A R T 4 S+ 0 0 212 -3,-0.1 3,-0.3 -7,-0.0 4,-0.2 0.683 126.7 38.8-122.2 -40.0 -37.9 5.0 -27.6 162 163 A F T > S+ 0 0 26 1,-0.2 4,-2.5 2,-0.1 5,-0.3 0.338 76.5 108.0-101.0 9.5 -35.8 6.8 -25.0 163 164 A A H X S+ 0 0 6 -4,-0.9 4,-2.4 1,-0.2 5,-0.2 0.897 82.5 47.1 -52.9 -47.5 -33.2 4.1 -24.0 164 165 A R H > S+ 0 0 144 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.907 113.0 48.0 -64.5 -40.4 -30.3 5.7 -25.8 165 166 A R H > S+ 0 0 117 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.886 111.2 50.8 -68.8 -36.1 -31.0 9.2 -24.5 166 167 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.935 110.5 49.5 -66.1 -42.8 -31.4 7.9 -20.9 167 168 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.924 110.7 51.3 -60.8 -41.6 -28.1 6.1 -21.2 168 169 A R H X S+ 0 0 93 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.922 110.4 47.5 -61.7 -44.0 -26.5 9.3 -22.5 169 170 A K H X S+ 0 0 35 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.837 108.8 54.5 -68.3 -31.9 -27.8 11.4 -19.6 170 171 A I H >< S+ 0 0 0 -4,-2.2 3,-0.6 2,-0.2 4,-0.3 0.964 111.1 45.2 -64.2 -49.3 -26.6 8.8 -17.1 171 172 A V H >< S+ 0 0 29 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.924 111.1 53.8 -59.4 -41.4 -23.1 9.0 -18.6 172 173 A E H 3< S+ 0 0 98 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.780 108.1 51.4 -64.9 -23.8 -23.4 12.8 -18.6 173 174 A N T << S+ 0 0 29 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.357 92.0 170.6 -94.2 4.7 -24.3 12.8 -14.9 174 175 A R < + 0 0 79 -3,-1.5 2,-0.1 -4,-0.3 -32,-0.0 -0.346 52.2 46.4 -65.2 143.7 -21.3 10.6 -13.8 175 176 A P S S- 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.452 77.1-171.8 -85.0 137.9 -20.4 9.9 -11.1 176 177 A L + 0 0 0 -38,-0.2 -34,-0.1 1,-0.1 3,-0.1 -0.708 13.1 167.6 -88.9 146.4 -23.8 9.1 -9.8 177 178 A N + 0 0 85 -2,-0.3 -52,-1.2 1,-0.3 2,-0.3 0.636 53.9 32.2-127.7 -32.4 -24.1 8.5 -6.1 178 179 A T B >> S-H 124 0B 23 -54,-0.2 4,-1.4 1,-0.1 3,-1.0 -0.810 79.9-102.6-129.7 169.8 -27.7 8.4 -5.0 179 180 A T H 3> S+ 0 0 0 -56,-2.5 4,-2.2 -2,-0.3 5,-0.2 0.833 121.0 57.6 -56.4 -35.1 -31.2 7.6 -6.1 180 181 A L H 3> S+ 0 0 79 -57,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.813 100.8 56.5 -69.5 -27.2 -31.8 11.3 -6.7 181 182 A D H <> S+ 0 0 49 -3,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.880 108.8 46.6 -69.0 -38.2 -28.8 11.4 -9.1 182 183 A L H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 5,-0.2 0.915 110.4 52.0 -70.3 -41.2 -30.4 8.6 -11.2 183 184 A V H X S+ 0 0 17 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.912 107.9 53.5 -59.7 -40.7 -33.8 10.4 -11.2 184 185 A K H X S+ 0 0 96 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.907 108.0 50.2 -59.2 -44.3 -32.1 13.6 -12.4 185 186 A A H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.921 112.5 45.5 -62.0 -46.2 -30.5 11.7 -15.4 186 187 A V H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 3,-0.4 