==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 31-JAN-11 3QKA . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE, ECHA5; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM MARINUM M; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1442 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45909.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1051 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 168 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 5.3 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 . 12 0.8 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 . 91 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 170 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 478 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 6 0 3 4 7 9 6 0 0 10 2 1 6 1 0 0 0 0 0 1 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 12 0 18 6 0 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 PARALLEL BRIDGES PER LADDER . 6 2 4 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 6 0 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 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 3 A D 0 0 164 0, 0.0 3,-0.1 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 133.5 -1.6 -18.3 18.3 2 4 A L + 0 0 54 1,-0.2 15,-3.4 14,-0.1 2,-0.4 0.768 360.0 32.5 -81.0 -27.9 -0.4 -15.0 16.8 3 5 A V E S-A 16 0A 10 13,-0.2 2,-0.4 14,-0.1 13,-0.2 -0.998 72.6-157.1-129.1 128.7 -2.7 -14.9 13.9 4 6 A Q E -A 15 0A 65 11,-2.6 11,-3.5 -2,-0.4 2,-0.5 -0.833 3.9-158.3-102.8 142.7 -6.3 -16.3 13.9 5 7 A V E +A 14 0A 75 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.984 10.7 179.8-123.5 120.4 -8.1 -17.4 10.8 6 8 A E E -A 13 0A 94 7,-2.7 7,-3.5 -2,-0.5 2,-0.4 -0.958 10.4-157.3-120.6 135.3 -11.9 -17.6 10.6 7 9 A R E +A 12 0A 121 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.943 14.6 179.3-119.0 133.9 -13.9 -18.6 7.5 8 10 A N E > -A 11 0A 130 3,-2.8 3,-2.1 -2,-0.4 -2,-0.0 -0.841 66.5 -68.4-131.1 93.9 -17.5 -17.8 6.7 9 11 A G T 3 S- 0 0 53 -2,-0.4 -1,-0.2 1,-0.3 38,-0.0 -0.358 119.3 -7.8 52.7-123.3 -18.3 -19.3 3.3 10 12 A P T 3 S+ 0 0 54 0, 0.0 37,-3.0 0, 0.0 38,-1.9 0.531 120.5 87.2 -82.4 -0.1 -16.3 -17.3 0.7 11 13 A V E < -Ab 8 48A 5 -3,-2.1 -3,-2.8 36,-0.2 2,-0.5 -0.867 59.2-165.1-102.3 119.8 -15.1 -14.7 3.2 12 14 A T E -Ab 7 49A 5 36,-2.4 38,-2.2 -2,-0.6 2,-0.6 -0.894 5.4-155.5-102.5 125.3 -11.9 -15.4 5.2 13 15 A T E -Ab 6 50A 4 -7,-3.5 -7,-2.7 -2,-0.5 2,-0.5 -0.890 3.8-163.6-101.9 126.0 -11.1 -13.2 8.2 14 16 A V E -Ab 5 51A 0 36,-3.8 38,-1.9 -2,-0.6 2,-0.5 -0.931 9.5-166.5-109.4 123.2 -7.5 -12.9 9.3 15 17 A I E -Ab 4 52A 0 -11,-3.5 -11,-2.6 -2,-0.5 2,-0.5 -0.941 18.5-138.2-118.7 122.2 -7.1 -11.5 12.8 16 18 A I E -Ab 3 53A 0 36,-2.7 38,-2.5 -2,-0.5 2,-0.4 -0.661 22.1-163.5 -75.0 123.0 -3.8 -10.3 14.3 17 19 A N + 0 0 36 -15,-3.4 3,-0.1 -2,-0.5 -1,-0.1 -0.510 53.6 100.7-116.8 62.7 -3.8 -11.7 17.8 18 20 A R > > + 0 0 25 -2,-0.4 5,-2.7 36,-0.2 3,-2.4 -0.374 29.2 152.9-130.5 58.3 -1.2 -9.9 19.9 19 21 A P G > 5S+ 0 0 63 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.817 70.6 66.9 -59.7 -26.2 -3.4 -7.5 21.9 20 22 A Q G 3 5S+ 0 0 141 1,-0.3 -2,-0.0 2,-0.1 35,-0.0 0.709 109.3 37.7 -64.7 -17.6 -0.7 -7.5 24.7 21 23 A A G X 5S- 0 0 21 -3,-2.4 3,-1.9 3,-0.1 -1,-0.3 0.018 122.0-104.0-117.1 20.7 1.5 -5.7 22.1 22 24 A R T < 5S- 0 0 185 -3,-1.9 38,-1.1 1,-0.3 39,-0.1 0.816 76.1 -65.0 55.9 29.5 -1.3 -3.5 20.6 23 25 A N T 3 - 0 0 15 -2,-0.6 4,-2.8 36,-0.2 46,-0.2 -0.363 50.4 -77.9 -97.2-174.3 7.2 -9.3 15.1 27 29 A G H > S+ 0 0 14 44,-3.2 4,-2.1 1,-0.2 5,-0.1 0.920 129.8 44.7 -51.4 -55.5 8.9 -11.9 12.9 28 30 A P H > S+ 0 0 53 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.876 115.2 49.1 -60.0 -40.6 6.7 -14.9 14.0 29 31 A T H > S+ 0 0 0 2,-0.2 4,-2.2 42,-0.2 -2,-0.2 0.926 111.0 49.9 -62.2 -46.3 3.5 -12.8 13.6 30 32 A A H X S+ 0 0 7 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.849 109.4 52.9 -60.3 -34.9 4.6 -11.6 10.2 31 33 A A H X S+ 0 0 56 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.895 109.4 47.4 -68.6 -39.8 5.3 -15.2 9.2 32 34 A A H X S+ 0 0 27 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.815 111.4 51.0 -70.2 -34.6 1.8 -16.3 10.3 33 35 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.922 110.2 49.7 -65.5 -45.1 0.2 -13.4 8.4 34 36 A Y H X S+ 0 0 89 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.959 113.4 46.5 -57.2 -49.6 2.1 -14.3 5.2 35 37 A S H X S+ 0 0 57 