==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 26-DEC-11 4ADL . COMPND 2 MOLECULE: FUMARATE HYDRATASE CLASS II; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.E.MECHALY,A.HAOUZ,I.MIRAS,P.WEBER,W.SHEPARD,S.COLE,P.M.ALZ . 1835 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1326 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 4.1 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 . 16 0.9 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 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 175 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 919 50.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 52 2.8 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 8 4 0 8 0 6 2 0 0 6 2 0 5 3 4 4 4 0 0 0 0 8 4 4 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 0 PARALLEL BRIDGES PER LADDER . 4 4 0 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 12 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 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 9 A N 0 0 124 0, 0.0 15,-2.4 0, 0.0 16,-0.3 0.000 360.0 360.0 360.0 -57.6 28.3 -19.0 -33.8 2 10 A Y E -A 15 0A 119 13,-0.3 2,-0.3 14,-0.1 11,-0.1 -0.809 360.0-151.1-127.7 168.8 26.8 -15.5 -33.5 3 11 A R E -A 14 0A 63 11,-2.8 11,-3.0 -2,-0.2 2,-0.5 -0.913 28.1-106.0-134.4 159.4 23.8 -13.5 -34.6 4 12 A I E +A 13 0A 82 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.788 39.2 169.5 -95.6 128.6 23.3 -9.7 -35.3 5 13 A E E -A 12 0A 36 7,-2.4 7,-2.6 -2,-0.5 2,-0.3 -0.814 14.8-150.8-125.0 164.5 21.3 -7.6 -32.8 6 14 A H E +A 11 0A 115 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.992 16.8 176.2-145.5 153.5 21.0 -3.8 -32.6 7 15 A D E > -A 10 0A 16 3,-2.1 3,-1.4 -2,-0.3 -2,-0.0 -0.700 59.0 -77.2-132.9-174.6 20.4 -0.8 -30.2 8 16 A T T 3 S+ 0 0 52 1,-0.3 3,-0.1 -2,-0.2 1218,-0.0 0.617 130.6 55.4 -67.8 -9.9 20.3 3.0 -30.7 9 17 A M T 3 S- 0 0 56 1,-0.3 2,-0.3 1216,-0.0 -1,-0.3 0.553 117.9 -99.8 -96.9 -12.5 24.2 2.9 -30.8 10 18 A G E < -A 7 0A 32 -3,-1.4 -3,-2.1 2,-0.0 -1,-0.3 -0.893 59.8 -13.6 132.2-161.7 24.4 0.4 -33.7 11 19 A E E -A 6 0A 147 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.550 47.7-172.1 -84.1 146.2 25.0 -3.4 -34.4 12 20 A V E -A 5 0A 10 -7,-2.6 -7,-2.4 -2,-0.2 2,-0.5 -0.999 24.3-127.6-139.8 134.8 26.4 -5.9 -32.0 13 21 A R E -A 4 0A 154 -2,-0.3 -9,-0.2 -9,-0.2 8,-0.0 -0.761 33.2-173.3 -83.3 119.7 27.4 -9.6 -32.5 14 22 A V E -A 3 0A 0 -11,-3.0 -11,-2.8 -2,-0.5 8,-0.1 -0.944 34.4 -94.2-115.7 138.8 25.6 -11.8 -29.9 15 23 A P E > -A 2 0A 53 0, 0.0 3,-1.6 0, 0.0 -13,-0.3 -0.271 37.8-122.7 -54.3 133.0 26.2 -15.6 -29.3 16 24 A A T 3 S+ 0 0 46 -15,-2.4 -14,-0.1 1,-0.3 -12,-0.0 0.783 107.7 41.2 -45.7 -45.6 23.6 -17.6 -31.4 17 25 A K T 3 S+ 0 0 192 -16,-0.3 -1,-0.3 -14,-0.0 2,-0.2 0.441 88.8 114.8 -89.0 -2.3 22.0 -19.5 -28.4 18 26 A A < - 0 0 11 -3,-1.6 68,-0.1 1,-0.1 -4,-0.0 -0.483 55.3-154.9 -72.5 137.2 21.9 -16.5 -26.0 19 27 A L S S+ 0 0 20 -2,-0.2 91,-0.4 64,-0.1 -1,-0.1 0.580 74.9 84.8 -85.1 -11.8 18.5 -15.2 -24.9 20 28 A W - 0 0 31 1,-0.1 2,-0.1 -5,-0.1 83,-0.1 -0.356 67.5-153.8 -82.9 168.7 20.1 -11.7 -24.2 21 29 A R > - 0 0 52 81,-0.2 4,-2.0 -2,-0.1 3,-0.4 -0.296 40.4 -45.7-125.4-153.7 20.5 -9.1 -27.0 22 30 A A H > S+ 0 0 1 1,-0.2 4,-2.1 -16,-0.2 -15,-0.1 0.824 126.4 46.5 -49.0 -54.0 22.7 -6.1 -28.1 23 31 A Q H > S+ 0 0 13 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.797 113.1 49.1 -69.1 -31.0 22.8 -4.0 -24.8 24 32 A T H > S+ 0 0 0 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.906 111.1 51.0 -71.7 -42.0 23.6 -7.1 -22.6 25 33 A Q H X S+ 0 0 17 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.887 108.2 51.7 -62.5 -40.4 26.5 -8.1 -25.1 26 34 A R H X S+ 0 0 36 