0.919 111.4 53.4 -65.8 -39.3 -33.8 10.2 -16.4 187 188 A R H < S+ 0 0 131 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.890 107.9 50.2 -61.5 -40.7 -35.6 13.6 -16.0 188 189 A E H < S+ 0 0 75 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.752 109.3 53.4 -69.4 -22.7 -33.0 15.3 -18.3 189 190 A A H < S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.739 101.5 66.5 -83.5 -24.7 -33.5 12.5 -20.9 190 191 A L S < S- 0 0 8 -4,-1.3 5,-0.0 -3,-0.3 -1,-0.0 -0.853 82.4-122.9-106.1 133.5 -37.3 12.9 -21.1 191 192 A P >> - 0 0 42 0, 0.0 4,-1.9 0, 0.0 3,-1.0 -0.329 30.4-110.4 -66.0 152.8 -39.2 15.9 -22.5 192 193 A S H 3> S+ 0 0 80 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.877 118.7 54.0 -52.3 -42.8 -41.7 17.5 -20.2 193 194 A Y H 3> S+ 0 0 149 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.832 107.9 50.9 -63.9 -29.8 -44.7 16.3 -22.2 194 195 A E H <> S+ 0 0 11 -3,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.871 109.2 49.6 -74.1 -39.0 -43.4 12.7 -22.0 195 196 A I H < S+ 0 0 35 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.939 114.1 45.6 -64.7 -44.9 -43.1 12.9 -18.2 196 197 A R H < S+ 0 0 209 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.851 109.1 57.0 -66.6 -33.2 -46.6 14.3 -17.9 197 198 A R H < S+ 0 0 165 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.812 88.8 92.2 -67.9 -33.1 -48.0 11.7 -20.3 198 199 A R < - 0 0 40 -4,-1.4 4,-0.1 -3,-0.3 -4,-0.0 -0.373 64.2-150.7 -69.2 142.5 -46.7 8.7 -18.4 199 200 A K S S+ 0 0 178 -2,-0.1 2,-0.1 2,-0.1 -1,-0.1 0.953 82.5 50.0 -73.7 -53.7 -49.0 7.0 -15.8 200 201 A R S S- 0 0 82 1,-0.2 5,-0.1 2,-0.1 -2,-0.0 -0.479 111.8 -74.8 -85.8 156.9 -46.2 5.8 -13.5 201 202 A H > - 0 0 79 1,-0.1 3,-2.0 -2,-0.1 4,-0.3 -0.244 48.4-119.3 -50.2 135.8 -43.3 8.0 -12.3 202 203 A F T 3 S+ 0 0 9 1,-0.3 4,-0.3 2,-0.1 3,-0.3 0.682 109.1 54.8 -54.8 -25.3 -40.9 8.6 -15.2 203 204 A A T 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.552 80.9 95.2 -88.4 -6.4 -37.9 6.9 -13.5 204 205 A T H <> S+ 0 0 33 -3,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.898 84.5 44.5 -49.1 -54.4 -39.7 3.6 -12.8 205 206 A K H > S+ 0 0 51 -4,-0.3 4,-2.3 -3,-0.3 -1,-0.2 0.860 112.6 50.1 -64.3 -38.0 -38.5 1.7 -15.9 206 207 A T H > S+ 0 0 0 -4,-0.3 4,-2.1 2,-0.2 5,-0.2 0.919 111.1 49.0 -68.3 -43.4 -34.9 2.8 -15.6 207 208 A F H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.929 112.4 49.7 -60.6 -41.5 -34.7 1.8 -12.0 208 209 A Q H X S+ 0 0 24 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.915 108.1 53.5 -63.5 -42.2 -36.2 -1.5 -12.8 209 210 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.919 111.2 44.4 -57.1 -49.3 -33.8 -2.1 -15.7 210 211 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.908 113.0 52.5 -65.2 -42.0 -30.7 -1.5 -13.5 211 212 A R H X S+ 0 0 27 -4,-2.3 4,-2.4 -5,-0.2 6,-0.2 0.937 109.2 48.4 -58.6 -49.0 -32.2 -3.7 -10.7 212 213 A I H X>S+ 0 0 0 -4,-2.6 5,-1.7 1,-0.2 