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.866 110.3 52.3 -59.1 -43.4 1.0 -18.0 5.6 36 38 A A H X S+ 0 0 10 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.906 114.1 43.2 -63.1 -41.1 -2.6 -17.0 6.2 37 39 A F H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.821 112.0 52.0 -77.2 -30.1 -2.7 -14.9 3.1 38 40 A A H X S+ 0 0 18 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.919 113.1 46.1 -70.1 -40.7 -0.8 -17.4 0.9 39 41 A E H X S+ 0 0 119 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.889 112.1 51.5 -63.4 -41.6 -3.3 -20.1 2.0 40 42 A F H >< S+ 0 0 4 -4,-2.0 3,-1.0 1,-0.2 6,-0.3 0.969 108.9 50.6 -58.2 -52.8 -6.2 -17.7 1.3 41 43 A D H 3< S+ 0 0 33 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.800 113.7 44.7 -53.4 -36.8 -4.9 -16.9 -2.2 42 44 A R H 3< S+ 0 0 184 -4,-1.5 2,-1.3 -5,-0.1 -1,-0.3 0.625 87.5 101.6 -83.1 -22.2 -4.6 -20.7 -3.0 43 45 A D X< - 0 0 44 -4,-1.2 3,-3.1 -3,-1.0 -1,-0.1 -0.578 56.6-164.5 -77.3 94.3 -8.0 -21.5 -1.6 44 46 A E T 3 S+ 0 0 98 -2,-1.3 -1,-0.2 1,-0.3 -4,-0.0 0.749 89.9 54.8 -48.4 -29.2 -10.3 -21.8 -4.6 45 47 A S T 3 S+ 0 0 73 -3,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.511 90.9 83.0 -89.0 -3.7 -13.2 -21.6 -2.2 46 48 A A < + 0 0 0 -3,-3.1 -35,-0.2 -6,-0.3 3,-0.1 -0.871 48.0 169.8 -97.8 133.6 -12.1 -18.3 -0.6 47 49 A S + 0 0 15 -37,-3.0 2,-0.4 -2,-0.5 -36,-0.2 0.791 61.3 18.6-107.0 -43.1 -13.2 -15.2 -2.5 48 50 A V E -b 11 0A 0 -38,-1.9 -36,-2.4 44,-0.1 -1,-0.3 -0.995 64.2-149.4-137.8 136.3 -12.5 -12.1 -0.3 49 51 A A E -bc 12 94A 0 44,-2.4 46,-2.2 -2,-0.4 2,-0.4 -0.735 1.7-155.5-104.8 158.5 -10.3 -11.6 2.9 50 52 A V E -bc 13 95A 0 -38,-2.2 -36,-3.8 -2,-0.3 2,-0.4 -0.999 6.9-158.8-131.5 128.6 -10.8 -9.3 5.8 51 53 A L E +bc 14 96A 0 44,-2.5 46,-3.3 -2,-0.4 2,-0.3 -0.926 27.6 142.4-111.8 131.4 -7.8 -8.1 7.9 52 54 A C E -b 15 0A 6 -38,-1.9 -36,-2.7 -2,-0.4 2,-0.4 -0.943 39.9-116.2-154.8 170.7 -8.4 -6.9 11.5 53 55 A G E > -b 16 0A 10 44,-0.4 3,-0.6 -2,-0.3 2,-0.2 -0.908 26.0-117.7-116.5 149.2 -6.8 -6.9 15.0 54 56 A N T 3 S+ 0 0 43 -38,-2.5 3,-0.4 -2,-0.4 -36,-0.2 -0.584 88.9 30.8 -75.0 142.0 -8.1 -8.4 18.2 55 57 A G T 3 S- 0 0 74 -2,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.577 126.9 -60.0 93.6 12.8 -8.9 -6.2 21.2 56 58 A G S < S+ 0 0 50 -3,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.467 111.4 90.1 96.9 2.9 -9.9 -2.9 19.7 57 59 A T - 0 0 21 -3,-0.4 43,-0.3 43,-0.2 -1,-0.3 -0.981 57.2-153.3-131.1 152.0 -6.8 -2.1 17.8 58 60 A F - 0 0 0 41,-1.8 2,-0.2 43,-0.6 44,-0.2 0.981 67.6 -40.1 -81.4 -67.6 -5.7 -2.8 14.2 59 61 A C B -g 102 0C 0 42,-2.7 44,-1.8 40,-0.2 -36,-0.2 -0.791 31.9-156.8-170.3 122.4 -1.8 -2.8 14.2 60 62 A A - 0 0 24 -38,-1.1 2,-0.3 1,-0.3 45,-0.2 0.462 56.4-111.0 -79.8 0.8 0.8 -0.6 15.9 61 63 A G - 0 0 0 -38,-0.4 -36,-2.8 43,-0.2 -1,-0.3 -0.726 67.7 -7.8 104.0-162.2 3.4 -1.6 13.3 62 64 A A B S-f 25 0B 20 -2,-0.3 2,-0.8 -38,-0.2 -36,-0.2 -0.361 81.5-101.3 -67.5 147.4 6.6 -3.7 13.7 63 65 A D > - 0 0 23 -38,-1.4 3,-1.3 1,-0.2 4,-0.5 -0.696 32.7-163.6 -79.5 110.9 7.4 -4.7 17.3 64 66 A L T 3 S+ 0 0 63 -2,-0.8 3,-0.5 1,-0.3 -1,-0.2 0.739 86.2 56.1 -66.9 -26.8 10.2 -2.3 18.2 65 67 A K T 3 S+ 0 0 179 1,-0.2 -1,-0.3 -3,-0.1 7,-0.1 0.541 99.4 61.2 -85.8 -11.9 11.3 -4.4 21.2 66 68 A A S X S+ 0 0 9 -3,-1.3 3,-2.2 5,-0.1 -1,-0.2 0.560 74.2 121.5 -87.6 -12.0 11.8 -7.4 19.0 67 69 A F T 3 S+ 0 0 69 -3,-0.5 403,-0.2 -4,-0.5 402,-0.1 -0.263 81.1 13.2 -54.1 137.7 14.5 -5.8 16.9 68 70 A G T 3 S+ 0 0 53 401,-3.3 -1,-0.3 1,-0.3 402,-0.1 0.218 108.7 105.6 82.3 -14.2 17.8 -7.7 17.0 69 71 A T S X S- 0 0 56 -3,-2.2 3,-2.1 400,-0.3 -1,-0.3 -0.421 91.2 -99.1 -92.9 170.8 16.1 -10.8 18.6 70 72 A A T 3 S+ 0 0 102 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.736 125.3 54.8 -56.2 -22.2 15.2 -14.2 17.2 71 73 A E T 3 S+ 0 0 94 -5,-0.2 -44,-3.2 -44,-0.1 -1,-0.3 0.244 81.0 123.8-100.3 10.9 11.7 -12.7 16.9 72 74 A A S < S- 0 0 12 -3,-2.1 -5,-0.1 398,-0.3 -46,-0.1 -0.317 73.0 -93.5 -65.3 154.7 12.6 -9.6 14.8 73 75 A N - 0 0 4 -10,-0.2 2,-0.3 -48,-0.1 -5,-0.2 -0.404 44.6-107.9 -57.7 140.4 11.0 -9.0 11.5 74 76 A A - 0 0 41 8,-0.3 2,-0.5 7,-0.2 10,-0.1 -0.606 29.9-163.6 -70.2 131.3 13.0 -10.4 8.6 75 77 A V + 0 0 14 -2,-0.3 2,-0.3 391,-0.2 395,-0.1 -0.830 31.4 146.9-117.5 89.0 14.6 -7.5 6.6 76 78 A H - 0 0 110 -2,-0.5 -2,-0.0 4,-0.4 382,-0.0 -0.955 57.6-126.7-129.2 149.1 15.6 -9.1 3.3 77 79 A R S S+ 0 0 82 -2,-0.3 2,-0.2 4,-0.0 -1,-0.1 0.864 97.2 29.3 -56.2 -39.7 15.8 -7.9 -0.3 78 80 A T S S+ 0 0 