==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 15-MAY-13 4KQX . COMPND 2 MOLECULE: KETOL-ACID REDUCTOISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SLACKIA EXIGUA; . AUTHOR S.BRINKMANN-CHEN,T.FLOCK,J.K.B.CAHN,C.D.SNOW,E.M.BRUSTAD, . 658 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23704.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 534 81.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 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 . 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 . 35 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 300 45.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 4.6 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 1 3 0 7 4 1 1 9 3 0 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 7 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 0 PARALLEL BRIDGES PER LADDER . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 14 A I 0 0 76 0, 0.0 2,-0.3 0, 0.0 176,-0.2 0.000 360.0 360.0 360.0 133.4 13.3 0.6 6.8 2 15 A L B +A 176 0A 38 174,-3.0 174,-2.4 2,-0.0 2,-0.2 -0.683 360.0 179.0 -98.6 149.2 15.7 -2.3 6.0 3 16 A Y > - 0 0 23 -2,-0.3 3,-1.7 172,-0.2 4,-0.2 -0.529 49.7 -64.6-131.5-172.7 18.6 -2.4 3.6 4 17 A E G > S+ 0 0 84 168,-0.8 3,-1.3 1,-0.3 169,-0.1 0.853 127.6 54.5 -49.5 -40.6 21.3 -4.8 2.3 5 18 A Q G 3 S+ 0 0 142 1,-0.3 -1,-0.3 167,-0.1 -3,-0.0 0.661 103.4 59.4 -70.2 -14.0 23.1 -5.0 5.7 6 19 A D G < S+ 0 0 73 -3,-1.7 2,-0.3 166,-0.1 -1,-0.3 0.413 101.4 58.9 -94.1 0.5 19.9 -6.1 7.3 7 20 A V S < S- 0 0 18 -3,-1.3 157,-0.1 -4,-0.2 153,-0.1 -0.902 72.0-129.9-133.9 157.9 19.3 -9.2 5.2 8 21 A D >> - 0 0 79 -2,-0.3 3,-1.1 152,-0.3 4,-0.6 -0.913 10.7-167.2-116.6 104.1 21.0 -12.5 4.4 9 22 A P H >> S+ 0 0 38 0, 0.0 4,-2.2 0, 0.0 3,-0.9 0.875 83.0 66.5 -53.0 -39.1 21.3 -13.3 0.7 10 23 A K H 3> S+ 0 0 159 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.731 87.5 69.4 -62.4 -27.0 22.4 -17.0 1.4 11 24 A V H <4 S+ 0 0 33 -3,-1.1 3,-0.5 2,-0.2 -1,-0.3 0.975 110.1 29.8 -56.7 -53.6 19.1 -17.8 2.9 12 25 A I H X< S+ 0 0 0 -3,-0.9 3,-1.5 -4,-0.6 27,-0.4 0.841 112.6 66.3 -79.4 -25.4 17.2 -17.6 -0.5 13 26 A Q H 3< S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.3 26,-0.2 0.831 103.7 47.3 -64.4 -24.8 20.3 -18.6 -2.3 14 27 A G T 3< S+ 0 0 65 -4,-1.7 