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.916 111.3 48.4 -58.9 -44.0 27.9 -4.5 -24.9 27 35 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 63,-0.3 0.820 106.6 56.3 -67.3 -33.1 27.8 -4.8 -21.0 28 36 A V H < S+ 0 0 47 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.913 115.6 37.7 -63.0 -42.4 29.6 -8.3 -21.2 29 37 A E H < S+ 0 0 87 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.754 116.9 51.9 -81.9 -27.3 32.5 -6.7 -23.2 30 38 A N H < S+ 0 0 4 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.827 115.4 36.1 -78.3 -36.4 32.5 -3.4 -21.2 31 39 A F < + 0 0 2 -4,-2.1 2,-2.3 -5,-0.1 3,-0.4 -0.134 57.2 146.4-119.0 48.8 32.7 -4.8 -17.7 32 40 A P + 0 0 72 0, 0.0 1261,-0.1 0, 0.0 -4,-0.1 -0.443 41.3 119.3 -78.6 80.1 34.9 -8.1 -17.5 33 41 A I S S+ 0 0 1 -2,-2.3 1256,-0.3 3,-0.1 1257,-0.1 0.849 77.7 8.5-109.9 -58.6 36.1 -7.1 -13.9 34 42 A S S S- 0 0 8 -3,-0.4 3,-0.1 2,-0.2 1252,-0.1 0.650 82.4-130.2-102.6 -24.8 35.1 -9.6 -11.2 35 43 A G S S+ 0 0 70 -4,-0.3 2,-0.4 1,-0.3 54,-0.0 0.585 75.0 107.7 80.5 11.4 33.8 -12.5 -13.3 36 44 A R - 0 0 77 3,-0.0 55,-2.0 0, 0.0 56,-0.3 -0.976 46.7-173.1-125.4 137.9 30.7 -12.6 -11.1 37 45 A G - 0 0 18 -2,-0.4 53,-0.2 53,-0.3 54,-0.1 -0.195 43.9 -38.1-108.3-161.4 27.1 -11.6 -11.9 38 46 A L - 0 0 18 51,-0.5 -1,-0.3 49,-0.2 49,-0.1 -0.316 61.9-118.4 -63.9 145.3 23.8 -11.1 -10.1 39 47 A E > - 0 0 51 -3,-0.1 4,-1.9 1,-0.1 3,-0.4 -0.307 29.7 -99.1 -78.0 168.4 22.9 -13.7 -7.4 40 48 A R H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.864 124.0 52.5 -54.0 -43.5 19.8 -16.0 -7.5 41 49 A T H > S+ 0 0 57 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.804 108.7 49.9 -66.5 -33.8 17.9 -13.6 -5.1 42 50 A Q H > S+ 0 0 9 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.883 111.9 46.7 -72.0 -41.0 18.6 -10.6 -7.4 43 51 A I H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.898 112.2 52.3 -67.3 -40.7 17.4 -12.4 -10.6 44 52 A R H X S+ 0 0 80 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.934 110.4 47.0 -58.9 -50.2 14.3 -13.6 -8.6 45 53 A A H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.849 112.3 49.6 -62.9 -38.3 13.5 -10.0 -7.5 46 54 A L H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.886 112.4 49.2 -67.2 -39.0 14.0 -8.6 -11.1 47 55 A G H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.945 111.9 47.2 -62.4 -52.1 11.7 -11.4 -12.4 48 56 A L H X S+ 0 0 22 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.887 113.7 48.9 -56.0 -45.1 9.0 -10.6 -9.7 49 57 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.918 109.6 49.5 -65.5 -46.9 9.1 -6.9 -10.5 50 58 A K H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.863 113.0 48.5 -61.0 -38.1 8.9 -7.2 -14.3 51 59 A G H X S+ 0 0 11 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.920 112.6 47.7 -65.6 -46.2 5.9 -9.5 -13.9 52 60 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.886 111.3 51.1 -62.8 -41.7 4.2 -7.0 -11.5 53 61 A C H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.905 110.9 48.5 -63.0 -43.2 4.9 -4.0 -13.8 54 62 A A H X S+ 0 0 3 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.864 109.6 53.4 -64.2 -38.8 3.3 -5.9 -16.8 55 63 A Q H X S+ 0 0 66 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.905 112.3 43.4 -61.5 -45.7 0.3 -6.8 -14.7 56 64 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.896 112.1 51.9 -71.2 -42.0 -0.3 -3.1 -13.7 57 65 A N H <>S+ 0 0 1 -4,-2.5 5,-3.0 1,-0.2 6,-1.0 0.877 113.3 47.2 -60.4 -37.2 0.3 -1.8 -17.3 58 66 A S H ><5S+ 0 0 32 -4,-1.9 3,-1.4 4,-0.2 -2,-0.2 0.908 110.0 51.6 -67.6 -47.1 -2.3 -4.4 -18.4 59 67 A D H 3<5S+ 0 0 92 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.827 111.4 47.9 -59.8 -36.4 -4.8 -3.4 -15.7 60 68 A L T 3<5S- 0 0 53 