79 -3,-0.0 -2,-0.1 3,-0.0 0, 0.0 -0.633 99.1 34.1-120.7 178.6 13.6 -10.8 -1.4 79 81 A G S S- 0 0 48 -2,-0.2 -3,-0.0 8,-0.1 8,-0.0 -0.291 103.4 -0.3 70.3-159.6 10.9 -13.0 -0.0 80 82 A P S S- 0 0 59 0, 0.0 -4,-0.4 0, 0.0 -49,-0.0 -0.095 76.0-111.7 -59.8 149.1 8.2 -11.7 2.4 81 83 A G B > -J 84 0D 3 3,-0.8 3,-1.2 -6,-0.1 -7,-0.2 -0.279 36.9 -98.1 -70.5 167.7 8.2 -8.1 3.6 82 84 A P T 3 S+ 0 0 5 0, 0.0 -8,-0.3 0, 0.0 -52,-0.2 0.875 125.4 47.8 -57.7 -37.9 9.0 -7.2 7.3 83 85 A M T 3 S- 0 0 0 53,-0.1 -50,-0.1 -10,-0.1 54,-0.1 0.534 115.7-117.0 -82.4 -9.0 5.3 -7.0 8.2 84 86 A G B < S+J 81 0D 1 -3,-1.2 -3,-0.8 -10,-0.1 3,-0.4 -0.733 94.5 30.8 117.8 -84.3 4.5 -10.3 6.4 85 87 A P S > S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.303 84.9 109.6 -92.6 9.3 2.1 -10.0 3.4 86 88 A S T 3 S+ 0 0 1 1,-0.3 51,-0.0 -5,-0.1 -52,-0.0 0.663 80.1 43.5 -68.4 -20.2 3.2 -6.4 2.4 87 89 A R T 3 S+ 0 0 57 -3,-0.4 -1,-0.3 -6,-0.0 2,-0.2 0.417 92.6 108.5 -95.6 -3.2 5.0 -7.4 -0.8 88 90 A M < - 0 0 28 -3,-1.5 2,-0.6 1,-0.0 -50,-0.0 -0.504 52.2-161.0 -76.2 142.8 2.3 -9.9 -2.0 89 91 A M - 0 0 26 -2,-0.2 -3,-0.0 2,-0.0 -1,-0.0 -0.925 23.8-158.5-113.2 102.2 -0.0 -9.1 -4.9 90 92 A L - 0 0 3 -2,-0.6 4,-0.1 2,-0.2 -52,-0.1 -0.330 24.0-129.2 -75.8 161.2 -2.9 -11.5 -4.2 91 93 A S S S+ 0 0 34 2,-0.1 115,-0.1 -2,-0.0 -1,-0.1 0.513 93.9 53.2 -82.4 -6.4 -5.2 -12.7 -6.9 92 94 A K S S- 0 0 4 113,-0.1 -2,-0.2 114,-0.0 -44,-0.1 -0.943 91.3 -98.9-134.2 154.5 -8.1 -11.8 -4.6 93 95 A P - 0 0 0 0, 0.0 -44,-2.4 0, 0.0 2,-0.4 -0.300 25.1-157.6 -77.5 153.6 -9.1 -8.6 -2.6 94 96 A V E -c 49 0A 0 -46,-0.2 20,-2.8 18,-0.1 21,-1.2 -0.996 3.8-154.3-127.4 133.7 -8.5 -7.8 1.1 95 97 A I E -cd 50 115A 0 -46,-2.2 -44,-2.5 -2,-0.4 2,-0.5 -0.927 13.2-138.2-107.9 128.0 -10.5 -5.3 3.2 96 98 A A E -cd 51 116A 0 19,-3.3 21,-3.3 -2,-0.5 2,-0.8 -0.755 7.2-158.2 -86.0 125.0 -8.9 -3.7 6.2 97 99 A A E - d 0 117A 1 -46,-3.3 2,-0.7 -2,-0.5 -44,-0.4 -0.917 20.2-160.3 -99.2 104.7 -11.2 -3.4 9.2 98 100 A V E + d 0 118A 0 19,-3.2 21,-2.4 -2,-0.8 2,-0.3 -0.807 20.8 163.8-104.3 110.2 -9.5 -0.6 11.1 99 101 A S - 0 0 9 -2,-0.7 -41,-1.8 2,-0.2 -40,-0.2 -0.845 63.3 -17.8-112.2 155.5 -10.2 -0.2 14.8 100 102 A G S S+ 0 0 22 -2,-0.3 23,-3.1 -43,-0.3 2,-0.4 -0.260 120.8 4.3 53.4-121.9 -8.0 2.0 17.2 101 103 A Y E + h 0 123C 120 21,-0.2 -42,-2.7 -79,-0.1 -43,-0.6 -0.789 42.1 177.8-102.6 133.2 -4.6 2.5 15.5 102 104 A A E +gh 59 124C 0 21,-2.8 23,-1.6 -2,-0.4 2,-0.3 -0.863 38.3 155.0-118.4 96.4 -3.2 1.6 12.1 103 105 A V E > - h 0 125C 6 -44,-1.8 3,-2.5 -2,-0.4 23,-0.2 -0.922 48.4 -22.4-127.6 147.9 0.3 3.2 12.4 104 106 A A T >> S+ 0 0 3 21,-2.5 4,-2.3 -2,-0.3 3,-0.8 -0.338 139.2 3.7 60.1-128.7 3.7 2.8 10.9 105 107 A G H 3> S+ 0 0 7 1,-0.3 4,-2.0 -45,-0.2 -1,-0.3 0.815 135.2 58.4 -55.5 -29.8 3.9 -0.8 9.6 106 108 A G H <> S+ 0 0 0 -3,-2.5 4,-1.8 2,-0.2 -1,-0.3 0.865 105.1 49.1 -68.5 -35.9 0.2 -1.2 10.6 107 109 A L H <> S+ 0 0 2 -3,-0.8 4,-2.3 18,-0.3 -2,-0.2 0.912 108.5 55.0 -64.2 -40.8 -0.7 1.8 8.3 108 110 A E H X S+ 0 0 5 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.890 106.6 49.4 -62.8 -37.6 1.3 -0.0 5.6 109 111 A L H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.887 110.6 50.4 -65.4 -40.6 -0.8 -3.2 6.1 110 112 A A H < S+ 0 0 0 -4,-1.8 -14,-0.2 1,-0.2 -2,-0.2 0.875 110.8 49.4 -64.8 -35.1 -4.0 -1.1 5.8 111 113 A L H < S+ 0 0 4 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.787 106.5 57.3 -72.5 -28.4 -2.6 0.5 2.6 112 114 A W H < S+ 0 0 21 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.783 92.1 85.1 -73.2 -31.1 -1.8 -2.9 1.2 113 115 A C S < S- 0 0 3 -4,-1.4 -18,-0.2 1,-0.1 3,-0.1 -0.326 87.0-125.3 -66.4 155.4 -5.4 -3.9 1.7 114 116 A D S S+ 0 0 6 -20,-2.8 2,-0.3 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0, 0.0 2,-0.7 0, 0.0 301,-0.1 -0.212 25.5-103.0 -67.1 153.4 11.9 3.9 7.5 135 137 A L + 0 0 1 299,-0.2 5,-0.2 1,-0.1 325,-0.1 -0.680 54.8 153.2 -69.8 112.9 8.8 2.9 5.6 136 138 A I + 0 0 14 -2,-0.7 -1,-0.1 1,-0.1 -53,-0.1 -0.008 53.1 76.1-136.9 22.2 9.8 -0.5 4.0 137 139 A D S S- 0 0 8 -56,-0.1 -25,-0.1 -55,-0.1 -1,-0.1 -0.116 121.6 -80.9-122.5 34.0 6.4 -2.3 3.7 138 140 A G S >> S+ 0 0 0 316,-0.1 4,-3.7 -3,-0.1 3,-1.0 0.367 91.0 128.7 90.6 -2.0 5.2 -0.3 0.7 139 141 A G H 3> S+ 0 0 3 1,-0.3 4,-1.9 2,-0.2 17,-0.1 0.856 76.5 48.1 -51.8 -42.6 4.0 2.9 2.5 140 142 A T H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 305,-0.2 0.720 118.1 42.0 -76.7 -18.1 6.0 5.2 0.2 141 143 A V H <> S+ 0 0 0 -3,-1.0 4,-0.7 