2,-0.3 -3,-0.5 -1,-0.3 0.416 101.4 80.7 -92.1 2.2 19.9 -22.1 -0.5 15 28 A L S < S- 0 0 38 -3,-1.5 24,-0.8 -4,-0.2 2,-0.6 -0.775 76.3-126.5-109.2 152.2 16.1 -22.5 -1.3 16 29 A K E -b 39 0A 92 -2,-0.3 57,-2.7 22,-0.1 56,-1.5 -0.861 28.7-158.0 -95.6 126.8 14.4 -23.7 -4.4 17 30 A V E -bc 40 73A 0 22,-3.0 24,-2.0 -2,-0.6 2,-0.5 -0.881 9.6-162.0-109.8 136.1 11.8 -21.2 -5.5 18 31 A G E -bc 41 74A 0 55,-3.3 57,-2.0 -2,-0.4 2,-0.6 -0.968 6.8-158.2-115.5 115.2 8.9 -22.0 -7.7 19 32 A I E -bc 42 75A 0 22,-2.5 24,-2.7 -2,-0.5 2,-0.6 -0.805 6.5-154.9 -90.1 118.3 7.2 -19.0 -9.4 20 33 A I E +bc 43 76A 1 55,-3.0 57,-2.6 -2,-0.6 24,-0.2 -0.858 66.8 19.8 -96.4 115.8 3.6 -19.8 -10.4 21 34 A G - 0 0 7 22,-1.9 22,-0.2 -2,-0.6 57,-0.1 -0.172 61.8-140.4 106.9 154.8 2.7 -17.5 -13.4 22 35 A Y + 0 0 21 4,-0.1 -1,-0.1 -2,-0.1 56,-0.1 -0.268 61.2 111.9-144.9 47.2 4.9 -15.6 -15.8 23 36 A G S > S- 0 0 35 54,-0.6 4,-1.9 551,-0.0 5,-0.3 0.167 89.3 -42.2 -96.6-134.6 3.0 -12.3 -16.1 24 37 A S H > S+ 0 0 25 549,-0.2 4,-0.9 1,-0.2 551,-0.1 0.963 142.5 26.0 -66.9 -57.4 4.0 -8.8 -14.9 25 38 A Q H > S+ 0 0 40 2,-0.2 4,-3.4 1,-0.1 3,-0.3 0.933 116.7 63.1 -64.1 -45.0 5.4 -9.9 -11.4 26 39 A G H > S+ 0 0 0 51,-0.4 4,-3.2 1,-0.3 5,-0.3 0.887 104.4 44.8 -56.5 -49.7 6.3 -13.5 -12.4 27 40 A H H X S+ 0 0 31 -4,-1.9 4,-2.6 2,-0.2 -1,-0.3 0.886 115.9 46.8 -64.0 -36.3 8.9 -12.6 -15.0 28 41 A A H X S+ 0 0 0 -4,-0.9 4,-2.9 -3,-0.3 5,-0.4 0.960 116.9 43.1 -70.8 -46.7 10.5 -10.0 -12.8 29 42 A H H X S+ 0 0 0 -4,-3.4 4,-3.4 2,-0.2 5,-0.3 0.982 116.9 47.7 -59.0 -55.7 10.6 -12.2 -9.7 30 43 A A H X S+ 0 0 0 -4,-3.2 4,-2.8 -5,-0.3 -2,-0.2 0.927 118.3 39.6 -49.2 -52.2 11.7 -15.2 -11.8 31 44 A L H X S+ 0 0 20 -4,-2.6 4,-3.0 -5,-0.3 -1,-0.2 0.909 116.7 47.5 -73.1 -39.4 14.5 -13.3 -13.6 32 45 A N H X S+ 0 0 0 -4,-2.9 4,-1.6 -5,-0.3 -1,-0.2 0.938 113.4 50.7 -65.8 -46.7 15.7 -11.2 -10.7 33 46 A L H <>S+ 0 0 0 -4,-3.4 5,-1.9 -5,-0.4 3,-0.5 0.950 112.7 45.2 -55.7 -49.9 15.8 -14.4 -8.5 34 47 A M H ><5S+ 0 0 59 -4,-2.8 3,-1.6 -5,-0.3 -2,-0.2 0.928 111.6 51.9 -62.2 -45.9 17.8 -16.3 -11.1 35 48 A D H 3<5S+ 0 0 93 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.768 104.8 58.6 -55.2 -27.1 20.2 -13.4 -11.6 36 49 A S T 3<5S- 0 0 12 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.169 127.6 -98.3 -89.1 