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.384 115.2-118.0 -87.2 3.1 -4.5 0.3 -16.7 61 69 A G T < 5S+ 0 0 64 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.755 82.1 119.1 65.5 30.4 -5.0 -0.7 -20.4 62 70 A L S - 0 0 52 -2,-0.4 4,-2.4 1,-0.1 3,-0.3 -0.238 32.3-120.8 -55.2 138.1 -2.2 -5.4 -24.9 65 73 A P H > S+ 0 0 87 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.849 111.1 48.2 -53.9 -41.0 -3.4 -8.4 -22.9 66 74 A E H > S+ 0 0 153 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.850 112.3 49.4 -69.1 -35.7 -1.4 -11.0 -24.9 67 75 A K H > S+ 0 0 74 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.907 114.2 46.0 -66.2 -42.6 1.8 -8.9 -24.7 68 76 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.891 110.2 53.3 -66.8 -42.7 1.3 -8.6 -20.9 69 77 A D H X S+ 0 0 100 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.860 108.8 50.2 -59.1 -41.3 0.5 -12.4 -20.6 70 78 A A H X S+ 0 0 16 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.860 111.8 47.2 -66.6 -38.4 3.8 -13.2 -22.4 71 79 A I H X S+ 0 0 1 -4,-1.6 4,-3.4 2,-0.2 5,-0.2 0.947 112.6 48.9 -68.4 -47.9 5.8 -10.9 -20.0 72 80 A I H X S+ 0 0 51 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.886 114.6 46.3 -57.8 -42.5 4.1 -12.4 -16.9 73 81 A A H X S+ 0 0 52 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.919 116.7 43.3 -66.4 -46.2 4.8 -16.0 -18.2 74 82 A A H X S+ 0 0 1 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.900 113.8 51.1 -65.9 -42.6 8.5 -15.1 -19.1 75 83 A A H X S+ 0 0 2 -4,-3.4 4,-2.4 1,-0.2 -1,-0.2 0.809 106.5 55.1 -66.0 -32.3 9.0 -13.1 -15.8 76 84 A A H X S+ 0 0 58 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.863 107.5 49.9 -67.7 -37.8 7.7 -16.1 -13.7 77 85 A E H X>S+ 0 0 59 -4,-1.3 5,-2.2 2,-0.2 4,-0.6 0.850 112.0 48.4 -66.6 -38.5 10.3 -18.4 -15.4 78 86 A I H ><5S+ 0 0 0 -4,-1.6 3,-1.1 2,-0.2 5,-0.3 0.942 112.6 47.0 -66.7 -48.6 13.1 -15.9 -14.6 79 87 A A H 3<5S+ 0 0 12 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.798 108.6 57.2 -63.6 -30.6 11.9 -15.6 -10.9 80 88 A D H 3<5S- 0 0 121 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.647 118.1-112.2 -74.3 -20.4 11.7 -19.5 -10.7 81 89 A G T <<5S+ 0 0 30 -3,-1.1 3,-0.4 -4,-0.6 -3,-0.2 0.668 78.7 126.7 94.5 24.2 15.4 -19.7 -11.7 82 90 A Q S + 0 0 21 -6,-0.4 3,-2.1 -5,-0.3 -1,-0.2 0.026 70.0 124.3-126.1 31.5 17.2 -18.7 -17.0 84 92 A D G > S+ 0 0 51 -3,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.813 75.3 59.9 -60.6 -31.7 20.0 -17.7 -14.4 85 93 A D G 3 S+ 0 0 121 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.515 93.3 68.9 -74.2 -3.6 22.7 -18.6 -17.1 86 94 A Q G < S+ 0 0 24 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.270 84.3 75.3 -96.6 9.3 21.1 -15.8 -19.3 87 95 A F < + 0 0 12 -3,-1.3 -49,-0.2 1,-0.1 -1,-0.2 -0.737 51.3 150.9-119.5 77.0 22.4 -13.1 -16.8 88 96 A P + 0 0 51 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.491 27.4 121.0 -92.6 -0.0 26.1 -12.8 -17.6 89 97 A I - 0 0 1 1,-0.1 -51,-0.5 10,-0.1 -61,-0.1 -0.415 64.9-114.1 -70.0 135.4 26.7 -9.1 -16.8 90 98 A D - 0 0 9 -63,-0.3 -53,-0.3 -53,-0.2 3,-0.2 -0.193 15.5-121.4 -60.8 154.4 29.3 -8.3 -14.0 91 99 A V S S+ 0 0 6 -55,-2.0 2,-2.0 1,-0.2 -54,-0.1 0.883 107.6 70.1 -61.5 -40.9 28.4 -6.8 -10.7 92 100 A F S S+ 0 0 0 -56,-0.3 -1,-0.2 -61,-0.2 2,-0.1 -0.456 77.5 121.9 -85.4 69.5 30.8 -3.9 -11.5 93 101 A Q S S- 0 0 0 -2,-2.0 263,-0.1 1,-0.3 1153,-0.1 -0.393 74.8 -35.0-110.7-171.9 28.6 -2.4 -14.3 94 102 A T > - 0 0 1 1,-0.1 3,-2.2 -2,-0.1 -1,-0.3 -0.277 67.3-118.1 -50.9 129.3 27.0 1.1 -14.8 95 103 A G T 3 S+ 0 0 0 1,-0.3 259,-1.5 257,-0.2 -1,-0.1 0.509 108.8 58.5 -55.1 -13.3 26.1 2.3 -11.3 96 104 A S T 3 S- 0 0 0 256,-0.2 -1,-0.3 257,-0.1 39,-0.2 0.594 108.2-118.9 -90.3 -15.1 22.3 2.5 -11.9 97 105 A G <> + 0 0 0 -3,-2.2 4,-1.9 38,-0.1 -2,-0.1 0.692 66.2 144.3 79.4 22.2 22.0 -1.2 -12.9 98 106 A T H > + 0 0 3 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.887 68.5 53.5 -54.8 -46.4 20.9 -0.1 -16.4 99 107 A S H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.921 110.6 44.4 -59.8 -47.7 22.7 -3.1 -18.0 100 108 A S H > S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.806 112.8 53.4 -68.4 -30.1 21.1 -5.7 -15.7 101 109 A N H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.927 111.3 44.7 -66.6 -46.0 17.7 -4.0 -16.3 102 110 A M H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.798 108.3 59.9 -66.6 -30.6 18.1 -4.3 -20.1 103 111 A N H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.917 107.7 43.8 -63.7 -44.4 19.3 -7.9 -19.5 104 112 A T H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.929 115.2 49.3 -65.8 -45.6 15.9 -8.7 -17.9 105 113 A N H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.881 114.5 44.0 -59.4 -45.8 14.0 -6.8 -20.7 106 114 A E H X S+ 0 0 7 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.884 113.6 49.5 -69.6 -42.7 16.0 -8.6 -23.6 107 115 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.922 112.6 48.5 -63.8 -42.8 15.7 -12.1 -22.0 108 116 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.917 110.8 51.6 -61.9 -43.4 11.9 -11.6 -21.5 109 117 A A H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 10,-0.3 0.861 112.3 45.9 -60.9 -39.3 11.6 -10.4 -25.2 110 118 A S H X S+ 0 0 13 -4,-2.0 4,-1.0 -91,-0.4 -1,-0.2 0.877 111.7 49.9 -73.8 -39.8 13.5 -13.5 -26.4 111 119 A I H >X S+ 0 0 18 -4,-2.4 3,-0.8 1,-0.2 4,-0.5 0.934 112.8 48.0 -61.6 -47.6 11.4 -16.0 -24.3 112 120 A A H ><>S+ 0 0 7 -4,-2.4 5,-2.3 1,-0.2 3,-1.0 0.815 104.3 60.5 -61.9 -34.5 8.1 -14.4 -25.5 113 121 A A H ><5S+ 0 0 52 -4,-1.4 3,-1.2 1,-0.2 -1,-0.2 0.782 96.6 60.8 -63.9 -29.1 9.4 -14.6 -29.2 114 122 A K H <<5S+ 0 0 156 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.723 105.6 48.2 -69.4 -23.4 9.6 -18.4 -28.8 115 123 A G T <<5S- 0 0 67 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.202 126.6-101.4 -99.7 9.7 5.8 -18.3 -28.1 116 124 A G T < 5S+ 0 0 68 -3,-1.2 2,-0.5 1,-0.2 -3,-0.2 0.627 81.6 129.0 78.8 20.1 5.2 -16.1 -31.2 117 125 A V < - 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0 0 9 -3,-1.6 68,-0.1 1,-0.1 -4,-0.0 -0.475 54.9-154.9 -71.5 136.8 44.3 18.3 44.1 479 27 B L S S+ 0 0 20 -2,-0.2 91,-0.4 64,-0.1 -1,-0.1 0.569 74.8 85.0 -85.1 -11.5 40.8 17.0 45.2 480 28 B W - 0 0 32 1,-0.1 2,-0.1 -5,-0.1 83,-0.1 -0.363 67.7-153.5 -82.9 169.0 41.7 13.5 43.8 481 29 B R > - 0 0 51 81,-0.2 4,-2.0 -2,-0.1 3,-0.4 -0.300 40.4 -46.4-125.9-154.0 43.7 10.9 45.8 482 30 B A H > S+ 0 0 0 -16,-0.2 4,-2.0 1,-0.2 -15,-0.1 0.823 126.1 47.1 -49.7 -53.3 46.1 7.9 45.4 483 31 B Q H > S+ 0 0 12 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.804 112.9 48.9 -68.8 -30.7 44.2 5.8 42.7 484 32 B T H > S+ 0 0 0 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.910 111.0 51.1 -71.9 -42.3 43.7 8.9 40.4 485 33 B Q H X S+ 0 0 17 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.882 108.0 51.9 -62.5 -39.6 47.4 9.8 40.8 486 34 B R H X S+ 0 0 35 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.917 111.0 48.5 -59.7 -43.8 48.4 6.2 39.8 487 35 B A H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 63,-0.3 0.827 106.6 56.2 -67.3 -33.0 46.1 6.5 36.7 488 36 B V H < S+ 0 0 48 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.905 115.6 37.9 -63.3 -41.6 47.7 10.0 35.8 489 37 B E H < S+ 0 0 88 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.751 116.7 51.9 -82.5 -27.2 51.2 8.3 35.8 490 38 B N H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.826 115.9 