2,-0.1 -2,-0.2 0.903 122.0 37.1 -89.3 -47.5 4.8 3.3 -2.9 142 144 A R H X S+ 0 0 17 -4,-3.7 4,-2.6 1,-0.2 3,-0.4 0.914 106.4 60.5 -76.2 -48.2 1.1 2.9 -1.9 143 145 A L H X S+ 0 0 2 -4,-1.9 4,-2.6 -5,-0.3 5,-0.4 0.900 106.4 45.3 -53.9 -50.7 0.2 6.1 -0.1 144 146 A P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.867 115.4 49.5 -65.7 -26.8 0.8 8.5 -2.9 145 147 A R H < S+ 0 0 12 -4,-0.7 1212,-2.6 -3,-0.4 -2,-0.2 0.894 114.4 44.4 -73.2 -40.4 -1.0 6.2 -5.3 146 148 A L H < S+ 0 0 9 -4,-2.6 1212,-1.0 1210,-0.2 1213,-0.4 0.879 134.7 12.1 -67.7 -44.8 -4.0 5.9 -3.0 147 149 A I H < S- 0 0 15 -4,-2.6 4,-0.4 -5,-0.2 -2,-0.2 0.408 112.4 -96.7-123.5 2.8 -4.5 9.5 -2.0 148 150 A G X - 0 0 10 -4,-1.6 4,-2.1 -5,-0.4 232,-0.2 0.085 40.3 -83.7 90.2 154.0 -2.2 11.5 -4.4 149 151 A H H > S+ 0 0 7 230,-3.0 4,-2.9 2,-0.2 231,-0.2 0.836 119.3 56.6 -61.3 -41.7 1.3 12.8 -3.8 150 152 A S H > S+ 0 0 0 230,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.968 113.8 37.6 -62.0 -53.5 0.5 16.0 -2.0 151 153 A R H > S+ 0 0 41 229,-0.5 4,-2.3 -4,-0.4 -1,-0.2 0.890 116.0 54.0 -65.6 -39.3 -1.5 14.4 0.8 152 154 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.931 108.3 49.6 -55.4 -46.6 0.8 11.4 1.0 153 155 A M H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.4 0.904 107.2 55.5 -64.1 -40.8 3.8 13.7 1.4 154 156 A D H X S+ 0 0 3 -4,-2.1 4,-2.3 -5,-0.2 6,-0.4 0.968 114.2 39.7 -49.2 -58.4 1.9 15.6 4.2 155 157 A M H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -29,-0.4 0.897 118.1 47.9 -60.6 -44.7 1.4 12.3 6.1 156 158 A I H < S+ 0 0 0 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.929 116.7 40.8 -64.9 -48.3 4.9 10.9 5.3 157 159 A L H < S+ 0 0 0 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.957 124.1 35.5 -67.6 -48.7 6.9 14.0 6.2 158 160 A T H < S- 0 0 27 -4,-2.3 -2,-0.2 -5,-0.4 -1,-0.2 0.789 84.2-146.8 -79.5 -27.3 4.9 15.0 9.4 159 161 A G < + 0 0 12 -4,-1.9 -29,-0.1 -5,-0.3 -4,-0.1 0.618 43.5 164.3 65.4 14.6 4.2 11.5 10.7 160 162 A R - 0 0 63 -6,-0.4 -34,-0.5 -5,-0.2 2,-0.2 -0.211 42.1-104.6 -71.0 152.1 0.9 13.2 11.9 161 163 A A E -I 125 0C 48 -36,-0.2 2,-0.5 -3,-0.1 -36,-0.2 -0.517 28.5-157.1 -69.3 139.6 -2.2 11.3 13.1 162 164 A V E -I 124 0C 0 -38,-3.1 -38,-2.9 -2,-0.2 2,-0.1 -0.978 10.9-146.3-122.1 116.8 -5.1 11.3 10.7 163 165 A Q E > -I 123 0C 118 -2,-0.5 4,-2.7 -40,-0.2 3,-0.2 -0.334 30.3 -97.7 -82.6 164.7 -8.5 10.6 12.3 164 166 A A H > S+ 0 0 0 -42,-1.1 4,-2.6 -44,-0.5 9,-0.2 0.810 118.4 53.8 -52.4 -38.4 -11.3 8.8 10.6 165 167 A D H > S+ 0 0 98 -45,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.944 114.0 39.7 -69.3 -46.8 -13.2 11.8 9.3 166 168 A E H > S+ 0 0 65 -3,-0.2 4,-2.2 2,-0.2 6,-0.3 0.902 112.6 58.9 -64.6 -41.1 -10.2 13.4 7.5 167 169 A A H <>S+ 0 0 0 -4,-2.7 5,-1.9 1,-0.2 6,-1.2 0.908 109.0 43.6 -53.2 -48.0 -9.2 9.9 6.4 168 170 A L H ><5S+ 0 0 72 -4,-2.6 3,-1.0 4,-0.2 -1,-0.2 0.895 110.6 55.8 -64.3 -41.0 -12.6 9.5 4.6 169 171 A A H 3<5S+ 0 0 64 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.845 114.1 39.4 -62.1 -31.6 -12.4 13.0 3.2 170 172 A I T 3<5S- 0 0 11 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.392 117.3-107.9-101.4 2.8 -9.0 12.3 1.5 171 173 A G T < 5S+ 0 0 2 -3,-1.0 -3,-0.2 -4,-0.4 -4,-0.1 0.482 88.1 118.1 84.7 3.8 -9.8 8.7 0.4 172 174 A L S - 0 0 68 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.199 66.0 -76.6 -61.6 157.1 -19.4 3.4 14.4 179 181 A N T 3 S+ 0 0 76 1,-0.2 -80,-0.1 2,-0.1 -61,-0.0 -0.172 117.8 21.2 -50.9 141.5 -16.9 2.2 17.0 180 182 A G T 3 S+ 0 0 65 -3,-0.1 4,-0.3 -124,-0.1 -1,-0.2 0.284 106.3 85.7 83.2 -9.5 -16.7 -1.6 17.4 181 183 A Q <> + 0 0 101 -3,-1.8 4,-3.1 1,-0.1 5,-0.2 0.351 52.3 97.0-106.5 3.5 -18.3 -2.3 14.0 182 184 A A H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.924 86.7 48.0 -62.3 -46.9 -15.4 -2.2 11.5 183 185 A R H > S+ 0 0 71 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.942 115.1 45.4 -57.9 -50.6 -14.9 -6.0 11.4 184 186 A Q H > S+ 0 0 47 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.937 114.8 46.8 -61.2 -48.9 -18.7 -6.6 10.9 185 187 A A H X S+ 0 0 25 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.912 113.7 48.9 -60.7 -41.2 -19.0 -3.9 8.2 186 188 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.935 111.0 50.5 -61.7 -48.0 -15.9 -5.2 6.4 187 189 A E H X S+ 0 0 51 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.846 111.7 47.7 -60.1 -34.9 -17.2 -8.8 6.6 188 190 A E H X S+ 0 0 124 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.886 