15.4 20.7 -13.3 -7.8 37 50 A G T < 5S+ 0 0 48 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.791 76.0 145.8 68.4 29.8 22.0 -17.0 -7.8 38 51 A V < - 0 0 9 -5,-1.9 2,-0.9 -4,-0.2 -1,-0.2 -0.793 54.7-121.3 -99.0 147.7 18.6 -18.5 -6.8 39 52 A D E +b 16 0A 44 -24,-0.8 -22,-3.0 -27,-0.4 2,-0.4 -0.719 47.8 175.8 -85.8 106.9 17.4 -22.0 -8.1 40 53 A V E -b 17 0A 1 -2,-0.9 20,-0.7 -24,-0.2 2,-0.4 -0.881 23.6-178.7-116.8 146.0 14.1 -21.0 -9.8 41 54 A R E -bd 18 60A 9 -24,-2.0 -22,-2.5 -2,-0.4 2,-0.4 -0.999 19.5-140.7-137.9 146.9 11.5 -22.8 -11.8 42 55 A V E -bd 19 61A 0 18,-2.2 20,-2.6 -2,-0.4 2,-0.6 -0.868 12.6-147.9-102.0 138.2 8.4 -21.2 -13.4 43 56 A G E +bd 20 62A 0 -24,-2.7 -22,-1.9 -2,-0.4 2,-0.3 -0.915 29.3 161.9-113.8 116.9 5.2 -23.3 -13.3 44 57 A L E - d 0 63A 3 18,-2.4 20,-0.5 -2,-0.6 2,-0.2 -0.897 36.7-100.9-131.3 162.0 2.9 -22.7 -16.2 45 58 A R > - 0 0 163 -2,-0.3 3,-1.3 18,-0.2 2,-0.2 -0.511 43.2 -97.4 -73.5 149.7 -0.0 -24.3 -18.0 46 59 A E T 3 S+ 0 0 193 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.475 112.6 29.1 -55.1 134.6 0.2 -26.3 -21.1 47 60 A G T 3 S+ 0 0 90 1,-0.3 2,-0.5 -2,-0.2 -1,-0.2 0.593 81.4 141.9 83.8 15.5 -0.7 -24.0 -24.1 48 61 A D X - 0 0 28 -3,-1.3 3,-1.9 1,-0.1 4,-0.4 -0.789 48.3-144.1 -91.9 123.8 0.6 -20.8 -22.4 49 62 A S T 3> S+ 0 0 102 -2,-0.5 4,-0.5 1,-0.3 3,-0.4 0.687 95.9 62.1 -63.0 -19.9 2.3 -18.6 -25.1 50 63 A D H 3> S+ 0 0 50 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.553 77.1 90.3 -85.6 -3.6 4.8 -17.4 -22.6 51 64 A W H <> S+ 0 0 65 -3,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.940 92.4 41.8 -54.8 -51.6 6.2 -20.8 -22.1 52 65 A K H > S+ 0 0 147 -3,-0.4 4,-2.9 -4,-0.4 -1,-0.2 0.875 114.5 52.3 -64.7 -36.3 8.7 -20.3 -24.9 53 66 A T H X S+ 0 0 64 -4,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.951 109.7 46.9 -63.1 -52.5 9.5 -16.7 -23.8 54 67 A A H <>S+ 0 0 0 -4,-3.0 5,-1.4 1,-0.2 3,-0.3 0.944 114.7 50.3 -55.0 -47.1 10.3 -17.7 -20.2 55 68 A E H ><5S+ 0 0 90 -4,-2.4 3,-1.8 -5,-0.3 -2,-0.2 0.886 107.4 50.5 -57.4 -46.7 12.4 -20.5 -21.7 56 69 A E H 3<5S+ 0 0 152 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.799 101.0 65.4 -62.0 -31.6 14.3 -18.2 -24.1 57 70 A A T 3<5S- 0 0 46 -4,-2.3 -1,-0.3 -3,-0.3 -2,-0.2 0.553 124.5-105.1 -62.9 -11.2 15.0 -16.0 -21.1 58 71 A G T < 