4,-0.6 0.920 114.0 47.5 -59.1 -43.4 -32.9 -6.6 -13.0 213 214 A Y H ><5S+ 0 0 66 -4,-2.0 3,-1.0 -5,-0.2 -2,-0.2 0.945 111.6 49.0 -63.2 -49.3 -29.3 -6.4 -14.4 214 215 A V H 3<5S+ 0 0 12 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.871 120.5 37.4 -58.9 -37.6 -27.7 -6.1 -11.0 215 216 A N H 3<5S- 0 0 22 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.330 101.1-129.5-101.7 9.7 -29.6 -9.1 -9.7 216 217 A R T < + 0 0 11 -5,-1.7 4,-1.8 -6,-0.2 5,-0.1 0.851 66.0 43.6 -60.9 -40.3 -33.3 -11.6 -12.6 218 219 A L H > S+ 0 0 2 -6,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.914 115.6 47.3 -73.7 -43.6 -34.1 -12.4 -16.2 219 220 A E H > S+ 0 0 79 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.912 113.0 50.2 -62.9 -44.6 -31.2 -14.8 -16.7 220 221 A N H X S+ 0 0 27 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.927 111.1 48.3 -60.2 -46.3 -32.0 -16.6 -13.5 221 222 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.2 5,-0.2 0.935 111.6 49.5 -60.4 -47.7 -35.7 -17.0 -14.4 222 223 A K H X S+ 0 0 86 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.921 113.3 45.8 -59.4 -45.2 -34.9 -18.3 -17.8 223 224 A E H X S+ 0 0 69 -4,-2.4 4,-0.6 1,-0.2 3,-0.2 0.901 114.8 46.8 -66.9 -40.4 -32.4 -20.9 -16.5 224 225 A F H >X S+ 0 0 0 -4,-2.5 4,-1.2 -5,-0.2 3,-1.1 0.927 107.8 56.0 -67.6 -43.9 -34.7 -22.1 -13.7 225 226 A L H 3< S+ 0 0 3 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.780 93.9 70.0 -60.1 -27.3 -37.8 -22.4 -15.9 226 227 A K H 3< S+ 0 0 139 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.875 119.2 15.4 -59.1 -38.4 -35.9 -24.7 -18.3 227 228 A K H X< S+ 0 0 55 -3,-1.1 3,-1.5 -4,-0.6 4,-0.4 0.341 90.5 106.5-120.6 7.5 -35.9 -27.5 -15.7 228 229 A A G >< S+ 0 0 2 -4,-1.2 3,-2.2 1,-0.3 4,-0.4 0.882 77.2 63.9 -54.3 -38.4 -38.5 -26.5 -13.1 229 230 A E G > S+ 0 0 32 -4,-0.5 3,-1.3 1,-0.3 -1,-0.3 0.812 92.1 63.8 -56.0 -31.7 -40.8 -29.2 -14.5 230 231 A D G < S+ 0 0 75 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.633 96.5 58.2 -69.2 -14.0 -38.3 -31.8 -13.4 231 232 A L G < S+ 0 0 8 -3,-2.2 -135,-3.3 -4,-0.4 2,-0.4 0.548 89.7 95.6 -91.5 -8.1 -38.8 -30.9 -9.7 232 233 A L E < -d 96 0A 1 -3,-1.3 -135,-0.2 -4,-0.4 3,-0.1 -0.682 66.9-138.4 -93.8 136.2 -42.6 -31.5 -9.8 233 234 A N E > - 0 0 51 -137,-2.4 3,-2.5 -2,-0.4 59,-0.3 -0.355 54.4 -70.7 -74.2 164.5 -44.4 -34.7 -8.8 234 235 A P E 3 S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 59,-0.2 -0.336 127.9 19.0 -57.9 139.2 -47.2 -35.8 -11.1 235 236 A G E 3 S+ 0 0 36 57,-2.0 58,-0.1 1,-0.2 -138,-0.1 0.378 93.7 148.3 80.6 -7.3 -50.1 -33.4 -10.7 236 237 A G E < - 0 0 2 -3,-2.5 56,-2.7 -140,-0.1 2,-0.4 -0.202 38.4-136.6 -61.0 153.9 -47.7 -30.8 -9.2 237 238 A R E -dE 98 291A 28 -140,-2.1 -138,-2.2 -218,-0.2 2,-0.5 -0.909 12.8-164.2-117.5 140.1 -48.4 -27.1 -9.7 238 239 A I E -dE 99 290A 0 52,-2.5 52,-2.1 -2,-0.4 2,-0.4 -0.992 11.0-173.9-122.2 129.6 -46.1 -24.2 -10.6 239 240 