111.9 49.0 -71.9 -39.4 -20.6 -7.6 5.1 189 191 A L H X S+ 0 0 16 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.898 110.2 53.0 -65.0 -38.8 -18.8 -5.7 2.4 190 192 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.859 106.8 51.2 -60.9 -43.0 -16.7 -8.8 1.7 191 193 A A H X S+ 0 0 51 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.874 108.0 53.3 -62.9 -39.6 -19.8 -11.0 1.3 192 194 A Q H X S+ 0 0 118 -4,-1.9 4,-0.5 2,-0.2 3,-0.2 0.922 111.4 45.2 -59.6 -43.7 -21.2 -8.5 -1.2 193 195 A L H >< S+ 0 0 2 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.872 109.7 55.1 -67.5 -39.0 -18.0 -8.7 -3.3 194 196 A A H 3< S+ 0 0 15 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.748 101.6 58.7 -66.3 -27.3 -18.0 -12.5 -3.0 195 197 A A H 3< S+ 0 0 86 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.665 91.7 88.7 -73.5 -19.8 -21.6 -12.6 -4.5 196 198 A L S << S- 0 0 41 -3,-0.9 2,-0.3 -4,-0.5 1142,-0.1 -0.315 103.1 -77.6 -78.6 160.6 -20.5 -10.8 -7.6 197 199 A P > - 0 0 54 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 -0.511 52.5-155.3 -61.5 123.6 -19.2 -12.6 -10.8 198 200 A Q H > S+ 0 0 30 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.815 76.5 57.5 -85.2 -41.3 -15.6 -13.3 -9.6 199 201 A Q H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.887 110.9 46.7 -62.3 -38.3 -13.3 -13.7 -12.6 200 202 A C H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 1143,-0.3 0.877 111.5 50.8 -66.4 -43.4 -14.2 -10.2 -13.9 201 203 A L H X S+ 0 0 0 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.924 113.6 45.7 -58.2 -46.9 -13.8 -8.6 -10.4 202 204 A R H X S+ 0 0 36 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.851 114.4 47.1 -69.8 -36.1 -10.4 -10.2 -10.0 203 205 A S H X S+ 0 0 9 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.967 112.8 47.8 -69.3 -54.4 -9.2 -9.3 -13.5 204 206 A D H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.910 113.7 49.7 -49.9 -45.6 -10.3 -5.7 -13.3 205 207 A R H X S+ 0 0 9 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.926 110.6 47.4 -65.1 -47.7 -8.7 -5.5 -9.9 206 208 A L H X S+ 0 0 19 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.888 112.2 50.8 -60.9 -40.6 -5.3 -6.9 -11.0 207 209 A S H X S+ 0 0 3 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.924 109.0 50.7 -60.9 -42.9 -5.3 -4.7 -14.0 208 210 A A H < S+ 0 0 0 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.792 115.4 44.7 -66.0 -32.3 -6.0 -1.6 -11.8 209 211 A L H >< S+ 0 0 18 -4,-1.7 3,-0.7 -5,-0.2 241,-0.3 0.922 115.9 43.2 -73.5 -52.4 -3.1 -2.6 -9.6 210 212 A Q H 3< S+ 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-28.5 -8.8 26.1 -18.2 393 161 B G < + 0 0 0 -4,-1.8 -29,-0.1 -5,-0.4 -4,-0.1 0.530 44.3 162.8 70.7 10.2 -6.0 28.2 -16.7 394 162 B R - 0 0 55 -6,-0.3 -34,-0.5 1,-0.1 -1,-0.2 -0.131 44.2 -99.4 -69.3 154.8 -8.6 29.1 -14.1 395 163 B A - 0 0 46 -36,-0.2 2,-0.5 -3,-0.1 -36,-0.2 -0.465 30.0-158.0 -66.5 135.7 -8.0 30.6 -10.6 396 164 B V E -S 358 0G 0 -38,-3.3 -38,-2.6 -2,-0.2 2,-0.1 -0.946 11.6-147.6-117.4 111.4 -8.0 28.1 -7.7 397 165 B Q E > -S 357 0G 112 -2,-0.5 4,-2.8 -40,-0.2 3,-0.3 -0.382 28.2-104.3 -75.8 158.8 -8.7 29.8 -4.3 398 166 B A H > S+ 0 0 0 -42,-1.5 4,-2.5 -44,-0.3 5,-0.2 0.774 118.2 56.1 -51.4 -36.9 -7.2 28.5 -1.1 399 167 B D H > S+ 0 0 102 -45,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.961 113.6 39.5 -65.3 -49.1 -10.4 26.9 0.1 400 168 B E H > S+ 0 0 63 -3,-0.3 4,-2.0 2,-0.2 6,-0.3 0.874 112.7 58.8 -62.0 -38.7 -10.8 24.8 -3.1 401 169 B A H <>S+ 0 0 0 -4,-2.8 5,-1.4 1,-0.2 6,-1.3 0.920 108.2 44.2 -59.2 -44.2 -7.0 24.2 -3.0 402 170 B L H ><5S+ 0 0 77 -4,-2.5 3,-1.1 4,-0.2 -1,-0.2 0.917 110.4 55.0 -63.0 -47.0 -7.3 22.6 0.4 403 171 B A H 3<5S+ 0 0 66 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.830 113.5 42.1 -58.4 -35.3 -10.4 20.5 -0.6 404 172 B I T 3<5S- 0 0 10 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.394 116.5-106.5 -96.7 0.9 -8.5 19.0 -3.6 405 173 B G T < 5S+ 0 0 3 -3,-1.1 -3,-0.2 -4,-0.5 -4,-0.1 0.377 90.7 112.3 93.0 -3.6 -5.1 18.4 -2.0 406 174 B L S - 0 0 75 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.228 65.6 -78.8 -56.0 149.7 -4.8 33.4 7.9 413 181 B N T 3 S+ 0 0 80 1,-0.3 -80,-0.1 2,-0.1 -61,-0.0 -0.116 118.1 23.4 -43.5 141.9 -3.4 36.1 5.6 414 182 B G T 3 S+ 0 0 60 -3,-0.1 4,-0.3 1,-0.1 -1,-0.3 0.284 106.2 87.3 81.0 -11.6 0.1 37.3 6.4 415 183 B Q <> + 0 0 90 -3,-1.9 4,-2.9 1,-0.1 5,-0.2 0.486 51.2 92.6-107.9 1.1 0.8 34.0 8.1 416 184 