35.7 -78.3 -36.1 50.0 5.0 34.2 491 39 B F < + 0 0 1 -4,-2.0 2,-2.3 -5,-0.1 3,-0.4 -0.141 57.5 146.9-119.4 47.9 48.2 6.5 31.2 492 40 B P + 0 0 71 0, 0.0 1261,-0.1 0, 0.0 -4,-0.1 -0.457 41.3 119.5 -77.2 79.7 49.9 9.7 29.7 493 41 B I S S+ 0 0 0 -2,-2.3 1256,-0.3 3,-0.1 1257,-0.1 0.846 77.1 8.7-109.8 -59.0 48.7 8.7 26.2 494 42 B S S S- 0 0 6 -3,-0.4 3,-0.1 2,-0.2 1252,-0.1 0.654 82.2-129.8-102.5 -24.6 46.4 11.3 24.5 495 43 B G S S+ 0 0 69 -4,-0.3 2,-0.4 1,-0.3 54,-0.0 0.600 75.3 107.3 80.4 12.1 46.6 14.2 27.0 496 44 B R - 0 0 84 3,-0.0 55,-1.9 0, 0.0 56,-0.3 -0.980 46.7-173.6-126.5 138.0 42.8 14.4 27.0 497 45 B G - 0 0 19 -2,-0.4 53,-0.2 53,-0.3 54,-0.1 -0.192 44.3 -37.2-109.0-160.1 40.4 13.3 29.7 498 46 B L - 0 0 17 51,-0.5 -1,-0.3 49,-0.3 49,-0.1 -0.320 62.3-118.9 -64.8 145.3 36.6 12.9 30.1 499 47 B E > - 0 0 52 -3,-0.1 4,-1.9 1,-0.1 3,-0.5 -0.311 29.6 -99.1 -78.2 168.2 34.3 15.5 28.5 500 48 B R H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.864 124.0 52.4 -53.8 -43.7 31.9 17.9 30.3 501 49 B T H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.800 108.8 49.9 -66.6 -33.8 28.9 15.5 29.5 502 50 B Q H > S+ 0 0 8 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.879 111.8 46.8 -72.1 -40.7 30.8 12.4 30.9 503 51 B I H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.898 112.2 52.3 -67.3 -40.6 31.7 14.2 34.2 504 52 B R H X S+ 0 0 80 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.932 110.3 47.0 -59.0 -50.1 28.0 15.5 34.4 505 53 B A H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.854 112.4 49.6 -63.6 -37.8 26.6 11.9 34.0 506 54 B L H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.886 112.3 49.3 -67.2 -38.9 29.1 10.5 36.6 507 55 B G H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.945 111.8 47.3 -62.3 -52.2 28.0 13.3 39.0 508 56 B L H X S+ 0 0 22 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.885 113.6 48.9 -56.3 -45.0 24.3 12.6 38.4 509 57 B L H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.914 109.5 49.7 -65.8 -46.6 24.8 8.8 39.0 510 58 B K H X S+ 0 0 3 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.867 112.7 48.8 -61.0 -38.2 26.8 9.1 42.2 511 59 B G H X S+ 0 0 9 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.921 112.3 47.7 -64.9 -46.5 24.2 11.4 43.7 512 60 B A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.886 111.0 51.3 -62.5 -41.5 21.3 9.0 42.6 513 61 B C H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.901 110.7 48.8 -63.4 -42.6 23.2 6.0 44.2 514 62 B A H X S+ 0 0 3 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.869 109.4 53.3 -63.9 -39.4 23.7 7.9 47.5 515 63 B Q H X S+ 0 0 63 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.904 112.2 43.7 -61.4 -45.1 20.0 8.8 47.5 516 64 B V H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.899 111.8 52.0 -71.6 -41.9 18.9 5.1 47.1 517 65 B N H <>S+ 0 0 0 -4,-2.4 5,-3.0 1,-0.2 6,-1.0 0.878 113.3 47.2 -60.5 -36.8 21.5 3.8 49.7 518 66 B S H ><5S+ 0 0 29 -4,-1.9 3,-1.4 3,-0.2 -2,-0.2 0.908 109.9 51.5 -67.9 -47.6 20.0 6.5 52.1 519 67 B D H 3<5S+ 0 0 90 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.833 111.5 47.9 -59.1 -36.9 16.4 5.5 51.3 520 68 B L T 3<5S- 0 0 53 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.394 115.1-118.2 -87.1 2.7 17.2 1.8 52.0 521 69 B G T < 5S+ 0 0 64 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.761 82.1 119.1 65.5 30.8 18.9 2.8 55.3 522 70 B L S - 0 0 54 -2,-0.4 4,-2.4 1,-0.1 3,-0.3 -0.248 32.6-120.8 -55.5 138.1 23.9 7.4 57.3 525 73 B P H > S+ 0 0 87 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.850 111.0 48.1 -53.3 -41.4 21.7 10.4 56.2 526 74 B E H > S+ 0 0 157 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.850 112.1 49.7 -69.3 -35.5 24.5 13.1 56.8 527 75 B K H > S+ 0 0 74 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.905 114.1 46.1 -66.0 -42.4 27.0 10.9 54.8 528 76 B A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.895 110.1 53.2 -67.0 -42.3 24.4 10.6 52.0 529 77 B D H X S+ 0 0 98 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.859 108.5 50.6 -59.6 -40.5 23.6 14.4 52.1 530 78 B A H X S+ 0 0 17 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.859 111.5 47.5 -67.0 -38.1 27.3 15.2 51.7 531 79 B I H X S+ 0 0 1 -4,-1.6 4,-3.3 2,-0.2 5,-0.2 0.950 112.5 48.8 -68.1 -47.8 27.6 12.9 48.7 532 80 B I H X S+ 0 0 49 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.884 114.4 46.4 -57.9 -42.2 24.4 14.4 47.1 533 81 B A H X S+ 0 0 54 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.918 116.6 43.3 -67.1 -45.9 25.8 17.9 47.7 534 82 B A H X S+ 0 0 1 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.900 113.8 51.2 -65.8 -42.6 29.3 17.0 46.3 535 83 B A H X S+ 0 0 2 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.804 106.4 55.2 -66.0 -32.0 27.9 15.1 43.3 536 84 B A H X S+ 0 0 58 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.867 107.4 49.7 -67.9 -38.0 25.6 18.1 42.4 537 85 B E H X>S+ 0 0 59 -4,-1.3 5,-2.2 2,-0.2 4,-0.6 0.851 112.1 48.2 -66.7 -38.4 28.8 20.4 42.3 538 86 B I H ><5S+ 0 0 0 -4,-1.6 3,-1.1 2,-0.2 5,-0.3 0.941 112.7 47.1 -66.7 -48.7 30.5 17.8 40.0 539 87 B A H 3<5S+ 0 0 12 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.800 108.6 57.2 -63.3 -31.0 27.4 17.5 37.7 540 88 B D H 3<5S- 0 0 120 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.646 118.0-112.2 -74.2 -20.2 27.2 21.4 37.6 541 89 B G T <<5S+ 0 0 31 -3,-1.1 3,-0.4 -4,-0.6 -3,-0.2 0.667 78.7 126.6 94.2 23.9 30.8 21.6 36.2 542 90 B Q S S+ 0 0 20 -6,-0.4 3,-2.0 -5,-0.3 -1,-0.2 0.018 70.1 124.6-126.4 31.6 35.3 20.5 39.5 544 92 B D G > S+ 0 0 50 -3,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.813 75.2 60.0 -60.4 -31.8 36.1 19.6 35.8 545 93 B D G 3 S+ 0 0 123 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.513 93.2 68.9 -74.2 -3.7 39.8 20.4 36.4 546 94 B Q G < S+ 0 0 24 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.274 84.6 74.8 -96.3 9.1 39.7 17.6 39.2 547 95 B F < + 0 0 13 -3,-1.3 -49,-0.3 1,-0.1 -1,-0.2 -0.744 51.3 150.7-120.0 77.4 39.3 14.8 36.5 548 96 B P + 0 0 52 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.498 27.1 121.7 -93.3 0.2 42.8 14.5 34.9 549 97 B I - 0 0 2 1,-0.1 -51,-0.5 10,-0.1 -61,-0.1 -0.409 64.6-114.3 -69.3 134.8 42.8 10.8 33.9 550 98 B D - 0 0 11 -63,-0.3 -53,-0.3 -53,-0.2 3,-0.2 -0.196 15.4-121.5 -61.1 154.7 43.3 10.0 30.2 551 99 B V S S+ 0 0 5 -55,-1.9 2,-2.0 1,-0.2 -1,-0.1 0.886 107.4 70.2 -61.7 -41.3 40.6 8.5 28.0 552 100 B F S S+ 0 0 0 -56,-0.3 -1,-0.2 -61,-0.2 -2,-0.1 -0.455 77.5 121.8 -84.9 69.2 43.0 5.6 27.3 553 101 B Q S S- 0 0 0 -2,-2.0 263,-0.1 1,-0.3 1153,-0.1 -0.376 74.7 -35.0-110.5-171.3 42.8 4.1 30.8 554 102 B T > - 0 0 1 1,-0.1 3,-2.2 -2,-0.1 -1,-0.3 -0.289 67.2-118.1 -52.1 129.6 41.8 0.6 32.1 555 103 B G T 3 S+ 0 0 0 1,-0.3 259,-1.5 257,-0.2 -1,-0.1 0.508 108.7 58.3 -54.6 -14.0 38.9 -0.5 29.9 556 104 B S T 3 S- 0 0 0 256,-0.2 -1,-0.3 257,-0.1 39,-0.2 0.593 108.3-118.7 -90.0 -15.1 36.3 -0.7 32.6 557 105 B G <> + 0 0 0 -3,-2.2 4,-1.9 38,-0.1 -2,-0.1 0.691 66.3 144.4 79.7 22.3 36.6 3.0 33.5 558 106 B T H > + 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.886 68.6 53.4 -55.1 -46.2 37.7 1.9 37.1 559 107 B S H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.921 110.6 44.3 -59.4 -48.0 40.2 4.9 37.2 560 108 B S H > S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.803 112.6 53.7 -68.3 -29.7 37.5 7.5 36.3 561 109 B N H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.924 