5S+ 0 0 51 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.622 75.8 132.4 93.6 16.2 17.1 -18.9 -19.7 59 72 A L < - 0 0 9 -5,-1.4 2,-0.5 1,-0.0 -1,-0.3 -0.672 60.7-113.7-100.7 152.6 14.7 -20.3 -17.0 60 73 A K E -d 41 0A 113 -20,-0.7 -18,-2.2 -2,-0.2 2,-0.4 -0.707 37.2-170.1 -79.5 129.1 13.5 -23.8 -16.3 61 74 A V E +d 42 0A 17 -2,-0.5 2,-0.2 -20,-0.2 -18,-0.2 -0.983 16.1 151.5-121.8 141.5 9.9 -24.0 -17.0 62 75 A T E -d 43 0A 28 -20,-2.6 -18,-2.4 -2,-0.4 2,-0.0 -0.819 50.5 -65.4-151.1-177.6 7.6 -26.9 -16.1 63 76 A D E > -d 44 0A 62 -20,-0.3 4,-2.5 -2,-0.2 5,-0.2 -0.251 50.3-107.0 -73.3 169.5 3.9 -27.4 -15.2 64 77 A M H > S+ 0 0 13 -20,-0.5 4,-3.2 1,-0.2 5,-0.2 0.939 116.4 53.5 -67.9 -44.7 2.4 -25.9 -12.1 65 78 A D H > S+ 0 0 47 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.902 112.0 45.5 -54.2 -44.5 2.1 -29.1 -10.1 66 79 A T H > S+ 0 0 45 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.899 112.3 50.4 -67.1 -45.7 5.8 -30.0 -10.7 67 80 A A H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.953 112.3 47.7 -60.1 -47.3 7.0 -26.5 -9.8 68 81 A A H < S+ 0 0 0 -4,-3.2 -1,-0.2 22,-0.3 -2,-0.2 0.905 114.1 47.3 -53.4 -43.4 4.9 -26.6 -6.7 69 82 A E H < S+ 0 0 89 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.899 114.1 46.2 -71.1 -41.5 6.3 -30.1 -5.8 70 83 A E H < S+ 0 0 93 -4,-2.9 2,-0.3 -5,-0.1 -1,-0.2 0.676 97.7 97.1 -72.0 -21.2 9.9 -29.2 -6.5 71 84 A A < - 0 0 2 -4,-1.3 -54,-0.2 -5,-0.2 3,-0.2 -0.580 48.3-171.9 -90.2 136.7 9.8 -25.9 -4.6 72 85 A D S S+ 0 0 57 -56,-1.5 28,-2.8 -2,-0.3 2,-0.5 0.826 95.8 33.2 -70.7 -45.4 10.9 -25.0 -1.0 73 86 A V E S-ce 17 100A 0 -57,-2.7 -55,-3.3 26,-0.2 2,-0.6 -0.971 73.8-165.8-120.0 121.7 9.2 -21.6 -1.7 74 87 A I E -ce 18 101A 0 26,-2.7 28,-3.1 -2,-0.5 2,-0.5 -0.912 4.8-164.9-111.5 109.0 6.2 -21.3 -3.9 75 88 A M E -ce 19 102A 0 -57,-2.0 -55,-3.0 -2,-0.6 2,-0.7 -0.805 13.0-144.0 -97.8 114.5 5.4 -17.7 -5.0 76 89 A V E +c 20 0A 3 26,-2.7 28,-0.4 -2,-0.5 -55,-0.1 -0.783 29.2 164.8 -86.7 112.3 1.9 -17.2 -6.5 77 90 A L + 0 0 18 -57,-2.6 -54,-0.6 -2,-0.7 -51,-0.4 -0.394 37.2 105.9-126.0 52.9 2.1 -14.6 -9.3 78 91 A V S S- 0 0 27 -57,-0.1 5,-0.1 -56,-0.1 -58,-0.0 -0.810 87.5 -60.8-122.1 164.3 -1.2 -15.2 -11.2 79 92 A P >> - 0 0 54 0, 0.0 3,-2.3 0, 0.0 4,-1.0 -0.197 47.6-123.2 -53.9 133.7 -4.2 -12.8 -11.0 80 93 A D G >4 S+ 0 0 10 1,-0.3 3,-0.9 2,-0.2 -2,-0.0 0.837 109.7 58.7 -44.9 -34.6 -5.5 -12.4 -7.5 81 94 A E G 34 S+ 0 0 31 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.758 108.8 43.4 -76.5 -15.3 -9.0 -13.5 -8.6 82 95 A V G <> S+ 0 0 60 -3,-2.3 4,-2.6 1,-0.2 5,-0.3 0.445 88.6 92.3-110.0 -7.1 -7.7 -17.0 -9.9 83 96 A Q H S+ 0 0 34 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.956 114.8 40.9 -67.3 -45.1 -8.0 -19.7 -4.9 85 98 A K H > S+ 0 0 136 -4,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.934 118.7 46.9 -60.9 -50.1 -8.9 -22.1 -7.7 86 99 A V H X S+ 0 0 23 -4,-2.6 4,-1.9 2,-0.2 5,-0.3 0.854 110.1 53.0 -60.1 -43.1 -5.2 -22.4 -8.8 87 100 A Y H X>S+ 0 0 10 -4,-2.6 5,-3.1 -5,-0.3 4,-2.1 0.972 113.7 42.3 -52.4 -58.8 -4.0 -22.9 -5.2 88 101 A Q H <5S+ 0 0 135 -4,-1.9 5,-0.2 1,-0.2 -2,-0.2 0.727 121.2 41.0 -58.2 -36.4 -6.5 -25.8 -4.6 89 102 A E H <5S+ 0 0 103 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.715 134.5 9.2 -92.4 -21.5 -6.0 -27.5 -8.0 90 103 A H H <5S+ 0 0 52 -4,-1.9 -22,-0.3 -3,-0.2 -3,-0.2 0.342 129.5 34.8-140.9 -1.4 -2.2 -27.2 -8.4 91 104 A I T ><5S+ 0 0 2 -4,-2.1 3,-2.1 -5,-0.3 4,-0.3 0.699 98.2 64.5-123.0 -54.7 -0.5 -26.0 -5.3 92 105 A A G > - 0 0 93 -2,-0.6 3,-2.0 1,-0.1 -2,-0.1 -0.776 41.4 -82.3-100.3 154.2 4.9 -30.3 2.6 97 110 A A T 3 S+ 0 0 72 -2,-0.3 23,-0.2 1,-0.2 -1,-0.1 -0.270 120.9 30.0 -50.0 131.5 5.5 -29.3 6.3 98 111 A G T 3 S+ 0 0 44 21,-2.0 -1,-0.2 1,-0.3 2,-0.2 0.429 91.2 125.7 94.0 -8.2 8.3 -26.7 6.3 99 112 A N < - 0 0 17 -3,-2.0 22,-1.8 20,-0.2 2,-0.5 -0.503 57.4-129.0 -75.2 159.3 7.5 -25.3 2.8 100 113 A T E -ef 73 121A 2 -28,-2.8 -26,-2.7 20,-0.2 2,-0.5 -0.961 10.7-158.5-117.1 119.8 6.8 -21.5 2.3 101 114 A L E -ef 74 122A 0 20,-2.6 22,-1.9 -2,-0.5 2,-0.3 -0.935 26.1-170.5 -93.2 117.1 3.6 -20.3 0.5 102 115 A A E -ef 75 123A 0 -28,-3.1 -26,-2.7 -2,-0.5 2,-0.3 -0.807 14.3-176.2-122.5 150.7 4.4 -16.7 -0.7 103 116 A F E - f 0 124A 1 20,-1.4 22,-2.3 -2,-0.3 3,-0.1 -0.815 27.8-145.8-135.5 167.0 2.5 -13.9 -2.3 104 117 A A S S+ 0 0 18 -28,-0.4 2,-0.3 1,-0.3 43,-0.1 0.225 93.4 34.4-113.1 7.0 3.2 -10.4 -3.7 105 118 A H S S- 0 0 15 21,-0.1 3,-0.4 -25,-0.0 -1,-0.3 -0.955 72.3-140.4-156.7 134.9 -0.2 -8.9 -2.5 106 119 A G > + 0 0 0 -2,-0.3 4,-3.0 75,-0.2 5,-0.3 0.491 69.9 111.3 -82.9 3.8 -1.9 -9.9 0.7 107 120 A F H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 6,-0.4 0.821 77.7 40.4 -43.4 -60.6 -5.4 -9.8 -0.9 108 121 A N H >>S+ 0 0 2 -3,-0.4 5,-1.8 2,-0.2 6,-1.4 0.939 122.4 39.4 -57.2 -48.3 -6.3 -13.5 -0.8 109 122 A I H 45S+ 0 0 15 -4,-0.3 3,-0.4 3,-0.2 -2,-0.2 0.910 116.9 49.6 -72.1 -42.5 -4.9 -14.3 2.6 110 123 A H H <5S+ 0 0 52 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.918 115.5 41.0 -67.7 -44.6 -6.1 -11.1 4.2 111 124 A Y H <5S- 0 0 47 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.496 115.7-113.5 -84.9 -2.7 -9.7 -11.3 3.0 112 125 A G T <5S+ 0 0 43 -4,-0.6 -3,-0.2 -3,-0.4 -4,-0.1 0.608 77.7 129.8 85.6 17.5 -9.8 -15.1 3.7 113 126 A Y S - 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0 0 0 -4,-1.2 4,-2.3 -5,-0.6 3,-0.5 -0.004 40.9 -69.7 99.1 154.0 11.6 16.1 -4.3 241 254 A I H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.859 129.7 60.5 -44.9 -33.3 8.6 18.5 -4.9 242 255 A H H > S+ 0 0 86 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.821 107.4 43.2 -74.9 -30.0 11.0 21.3 -3.7 243 256 A F H > S+ 0 0 50 -4,-0.5 4,-2.2 -3,-0.5 -1,-0.2 0.929 114.9 48.3 -75.1 -43.7 13.4 20.6 -6.6 244 257 A M H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.917 111.9 49.9 -62.6 -45.8 10.7 20.2 -9.2 245 258 A N H < S+ 0 0 2 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.813 109.7 51.8 -63.8 -28.4 8.9 23.4 -8.1 246 259 A Y H < S+ 0 0 151 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.892 108.4 52.6 -72.1 -37.8 12.3 25.2 -8.3 247 260 A S H < S+ 0 0 4 -4,-2.2 211,-0.4 104,-0.1 -2,-0.2 0.900 100.3 71.1 -64.4 -46.9 12.8 23.9 -11.9 248 261 A I S < S- 0 0 21 -4,-2.3 2,-0.2 1,-0.1 103,-0.1 -0.063 98.9 -88.8 -67.7 170.1 9.4 25.1 -13.1 249 262 A S > - 0 0 42 1,-0.1 4,-3.8 102,-0.0 5,-0.2 -0.498 29.2-117.4 -75.8 157.4 8.7 28.7 -13.7 250 263 A N H > S+ 0 0 36 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.855 119.7 59.5 -63.2 -28.3 7.3 30.9 -10.8 251 264 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 110.3 39.8 -60.8 -51.2 4.3 31.3 -13.2 252 265 A A H > S+ 0 0 4 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.917 114.8 52.4 -64.1 -44.3 3.8 27.5 -13.1 253 266 A E H X S+ 0 0 2 -4,-3.8 4,-1.5 1,-0.2 -2,-0.2 0.893 112.1 45.6 -59.5 -46.4 4.6 27.2 -9.4 254 267 A Y H X S+ 0 0 13 