B A H > S+ 0 0 1 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.924 88.7 50.5 -57.8 -48.8 2.1 31.5 5.5 417 185 B R H > S+ 0 0 72 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.952 115.3 43.1 -55.6 -52.2 5.8 32.3 6.0 418 186 B Q H > S+ 0 0 116 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.902 115.2 48.0 -58.8 -49.2 5.5 31.9 9.8 419 187 B A H X S+ 0 0 24 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.893 115.0 46.4 -62.3 -40.7 3.3 28.7 9.5 420 188 B A H X S+ 0 0 0 -4,-3.1 4,-3.0 -5,-0.2 -2,-0.2 0.869 112.3 48.8 -68.9 -39.6 5.8 27.1 7.0 421 189 B E H X S+ 0 0 44 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.837 113.2 49.1 -70.9 -31.8 8.9 28.0 8.9 422 190 B E H X S+ 0 0 105 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.962 112.5 46.4 -63.9 -56.8 7.2 26.5 12.0 423 191 B L H X S+ 0 0 15 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.921 111.1 54.0 -54.2 -46.5 6.3 23.4 10.1 424 192 B A H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.891 106.4 51.8 -51.9 -46.1 9.8 23.3 8.8 425 193 B A H X S+ 0 0 51 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.937 108.4 50.6 -60.4 -50.1 11.3 23.4 12.3 426 194 B Q H >X S+ 0 0 111 -4,-2.3 4,-0.6 1,-0.2 3,-0.6 0.922 112.6 47.4 -50.4 -46.2 9.1 20.5 13.5 427 195 B L H >< S+ 0 0 2 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.893 107.3 55.8 -65.9 -39.6 10.3 18.5 10.5 428 196 B A H 3< S+ 0 0 13 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.716 103.2 56.5 -64.5 -25.8 14.0 19.4 11.2 429 197 B A H << S+ 0 0 89 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.618 91.1 90.4 -80.1 -16.5 13.7 18.0 14.7 430 198 B L S << S- 0 0 35 -3,-1.1 2,-0.2 -4,-0.6 -300,-0.1 -0.408 104.0 -76.6 -77.7 159.3 12.6 14.6 13.4 431 199 B P > - 0 0 51 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 -0.407 50.7-153.3 -60.3 121.2 15.1 11.9 12.7 432 200 B Q H > S+ 0 0 33 -2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.811 77.8 59.1 -77.7 -35.4 16.4 13.2 9.4 433 201 B Q H > S+ 0 0 135 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.902 108.8 42.6 -59.8 -52.3 17.7 10.1 7.6 434 202 B C H > S+ 0 0 14 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.895 113.1 53.9 -63.7 -46.0 14.4 8.2 7.5 435 203 B L H X S+ 0 0 0 -4,-1.3 4,-2.6 1,-0.2 -2,-0.2 0.952 111.1 46.8 -51.0 -51.5 12.5 11.3 6.6 436 204 B R H X S+ 0 0 48 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.866 115.1 44.1 -65.1 -39.2 14.8 11.9 3.6 437 205 B S H X S+ 0 0 24 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.921 112.9 51.0 -70.8 -46.0 14.7 8.3 2.3 438 206 B D H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.958 112.3 48.5 -54.3 -51.7 10.9 8.0 2.8 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40.7 -56.1 -55.6 30.9 -27.8 -18.1 1152 186 E Q H > S+ 0 0 61 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.912 115.5 50.1 -61.4 -49.9 34.6 -27.6 -17.6 1153 187 E A H X S+ 0 0 29 -4,-3.7 4,-2.4 2,-0.2 -1,-0.2 0.935 113.8 46.4 -52.7 -47.5 35.1 -24.4 -19.5 1154 188 E A H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.3 -2,-0.2 0.896 111.4 50.9 -64.7 -41.3 32.2 -22.7 -17.5 1155 189 E E H X S+ 0 0 54 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.875 110.9 49.2 -64.5 -36.0 33.5 -24.0 -14.2 1156 190 E E H X S+ 0 0 51 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.920 112.4 47.6 -68.4 -43.0 37.0 -22.6 -15.0 1157 191 E L H X S+ 0 0 15 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.910 111.0 52.2 -62.5 -42.5 35.5 -19.2 -16.0 1158 192 E A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.906 108.8 49.6 -58.2 -48.4 33.4 -19.3 -12.7 1159 193 E A H X S+ 0 0 51 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.897 109.7 52.0 -58.1 -42.0 36.6 -19.9 -10.7 1160 194 E Q H >< S+ 0 0 124 -4,-2.3 3,-0.6 1,-0.2 4,-0.4 0.929 111.7 46.8 -61.5 -42.7 38.3 -17.0 -12.5 1161 195 E L H >< S+ 0 0 2 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.856 108.4 55.1 -63.9 -38.9 35.4 -14.8 -11.6 1162 196 E A H 3< S+ 0 0 16 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.668 101.4 59.8 -70.2 -18.0 35.4 -16.0 -8.0 1163 197 E A T << S+ 0 0 87 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.592 90.9 86.5 -86.2 -16.6 39.0 -15.0 -7.6 1164 198 E L S < S- 0 0 36 -3,-1.1 2,-0.2 -4,-0.4 -319,-0.1 -0.369 104.2 -76.0 -80.2 161.8 38.3 -11.3 -8.5 1165 199 E P > - 0 0 35 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 -0.475 52.2-155.0 -63.5 128.7 37.2 -8.8 -5.8 