A V E -dE 100 289A 0 -140,-2.9 -138,-2.1 -2,-0.5 2,-0.4 -0.990 1.2-175.3-125.5 130.4 -47.4 -20.7 -10.1 240 241 A V E -dE 101 288A 1 48,-2.7 48,-2.6 -2,-0.4 2,-0.5 -0.993 10.5-165.8-131.6 131.8 -45.4 -17.6 -11.2 241 242 A I E -dE 102 287A 0 -140,-2.6 -138,-2.9 -2,-0.4 2,-0.3 -0.975 16.4-178.9-114.2 121.6 -46.2 -14.0 -10.7 242 243 A S E - E 0 286A 1 44,-2.6 44,-2.2 -2,-0.5 -138,-0.1 -0.776 25.5-161.5-116.1 165.2 -44.2 -11.5 -12.8 243 244 A F S S+ 0 0 24 -2,-0.3 2,-0.3 -140,-0.3 42,-0.2 -0.229 73.0 71.6-136.1 39.8 -44.3 -7.7 -12.9 244 245 A H S > S- 0 0 4 40,-0.1 4,-2.4 42,-0.1 3,-0.3 -0.913 73.9-134.9-159.6 127.6 -42.6 -7.3 -16.3 245 246 A S H > S+ 0 0 51 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.868 106.1 51.3 -52.8 -44.7 -43.9 -8.1 -19.8 246 247 A L H > S+ 0 0 25 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.894 110.7 47.7 -64.1 -40.0 -40.7 -9.8 -20.9 247 248 A E H > S+ 0 0 2 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.931 111.5 51.1 -66.3 -42.9 -40.7 -12.1 -17.9 248 249 A D H X S+ 0 0 11 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.901 108.7 51.7 -59.7 -40.9 -44.3 -12.9 -18.4 249 250 A R H X S+ 0 0 129 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.902 109.6 50.1 -62.7 -41.2 -43.6 -13.8 -22.1 250 251 A I H X S+ 0 0 16 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.918 112.3 46.5 -64.0 -43.5 -40.8 -16.1 -21.0 251 252 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.968 112.7 49.7 -63.5 -51.2 -43.1 -17.8 -18.5 252 253 A K H X S+ 0 0 49 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.923 113.6 45.7 -51.6 -50.8 -46.0 -18.2 -21.0 253 254 A E H X S+ 0 0 81 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.869 111.6 51.7 -63.6 -38.9 -43.7 -19.6 -23.7 254 255 A T H X S+ 0 0 35 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.949 112.9 44.7 -64.1 -48.2 -42.0 -22.0 -21.2 255 256 A F H < S+ 0 0 1 -4,-2.8 6,-0.2 2,-0.2 8,-0.2 0.937 117.6 44.7 -61.7 -46.6 -45.3 -23.4 -20.0 256 257 A R H < S+ 0 0 111 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.947 116.8 42.9 -62.6 -52.7 -46.8 -23.7 -23.6 257 258 A N H < S+ 0 0 115 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.741 90.6 104.9 -68.8 -24.0 -43.7 -25.3 -25.2 258 259 A S < - 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0 0 29 -2,-0.3 2,-0.1 12,-0.0 -2,-0.0 -0.943 47.1-123.2-113.4 132.3 25.9 -9.0 -11.5 394 107 B S > - 0 0 2 -2,-0.4 4,-2.0 1,-0.1 3,-0.2 -0.394 21.3-119.4 -71.8 151.9 25.2 -5.4 -12.5 395 108 B T H > S+ 0 0 50 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.873 114.8 54.4 -58.5 -37.9 22.7 -4.8 -15.3 396 109 B Y H >>S+ 0 0 94 2,-0.2 4,-2.9 1,-0.2 5,-1.0 0.870 106.1 51.1 -65.2 -37.9 25.4 -3.1 -17.4 397 110 B Q H >5S+ 0 0 1 -3,-0.2 6,-0.5 3,-0.2 4,-0.5 0.916 113.9 46.4 -64.8 -40.7 27.7 -6.2 -17.1 398 111 B L H <5S+ 0 0 45 -4,-2.0 8,-0.4 1,-0.1 -2,-0.2 0.909 129.7 18.7 -67.5 -44.9 24.8 -8.3 -18.2 399 112 B K H <5S+ 0 0 142 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.635 129.5 34.8-107.4 -15.1 23.7 -6.3 -21.2 400 113 B G H <5S+ 0 0 36 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.637 100.2 64.1-117.8 -12.9 26.5 -3.9 -22.2 401 114 B E S < S- 0 0 36 -74,-0.1 3,-1.7 1,-0.1 -1,-0.2 -0.920 70.9-163.4-112.2 105.4 37.9 -8.3 -13.6 419 132 B L T 3 S+ 0 0 59 -2,-0.6 -1,-0.1 -76,-0.3 -75,-0.1 0.630 88.2 67.6 -62.8 -12.0 39.5 -7.9 -17.1 420 133 B E T 3 S+ 0 0 132 -77,-0.3 -1,-0.3 -3,-0.0 2,-0.1 0.763 82.2 91.3 -79.2 -25.1 42.9 -8.2 -15.4 421 134 B S < - 0 0 35 -3,-1.7 -5,-0.1 1,-0.1 82,-0.0 -0.361 65.1-152.7 -69.6 150.1 42.2 -11.9 -14.6 422 135 B E + 0 0 134 -2,-0.1 2,-0.7 2,-0.0 -1,-0.1 0.573 67.9 98.2 -98.1 -13.8 43.3 -14.5 -17.0 423 136 B V + 0 0 65 79,-0.1 2,-0.2 4,-0.1 -2,-0.1 -0.678 52.9 176.5 -81.0 114.8 40.7 -17.1 -16.0 424 137 B T > - 0 0 15 -2,-0.7 4,-2.1 1,-0.1 5,-0.2 -0.738 44.3-112.8-112.9 164.9 37.7 -17.0 -18.4 425 138 B A H > S+ 0 0 0 -11,-2.3 4,-3.1 -2,-0.2 5,-0.3 0.910 117.5 57.8 -61.5 -39.9 34.5 -19.1 -18.7 426 139 B Q H > S+ 0 0 72 -13,-2.2 4,-1.9 1,-0.2 38,-0.2 0.900 106.2 46.8 -57.6 -44.6 35.8 -20.5 -22.0 427 140 B K H > S+ 0 0 95 -14,-0.2 4,-2.2 2,-0.2 5,-0.4 0.936 114.5 47.0 -65.0 -45.1 39.0 -21.8 -20.4 428 141 B V H X S+ 0 0 11 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.941 114.5 46.8 -61.3 -47.9 37.2 -23.4 -17.5 429 142 B L H < S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.808 119.6 39.6 -66.3 -29.1 34.6 -25.0 -19.8 430 143 B N H < S+ 0 0 37 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.691 126.1 31.6 -94.5 -17.9 37.2 -26.3 -22.2 431 144 B E H < S+ 0 0 140 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.693 90.0 94.4-111.9 -26.9 39.9 -27.4 -19.8 432 145 B L S < S- 0 0 29 -4,-2.2 5,-0.0 -5,-0.4 -4,-0.0 -0.520 77.1-115.0 -75.3 131.8 38.2 -28.6 -16.5 433 146 B P > - 0 0 65 0, 0.0 4,-2.4 0, 0.0 3,-0.3 -0.261 28.7-106.7 -62.5 154.7 37.6 -32.3 -16.3 434 147 B E H > S+ 0 0 50 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.846 115.9 52.6 -49.6 -46.7 34.0 -33.5 -16.2 435 148 B E H > S+ 0 0 132 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.908 113.2 42.9 -60.2 -45.2 34.0 -34.5 -12.5 436 149 B E H > S+ 0 0 101 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.861 114.3 51.7 -69.0 -36.8 35.3 -31.1 -11.3 437 150 B L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.934 108.1 51.9 -65.5 -45.1 33.0 -29.3 -13.7 438 151 B A H X S+ 0 0 8 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.881 106.7 53.7 -59.6 -37.7 30.0 -31.3 -12.3 439 152 B R H X S+ 0 0 162 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.893 108.4 49.3 -64.7 -39.5 30.9 -30.3 -8.8 440 153 B I H X>S+ 0 0 13 -4,-1.6 4,-2.9 2,-0.2 5,-0.9 0.932 113.3 46.1 -63.3 -45.1 31.0 -26.6 -9.6 441 154 B I H X>S+ 0 0 0 -4,-2.3 6,-1.7 3,-0.2 5,-0.7 0.888 116.2 46.6 -65.9 -37.9 27.5 -26.9 -11.4 442 