111.2 44.7 -67.3 -45.5 35.1 5.8 38.8 562 110 B M H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.795 108.3 59.9 -66.7 -30.5 37.7 6.1 41.6 563 111 B N H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.918 107.7 43.8 -63.4 -44.8 38.3 9.7 40.4 564 112 B T H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.931 115.2 49.1 -65.6 -45.9 34.6 10.6 41.1 565 113 B N H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.881 114.6 44.2 -59.6 -45.7 34.7 8.7 44.5 566 114 B E H X S+ 0 0 7 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.883 113.6 49.3 -69.1 -42.8 38.0 10.4 45.7 567 115 B V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.920 112.7 48.4 -64.1 -42.9 36.9 13.9 44.5 568 116 B I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.917 110.8 51.6 -62.1 -43.7 33.5 13.5 46.4 569 117 B A H X S+ 0 0 1 -4,-2.0 4,-1.4 1,-0.2 10,-0.3 0.864 112.4 45.9 -60.4 -39.5 35.4 12.3 49.5 570 118 B S H X S+ 0 0 14 -4,-2.0 4,-0.9 -91,-0.4 -2,-0.2 0.879 111.8 49.6 -73.3 -40.6 37.6 15.4 49.5 571 119 B I H >< S+ 0 0 17 -4,-2.4 3,-0.8 1,-0.2 4,-0.5 0.933 112.9 47.9 -61.4 -47.8 34.7 17.9 48.9 572 120 B A H ><>S+ 0 0 7 -4,-2.4 5,-2.3 1,-0.2 3,-1.0 0.815 104.4 60.6 -61.8 -34.6 32.7 16.3 51.8 573 121 B A H ><5S+ 0 0 53 -4,-1.4 3,-1.2 1,-0.2 -1,-0.2 0.780 96.4 61.0 -63.8 -29.0 35.9 16.5 54.0 574 122 B K T <<5S+ 0 0 157 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.723 105.6 48.0 -69.5 -23.3 35.9 20.3 53.5 575 123 B G T < 5S- 0 0 64 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.225 126.5-101.5 -98.8 8.2 32.4 20.3 55.2 576 124 B G T < 5S+ 0 0 67 -3,-1.2 2,-0.5 1,-0.2 -3,-0.2 0.643 81.4 129.5 79.2 20.2 33.6 18.0 58.1 577 125 B V < - 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0 0 30 -4,-1.6 4,-2.1 -5,-0.5 5,-0.1 0.191 30.2 -88.6 89.3 149.7 53.6 -48.1 18.4 1789 418 D Y H > S+ 0 0 165 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.776 123.8 58.4 -62.9 -31.6 50.9 -45.3 17.9 1790 419 D E H > S+ 0 0 147 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.946 111.7 39.4 -63.7 -49.9 48.2 -47.5 19.6 1791 420 D E H > S+ 0 0 53 -4,-0.5 4,-2.1 1,-0.2 -2,-0.2 0.842 113.5 56.3 -69.1 -34.3 50.2 -47.7 22.9 1792 421 D A H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.874 107.3 48.9 -64.2 -37.7 51.3 -44.1 22.5 1793 422 D A H X S+ 0 0 52 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.847 110.2 51.1 -68.3 -37.0 47.5 -43.1 22.3 1794 423 D A H X S+ 0 0 29 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.858 109.4 50.7 -68.0 -37.2 46.8 -45.2 25.4 1795 424 D V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.932 111.1 48.7 -63.4 -48.3 49.7 -43.4 27.3 1796 425 D A H X S+ 0 0 11 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.874 112.2 48.9 -58.9 -42.2 48.3 -40.0 26.2 1797 426 D K H X S+ 0 0 144 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.911 113.8 44.6 -65.9 -46.8 44.8 -41.0 27.5 1798 427 D Q H X S+ 0 0 44 -4,-2.2 4,-2.3 2,-0.2 6,-0.2 0.847 109.3 57.4 -67.1 -37.8 46.0 -42.3 30.9 1799 428 D A H X>S+ 0 0 1 -4,-2.4 5,-2.0 1,-0.2 4,-0.8 0.908 109.2 44.4 -60.8 -44.9 48.3 -39.2 31.4 1800 429 D L H <5S+ 0 0 70 -4,-1.6 -1,-0.2 3,-0.2 -2,-0.2 0.878 114.1 50.6 -64.5 -43.2 45.3 -36.7 31.1 1801 430 D K H <5S+ 0 0 170 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.861 119.3 35.0 -63.9 -42.9 43.1 -38.9 33.3 1802 431 D E H <5S- 0 0 94 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.460 105.9-125.6 -93.6 -3.6 45.7 -39.2 36.2 1803 432 D R T <5 + 0 0 185 -4,-0.8 -3,-0.2 1,-0.2 2,-0.2 0.826 64.8 138.7 59.0 39.5 47.0 -35.5 35.5 1804 433 D K < - 0 0 77 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.603 59.1 -94.1-108.6 166.0 50.6 -37.0 35.1 1805 434 D T > - 0 