1166 200 E Q H > S+ 0 0 23 -2,-0.2 4,-2.5 2,-0.2 5,-0.2 0.825 77.5 55.1 -83.7 -41.1 33.6 -9.7 -5.3 1167 201 E Q H > S+ 0 0 85 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.926 112.1 48.2 -61.3 -42.3 31.5 -6.8 -4.0 1168 202 E C H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.916 111.1 48.4 -62.0 -47.5 32.6 -4.7 -7.0 1169 203 E L H X S+ 0 0 0 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.925 113.8 48.9 -60.2 -42.9 31.8 -7.5 -9.5 1170 204 E R H X S+ 0 0 40 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.867 112.0 47.4 -65.2 -40.2 28.4 -7.9 -7.8 1171 205 E S H X S+ 0 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-36,-0.2 -0.513 28.2-158.7 -73.3 137.3 -23.4 3.9 -8.2 1370 164 F V E -G 1332 0W 0 -38,-2.9 -38,-2.7 -2,-0.2 -1,-0.0 -0.959 13.6-147.2-121.2 110.9 -21.7 7.2 -7.8 1371 165 F Q E > -G 1331 0W 110 -2,-0.5 4,-2.4 -40,-0.2 -40,-0.2 -0.213 29.2-100.5 -74.5 167.3 -24.1 10.1 -7.9 1372 166 F A H > S+ 0 0 0 -42,-0.8 4,-2.1 -44,-0.5 9,-0.2 0.837 119.0 54.1 -66.3 -35.5 -23.0 13.5 -9.2 1373 167 F D H > S+ 0 0 99 -45,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.939 113.1 42.1 -62.9 -48.3 -22.4 15.2 -5.9 1374 168 F E H > S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 6,-0.3 0.911 112.2 56.3 -62.8 -39.9 -20.0 12.4 -4.7 1375 169 F A H X>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 6,-1.7 0.893 108.9 46.5 -60.9 -38.3 -18.4 12.4 -8.2 1376 170 F L H ><5S+ 0 0 77 -4,-2.1 3,-1.0 4,-0.2 -1,-0.2 0.938 111.1 52.0 -65.0 -46.8 -17.7 16.1 -7.8 1377 171 F A H 3<5S+ 0 0 68 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.863 114.0 43.5 -59.5 -34.6 -16.3 15.6 -4.3 1378 172 F I H 3<5S- 0 0 10 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.449 116.4-108.9 -95.6 -0.4 -13.9 12.8 -5.5 1379 173 F G T <<5S+ 0 0 2 -3,-1.0 -3,-0.2 -4,-0.6 -4,-0.1 0.497 89.5 114.5 91.4 4.1 -12.8 14.6 -8.6 1380 174 F L S - 0 0 80 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.153 66.0 -79.2 -54.9 154.8 -28.7 21.4 -13.6 1387 181 F N T 3 S+ 0 0 82 1,-0.2 -80,-0.1 2,-0.1 -61,-0.0 -0.278 119.1 20.6 -56.5 139.7 -30.5 18.5 -15.4 1388 182 F G T 3 S+ 0 0 64 -3,-0.1 4,-0.3 -124,-0.0 -1,-0.2 0.205 106.3 90.1 80.1 -13.3 -30.7 18.9 -19.2 1389 183 F Q <> + 0 0 97 -3,-1.7 4,-2.9 1,-0.1 5,-0.3 0.479 51.4 94.0 -90.8 -7.2 -27.8 21.4 -19.1 1390 184 F A H > S+ 0 0 1 1,-0.2 4,-3.3 -4,-0.2 5,-0.2 0.909 87.5 47.4 -58.1 -47.6 -24.6 19.1 -19.5 1391 185 F R H > S+ 0 0 72 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.934 115.8 43.8 -58.3 -47.1 -24.3 19.5 -23.2 1392 186 F Q H > S+ 0 0 50 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.915 116.1 47.4 -68.4 -44.1 -24.8 23.3 -23.2 1393 187 F A H X S+ 0 0 25 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.942 114.1 47.6 -61.0 -44.1 -22.4 23.7 -20.3 1394 188 F A H X S+ 0 0 0 -4,-3.3 4,-2.7 -5,-0.3 -2,-0.2 0.917 112.2 50.3 -63.8 -41.2 -19.9 21.4 -22.0 1395 189 F E H X S+ 0 0 45 -4,-3.0 4,-1.6 -5,-0.2 -1,-0.2 0.837 111.4 48.4 -65.7 -31.4 -20.2 23.3 -25.3 1396 190 F E H X S+ 0 0 131 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.892 112.0 47.9 -74.3 -47.5 -19.7 26.6 -23.4 1397 191 F L H X S+ 0 0 12 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.914 111.0 52.6 -53.8 -46.8 -16.6 25.3 -21.6 1398 192 F A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.895 107.7 50.7 -58.2 -43.5 -15.3 24.0 -25.0 1399 193 F A H X S+ 0 0 49 -4,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.836 109.0 51.8 -64.8 -35.5 -15.8 27.4 -26.6 1400 194 F Q H >< S+ 0 0 114 -4,-1.7 3,-0.7 2,-0.2 4,-0.2 0.929 112.1 46.1 -64.4 -43.9 -13.8 29.0 -23.7 1401 195 F L H >< S+ 0 0 2 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.906 108.5 56.6 -64.0 -42.0 -11.0 26.5 -24.3 1402 196 F A H 3< S+ 0 0 16 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.692 98.9 62.1 -61.5 -20.8 -11.1 27.1 -28.0 1403 197 F A T << S+ 0 0 88 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.499 90.0 86.2 -87.1 -6.6 -10.5 30.8 -27.5 1404 198 F L S < S- 0 0 42 -3,-1.6 2,-0.3 -4,-0.2 -1040,-0.1 -0.448 102.6 -72.0 -94.0 165.2 -7.2 30.3 -25.9 1405 199 F P > - 0 0 53 0, 0.0 4,-1.6 0, 0.0 -1039,-0.1 -0.470 54.8-158.5 -58.1 118.1 -3.7 30.0 -27.5 1406 200 F Q H > S+ 0 0 32 -2,-0.3 4,-3.1 2,-0.2 5,-0.2 0.894 76.8 52.8 -81.2 -50.5 -4.1 26.5 -28.9 1407 201 F Q H > S+ 0 0 51 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.910 113.9 47.9 -52.5 -44.0 -0.7 25.0 -29.5 1408 202 F C H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.934 