155 B F H <5S+ 0 0 104 -4,-2.6 4,-0.2 4,-0.2 -2,-0.2 0.934 122.6 33.7 -68.0 -47.8 26.2 -28.9 -8.4 443 156 B E H <5S+ 0 0 67 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.911 132.1 24.9 -77.7 -47.3 27.6 -26.6 -5.7 444 157 B Y H <5S+ 0 0 18 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.708 131.5 37.5 -94.1 -24.4 27.4 -23.1 -7.3 445 158 B G T < + 0 0 5 -6,-1.7 4,-1.0 1,-0.2 -1,-0.2 -0.767 15.7 174.2 -90.1 84.8 21.7 -28.3 -10.3 448 161 B K T 4 + 0 0 145 -2,-1.5 -1,-0.2 1,-0.2 -6,-0.1 0.650 69.5 30.7 -74.8 -13.3 21.3 -31.0 -7.7 449 162 B R T 4 S+ 0 0 217 -3,-0.1 -1,-0.2 2,-0.0 4,-0.2 0.745 126.7 32.5-112.3 -34.9 20.0 -33.6 -10.1 450 163 B F T > S+ 0 0 21 1,-0.1 4,-2.3 2,-0.1 5,-0.2 0.307 76.2 110.9-111.8 9.7 21.5 -33.0 -13.5 451 164 B A H X S+ 0 0 7 -4,-1.0 4,-2.7 1,-0.2 5,-0.2 0.877 82.3 49.3 -52.6 -44.8 25.0 -31.6 -12.8 452 165 B R H > S+ 0 0 199 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 111.4 48.2 -64.7 -42.1 26.8 -34.7 -14.1 453 166 B R H > S+ 0 0 141 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.874 113.0 48.6 -65.4 -38.3 24.8 -34.8 -17.3 454 167 B I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.944 111.3 49.4 -66.7 -46.7 25.4 -31.1 -17.9 455 168 B A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.923 111.3 50.9 -56.5 -44.9 29.2 -31.5 -17.3 456 169 B R H X S+ 0 0 108 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.911 110.1 47.8 -60.6 -44.1 29.3 -34.4 -19.7 457 170 B K H X S+ 0 0 62 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.847 108.6 55.1 -67.2 -33.4 27.5 -32.6 -22.5 458 171 B I H >< S+ 0 0 0 -4,-2.3 3,-0.6 2,-0.2 4,-0.3 0.966 110.9 45.3 -62.6 -48.8 29.8 -29.6 -22.0 459 172 B V H >< S+ 0 0 33 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.916 111.2 52.8 -60.3 -43.4 32.8 -31.9 -22.4 460 173 B E H 3< S+ 0 0 92 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.754 108.7 51.1 -64.9 -23.7 31.2 -33.6 -25.5 461 174 B N T << S+ 0 0 38 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.345 92.2 173.9 -95.4 4.7 30.6 -30.3 -27.2 462 175 B R < + 0 0 79 -3,-1.4 2,-0.1 -4,-0.3 -32,-0.1 -0.289 50.2 51.3 -62.1 145.6 34.2 -29.0 -26.8 463 176 B P S S- 0 0 91 0, 0.0 2,-0.4 0, 0.0 -33,-0.1 0.450 72.9-170.6 -83.9 142.5 35.5 -26.6 -27.8 464 177 B L + 0 0 0 -38,-0.2 -34,-0.1 1,-0.1 3,-0.1 -0.797 15.5 163.3 -93.4 141.0 32.9 -24.1 -26.6 465 178 B N + 0 0 81 -2,-0.4 -52,-1.5 1,-0.2 2,-0.3 0.630 54.0 36.6-127.0 -33.9 33.3 -20.6 -27.8 466 179 B T B >> S-P 412 0D 24 -54,-0.2 4,-1.5 1,-0.1 3,-0.8 -0.785 79.3-106.4-125.9 167.7 30.0 -18.7 -27.3 467 180 B T H 3> S+ 0 0 0 -56,-2.4 4,-2.6 -2,-0.3 5,-0.2 0.846 120.4 57.0 -53.7 -38.3 27.1 -18.3 -24.8 468 181 B L H 3> S+ 0 0 79 1,-0.2 4,-2.4 -57,-0.2 -1,-0.3 0.816 100.7 55.7 -67.3 -31.4 25.0 -20.2 -27.4 469 182 B D H <> S+ 0 0 51 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.892 110.4 46.0 -67.7 -37.6 27.4 -23.2 -27.3 470 183 B L