0 35 -2,-0.2 4,-1.9 1,-0.1 -30,-0.3 -0.374 34.1-116.6 -73.0 158.9 53.5 -36.3 32.8 1806 435 D I H > S+ 0 0 0 -32,-2.6 4,-2.3 2,-0.2 5,-0.1 0.903 116.7 55.7 -62.2 -40.4 53.9 -38.5 29.7 1807 436 D R H > S+ 0 0 93 -33,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.923 108.8 44.5 -56.5 -53.2 57.3 -39.8 31.1 1808 437 D Q H > S+ 0 0 75 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.859 112.5 53.1 -62.4 -38.3 55.6 -41.0 34.4 1809 438 D T H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.889 106.5 51.7 -65.3 -42.4 52.7 -42.6 32.5 1810 439 D V H <>S+ 0 0 0 -4,-2.3 5,-1.9 2,-0.2 6,-0.3 0.927 114.9 43.7 -59.8 -44.4 55.2 -44.6 30.3 1811 440 D I H ><5S+ 0 0 59 -4,-1.8 3,-2.1 1,-0.2 5,-0.3 0.943 112.4 52.0 -63.6 -51.6 56.9 -45.9 33.5 1812 441 D D H 3<5S+ 0 0 69 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.761 105.7 55.4 -57.2 -31.8 53.5 -46.5 35.3 1813 442 D R T 3<5S- 0 0 92 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.414 115.4-118.2 -83.7 2.1 52.3 -48.6 32.3 1814 443 D G T < 5 + 0 0 64 -3,-2.1 -3,-0.2 -5,-0.1 -2,-0.1 0.834 69.6 138.5 64.0 39.5 55.5 -50.8 32.6 1815 444 D L < + 0 0 37 -5,-1.9 2,-0.5 2,-0.1 5,-0.2 0.528 33.9 104.6 -91.7 -7.6 56.8 -49.9 29.1 1816 445 D I + 0 0 59 -6,-0.3 2,-0.2 -5,-0.3 5,-0.2 -0.657 53.9 90.7 -79.3 120.6 60.5 -49.6 30.2 1817 446 D G S S- 0 0 40 3,-2.4 -2,-0.1 -2,-0.5 5,-0.0 -0.769 93.7 -36.1-170.4-144.1 62.5 -52.6 29.1 1818 447 D D S S+ 0 0 184 -2,-0.2 3,-0.2 1,-0.2 -2,-0.1 0.860 132.9 52.7 -70.3 -38.4 64.5 -54.0 26.1 1819 448 D R S S+ 0 0 76 1,-0.3 2,-0.3 -4,-0.1 -1,-0.2 0.744 127.0 14.2 -68.6 -28.7 62.2 -52.1 23.6 1820 449 D L - 0 0 1 -5,-0.2 -3,-2.4 -33,-0.0 -1,-0.3 -0.878 68.1-159.5-155.3 118.3 62.7 -48.8 25.4 1821 450 D S > - 0 0 49 -2,-0.3 4,-1.9 -5,-0.2 5,-0.1 -0.503 33.5-113.8 -89.9 163.9 65.2 -47.7 28.1 1822 451 D I H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.834 119.4 53.4 -68.2 -32.0 64.7 -44.7 30.5 1823 452 D E H > S+ 0 0 130 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.890 110.6 47.0 -66.7 -40.0 67.7 -42.9 28.8 1824 453 D D H > S+ 0 0 30 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.837 110.8 52.9 -68.0 -36.7 65.9 -43.4 25.4 1825 454 D L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.903 108.5 48.5 -65.6 -45.9 62.6 -42.2 26.9 1826 455 D D H < S+ 0 0 69 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.794 112.2 50.7 -65.7 -30.4 64.1 -38.9 28.2 1827 456 D R H >< S+ 0 0 165 -4,-1.3 3,-1.0 2,-0.2 -2,-0.2 0.932 113.4 43.7 -71.4 -48.3 65.7 -38.3 24.8 1828 457 D R H 3< S+ 0 0 54 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.807 118.4 44.9 -67.3 -33.8 62.4 -38.9 22.9 1829 458 D L T 3< S+ 0 0 13 -4,-2.2 2,-1.1 -5,-0.1 -1,-0.2 0.177 73.8 132.9-100.3 19.1 60.4 -36.8 25.4 1830 459 D D <> - 0 0 73 -3,-1.0 4,-1.5 1,-0.2 -3,-0.1 -0.584 35.3-172.7 -71.4 97.9 62.9 -33.9 25.6 1831 460 D V H > S+ 0 0 1 -2,-1.1 4,-1.2 2,-0.2 -1,-0.2 0.805 80.3 54.9 -66.2 -34.5 60.4 -31.0 25.2 1832 461 D L H >>>S+ 0 0 45 2,-0.2 5,-0.7 1,-0.2 4,-0.6 0.926 108.6 48.8 -65.6 -43.1 63.1 -28.3 24.9 1833 462 D A H >45S+ 0 0 60 1,-0.2 3,-0.8 2,-0.2 -2,-0.2 0.848 106.7 57.6 -62.9 -35.0 64.7 -30.2 22.0 1834 463 D M H 3<5S+ 0 0 16 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.806 100.9 55.5 -64.1 -32.8 61.2 -30.5 20.4 1835 464 D A H <<5S- 0 0 0 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.680 101.3-144.8 -71.9 -19.6 60.9 -26.6 20.4 1836 465 D K T <<5 - 0 0 83 -3,-0.8 -3,-0.1 -4,-0.6 2,-0.1 0.926 20.9-164.7 52.5 56.1 64.2 -26.6 18.4 1837 466 D A < 0 0 35 -5,-0.7 -1,-0.1 1,-0.1 -287,-0.0 -0.453 360.0 360.0 -71.5 143.1 65.6 -23.4 20.0 1838 467 D E 0 0 124 -2,-0.1 -1,-0.1 -289,-0.0 -2,-0.0 0.087 360.0 360.0 -61.7 360.0 68.6 -21.7 18.2