112.0 47.0 -65.2 -49.9 0.3 25.8 -26.0 1409 203 F L H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.926 116.0 47.3 -53.7 -45.9 -2.9 24.3 -24.5 1410 204 F R H X S+ 0 0 52 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.881 111.8 48.1 -69.1 -37.4 -2.5 21.2 -26.6 1411 205 F S H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.904 111.7 49.1 -73.0 -41.5 1.1 20.7 -25.8 1412 206 F D H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.913 112.5 50.5 -60.1 -42.7 0.6 21.1 -22.0 1413 207 F R H X S+ 0 0 9 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.961 110.2 47.9 -58.3 -52.8 -2.3 18.6 -22.2 1414 208 F L H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.843 111.1 51.2 -63.1 -34.3 -0.3 16.0 -24.1 1415 209 F S H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.891 108.8 51.2 -66.8 -41.0 2.7 16.3 -21.7 1416 210 F A H < S+ 0 0 0 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.777 112.4 48.1 -65.7 -30.8 0.3 15.8 -18.7 1417 211 F L H >< S+ 0 0 26 -4,-1.7 3,-0.8 -5,-0.2 -2,-0.2 0.930 115.8 41.2 -71.1 -47.3 -1.1 12.7 -20.4 1418 212 F Q H 3< S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.657 95.8 76.2 -85.8 -13.3 2.2 11.1 -21.3 1419 213 F Q T >< + 0 0 0 -4,-1.8 3,-2.7 -1045,-0.2 -1,-0.2 0.792 68.7 110.9 -61.1 -29.2 4.1 11.9 -18.0 1420 214 F W T < S+ 0 0 16 -3,-0.8 -1204,-0.3 -4,-0.3 -973,-0.1 -0.230 89.1 8.9 -52.4 123.7 2.1 9.0 -16.3 1421 215 F G T 3 S+ 0 0 9 -975,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.229 102.1 121.2 90.3 -14.8 4.5 6.2 -15.6 1422 216 F L < - 0 0 7 -3,-2.7 -1,-0.3 -4,-0.1 -974,-0.2 -0.645 69.4-112.9 -86.8 138.7 7.7 8.2 -16.4 1423 217 F P >> - 0 0 22 0, 0.0 4,-2.5 0, 0.0 3,-0.7 -0.371 40.9-106.2 -57.5 148.8 10.5 8.9 -14.0 1424 218 F E H 3> S+ 0 0 24 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.823 117.3 53.5 -55.7 -37.7 10.5 12.6 -13.3 1425 219 F S H 3> S+ 0 0 31 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.881 111.4 43.9 -68.3 -39.1 13.6 13.3 -15.4 1426 220 F A H <> S+ 0 0 1 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.914 113.1 52.6 -70.7 -41.6 12.2 11.6 -18.6 1427 221 F A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.892 107.5 52.4 -60.0 -40.5 8.8 13.3 -18.0 1428 222 F L H X S+ 0 0 18 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.868 107.9 51.0 -61.6 -39.4 10.6 16.7 -17.8 1429 223 F D H X S+ 0 0 45 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.932 111.4 48.5 -60.6 -48.4 12.4 16.0 -21.1 1430 224 F L H < S+ 0 0 2 -4,-2.5 4,-0.3 1,-0.2 3,-0.2 0.880 114.1 46.0 -62.9 -38.5 9.1 15.2 -22.7 1431 225 F E H >< S+ 0 0 2 -4,-2.3 3,-1.8 1,-0.2 4,-0.3 0.873 102.7 64.6 -69.3 -38.3 7.5 18.3 -21.3 1432 226 F F H >X S+ 0 0 20 -4,-2.3 3,-1.9 1,-0.3 4,-0.5 0.830 86.9 71.5 -57.7 -35.6 10.5 20.5 -22.3 1433 227 F A H 3X S+ 0 0 0 -4,-1.2 4,-2.2 1,-0.3 3,-0.4 0.700 77.9 80.5 -52.0 -27.9 9.7 19.9 -26.0 1434 228 F S H <> S+ 0 0 0 -3,-1.8 4,-2.7 -4,-0.3 -1,-0.3 0.787 85.1 58.6 -46.9 -37.7 6.6 22.1 -25.6 1435 229 F I H <> S+ 0 0 43 -3,-1.9 4,-2.4 -4,-0.3 -1,-0.2 0.925 107.2 46.3 -67.6 -39.4 8.8 25.2 -26.0 1436 230 F S H X S+ 0 0 21 -4,-0.5 4,-3.0 -3,-0.4 5,-0.2 0.948 113.4 49.8 -61.8 -47.1 10.0 24.0 -29.4 1437 231 F R H X S+ 0 0 5 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.911 113.5 44.3 -60.0 -45.4 6.4 23.2 -30.4 1438 232 F V H X S+ 0 0 26 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.917 114.7 50.1 -64.1 -44.0 5.0 26.6 -29.4 1439 233 F A H X S+ 0 0 35 -4,-2.4 4,-3.2 -5,-0.2 5,-0.2 0.930 111.2 47.4 -63.6 -47.1 8.0 28.4 -31.0 1440 234 F A H X S+ 0 0 2 -4,-3.0 4,-3.3 2,-0.2 5,-0.3 0.939 112.2 50.9 -57.9 -49.2 7.6 26.5 -34.3 1441 235 F E H X S+ 0 0 95 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.896 114.7 43.8 -50.0 -46.7 3.9 27.3 -34.3 1442 236 F A H X S+ 0 0 63 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.875 117.0 44.8 -69.8 -42.4 4.6 31.0 -33.7 1443 237 F L H X S+ 0 0 58 -4,-3.2 4,-1.0 2,-0.2 -2,-0.2 0.899 115.9 45.7 -70.0 -40.3 7.4 31.2 -36.2 1444 238 F E H < S+ 0 0 96 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.881 108.5 57.1 -69.6 -39.5 5.5 29.3 -39.0 1445 239 F G H < S+ 0 0 68 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.876 111.1 43.3 -57.2 -42.1 2.3 31.3 -38.3 1446 240 F A H < 0 0 94 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.702 360.0 360.0 -71.5 -24.2 4.3 34.5 -39.0 1447 241 F G < 0 0 90 -4,-1.0 -3,-0.1 -5,-0.1 -497,-0.0 -0.170 360.0 360.0 -76.2 360.0 6.0 32.7 -42.1