H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.920 111.1 51.2 -70.8 -43.1 26.9 -23.4 -23.5 471 184 B V H X S+ 0 0 12 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.941 109.7 52.2 -57.6 -44.0 23.1 -23.0 -23.8 472 185 B K H X S+ 0 0 88 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.889 107.8 50.8 -59.0 -42.3 23.2 -25.9 -26.4 473 186 B A H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.931 112.1 45.7 -62.2 -46.6 25.2 -28.1 -24.0 474 187 B V H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 3,-0.3 0.934 111.7 53.1 -63.9 -43.1 22.8 -27.6 -21.1 475 188 B R H < S+ 0 0 127 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.906 109.5 48.4 -58.0 -43.5 19.8 -28.1 -23.5 476 189 B E H < S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.793 112.0 50.8 -68.3 -26.3 21.2 -31.5 -24.7 477 190 B A H < S+ 0 0 5 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.818 96.9 76.4 -80.5 -33.0 21.8 -32.6 -21.1 478 191 B L S < S- 0 0 10 -4,-2.0 5,-0.1 -5,-0.1 12,-0.0 -0.595 85.8-111.2 -86.4 142.0 18.4 -31.9 -19.6 479 192 B P > - 0 0 46 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 -0.247 35.7-107.4 -63.3 157.5 15.4 -34.1 -20.2 480 193 B S H > S+ 0 0 84 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.895 115.7 40.6 -58.3 -48.8 12.6 -32.6 -22.4 481 194 B Y H > S+ 0 0 151 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.905 108.9 61.7 -68.9 -38.0 10.0 -31.9 -19.7 482 195 B E H > S+ 0 0 24 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.875 103.1 52.0 -52.2 -41.3 12.6 -30.7 -17.2 483 196 B I H < S+ 0 0 34 -4,-1.7 3,-0.4 1,-0.2 7,-0.2 0.936 113.9 42.0 -63.2 -46.0 13.5 -27.9 -19.7 484 197 B R H < S+ 0 0 162 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.768 106.7 60.6 -75.6 -24.2 9.9 -26.8 -20.0 485 198 B R H < S+ 0 0 124 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.768 80.9 104.7 -77.0 -20.7 8.9 -27.0 -16.4 486 199 B R < - 0 0 42 -4,-1.0 4,-0.1 -3,-0.4 -3,-0.0 -0.329 60.6-151.3 -66.2 137.5 11.4 -24.5 -15.2 487 200 B K S S+ 0 0 212 2,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.900 85.4 47.4 -72.0 -43.7 10.3 -21.0 -14.2 488 201 B R S S- 0 0 135 1,-0.1 5,-0.1 2,-0.1 -2,-0.0 -0.701 115.5 -74.3 -97.5 154.9 13.6 -19.4 -15.1 489 202 B H > - 0 0 77 -2,-0.3 3,-2.2 1,-0.2 4,-0.3 -0.188 48.3-121.1 -46.1 132.2 15.4 -20.1 -18.4 490 203 B F T 3 S+ 0 0 12 1,-0.3 4,-0.3 -7,-0.2 3,-0.2 0.669 108.8 56.2 -54.6 -23.6 16.9 -23.6 -18.1 491 204 B A T 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.543 80.4 95.1 -88.3 -5.3 20.5 -22.4 -18.6 492 205 B T H <> S+ 0 0 33 -3,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.904 83.6 45.5 -50.3 -54.5 20.4 -19.9 -15.8 493 206 B K H > S+ 0 0 52 -4,-0.3 4,-2.4 -3,-0.2 -1,-0.2 0.870 111.8 50.7 -63.0 -40.5 22.0 -22.1 -13.1 494 207 B T H > S+ 0 0 0 -4,-0.3 4,-2.1 2,-0.2 5,-0.2 0.932 111.9 48.2 -64.5 -43.5 24.8 -23.4 -15.2 495 208 B F H X S+ 0 0 5 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.921 112.6 49.7 -61.4 -42.1 25.7 -19.9 -16.3 496 209 B Q H X S+ 0 0 28 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.890 107.7 53.7 -62.0 -43.8 25.6 -18.8 -12.7 497 210 B A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.925 111.5 44.3 -58.7 -47.7 27.8 -21.7 -11.5 498 211 B I H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.921 112.9 52.4 -65.2 -42.2 30.6 -20.8 -14.0 499 212 B R H X S+ 0 0 31 -4,-2.2 4,-2.1 -5,-0.2 6,-0.2 0.940 110.4 46.9 -56.8 -51.9 30.3 -17.1 -13.2 500 213 B I H <>S+ 0 0 0 -4,-2.7 5,-1.9 1,-0.2 6,-0.4 0.897 115.9 45.7 -59.2 -42.9 30.7 -17.6 -9.5 501 214 B Y H ><5S+ 0 0 64 -4,-2.0 3,-1.4 -5,-0.2 -2,-0.2 0.944 111.5 50.6 -67.2 -48.5 33.7 -20.0 -10.1 502 215 B V H 3<5S+ 0 0 8 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.847 119.4 37.7 -58.9 -35.3 35.5 -17.8 -12.6 503 216 B N T 3<5S- 0 0 22 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.257 102.2-130.5-101.4 10.1 35.2 -14.8 -10.3 504 217 B R T <>5 + 0 0 125 -3,-1.4 4,-2.3 -4,-0.2 5,-0.2 0.818 49.6 158.6 41.8 42.3 35.8 -16.8 -7.1 505 218 B E H >< + 0 0 17 -5,-1.9 4,-2.0 -6,-0.2 -1,-0.1 0.819 67.8 48.1 -62.2 -36.1 32.7 -15.0 -5.6 506 219 B L H > S+ 0 0 8 -6,-0.4 4,-2.3 2,-0.2 5,-0.2 0.904 112.7 46.8 -72.8 -44.6 32.1 -17.7 -3.0 507 220 B E H > S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.882 113.9 49.2 -65.8 -39.1 35.7 -17.8 -1.7 508 221 B N H X S+ 0 0 28 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.942 110.3 50.3 -65.5 -48.0 35.8 -13.9 -1.6 509 222 B L H X S+ 0 0 1 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.953 114.7 42.8 -55.0 -54.7 32.6 -13.7 0.3 510 223 B K H X S+ 0 0 75 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.941 114.9 49.3 -58.8 -50.1 33.6 -16.2 2.9 511 224 B E H X S+ 0 0 83 -4,-2.4 4,-0.7 -5,-0.2 -1,-0.2 0.838 112.7 48.5 -59.9 -35.4 37.2 -14.8 3.3 512 225 B F H >X S+ 0 0 12 -4,-2.5 3,-1.0 1,-0.2 4,-0.7 0.950 107.4 51.8 -70.8 -51.5 35.9 -11.2 3.6 513 226 B L H 3X S+ 0 0 5 -4,-2.3 4,-0.6 1,-0.2 3,-0.3 0.772 99.6 68.7 -56.8 -27.5 33.3 -11.9 6.3 514 227 B K H 3< S+ 0 0 142 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.896 119.6 15.3 -60.1 -43.1 35.9 -13.7 8.4 515 228 B K H << S+ 0 0 146 -3,-1.0 3,-0.3 -4,-0.7 -1,-0.2 0.131 99.4 100.4-119.7 19.3 37.8 -10.5 9.1 516 229 B A H >< S+ 0 0 1 -4,-0.7 3,-1.2 -3,-0.3 4,-0.2 0.914 73.6 62.7 -70.5 -43.9 35.2 -7.9 8.1 517 230 B E G >< S+ 0 0 43 -4,-0.6 3,-1.4 1,-0.3 -1,-0.2 0.758 89.5 71.4 -53.2 -26.4 34.1 -7.2 11.7 518 231 B D G 3 S+ 0 0 67 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.096 95.5 54.8 -79.8 25.5 37.6 -5.9 12.4 519 232 B L G < S+ 0 0 9 -3,-1.2 -135,-3.7 -136,-0.1 2,-0.4 0.313 87.9 90.5-135.6 0.8 36.8 -2.9 10.2 520 233 B L E < -l 384 0C 20 -3,-1.4 -135,-0.2 -137,-0.2 3,-0.1 -0.868 69.5-130.9-107.1 135.3 33.6 -1.6 11.9 521 234 B N E > - 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