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.908 112.1 52.6 -58.6 -47.4 2.0 30.0 -8.6 255 268 A G H X S+ 0 0 0 -4,-2.0 4,-3.4 -5,-0.3 5,-0.4 0.902 106.1 54.6 -60.5 -37.8 -0.5 28.2 -10.9 256 269 A E H X S+ 0 0 7 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.914 110.1 44.1 -56.8 -49.3 0.1 24.9 -9.0 257 270 A Y H < S+ 0 0 25 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.828 120.4 42.8 -69.7 -31.3 -0.7 26.3 -5.6 258 271 A Y H < S+ 0 0 28 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.870 124.9 30.9 -83.4 -44.7 -3.7 28.1 -7.0 259 272 A A H >X S+ 0 0 0 -4,-3.4 4,-1.9 -5,-0.2 3,-1.4 0.797 101.1 77.4 -90.7 -32.6 -5.1 25.3 -9.3 260 273 A G H 3X S+ 0 0 0 -4,-2.8 4,-3.2 -5,-0.4 -3,-0.1 0.905 98.5 43.8 -42.5 -54.9 -4.0 22.1 -7.4 261 274 A P H 34 S+ 0 0 60 0, 0.0 5,-0.3 0, 0.0 -1,-0.3 0.609 111.2 54.6 -75.1 -9.4 -6.9 22.4 -4.7 262 275 A K H <4 S+ 0 0 73 -3,-1.4 3,-0.3 -4,-0.2 336,-0.2 0.877 117.7 35.1 -82.7 -36.9 -9.5 23.2 -7.3 263 276 A V H < S+ 0 0 0 -4,-1.9 2,-1.1 1,-0.3 329,-0.3 0.957 126.9 37.5 -80.4 -51.9 -8.7 20.1 -9.3 264 277 A I S < S+ 0 0 1 -4,-3.2 -1,-0.3 -5,-0.2 327,-0.1 -0.816 100.4 172.4 -96.3 82.7 -7.9 17.7 -6.4 265 278 A N > - 0 0 13 -2,-1.1 4,-2.3 325,-0.3 3,-0.3 -0.221 50.3 -85.0 -97.8-176.0 -10.6 19.3 -4.3 266 279 A E H > S+ 0 0 164 -5,-0.3 4,-2.0 1,-0.3 5,-0.1 0.883 129.4 52.8 -62.0 -28.0 -12.3 18.7 -0.9 267 280 A Q H > S+ 0 0 120 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.886 105.5 53.9 -70.6 -31.8 -14.6 16.2 -2.6 268 281 A S H > S+ 0 0 0 -3,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.859 108.6 49.8 -70.1 -36.8 -11.6 14.3 -4.0 269 282 A R H X S+ 0 0 47 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.890 110.1 49.2 -62.7 -40.3 -10.2 14.1 -0.5 270 283 A E H X S+ 0 0 110 -4,-2.0 4,-2.3 1,-0.2 3,-0.3 0.948 109.9 53.6 -66.5 -41.9 -13.6 12.7 0.7 271 284 A A H X S+ 0 0 16 -4,-2.7 4,-2.6 1,-0.3 -1,-0.2 0.883 105.5 53.3 -54.0 -43.7 -13.5 10.2 -2.2 272 285 A M H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.3 0.900 109.4 47.8 -62.0 -34.0 -10.1 9.1 -1.1 273 286 A K H X S+ 0 0 95 -4,-1.6 4,-2.6 -3,-0.3 -2,-0.2 0.916 112.9 47.9 -71.0 -43.7 -11.4 8.4 2.4 274 287 A E H X S+ 0 0 92 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.848 109.3 53.6 -61.7 -42.0 -14.4 6.5 1.1 275 288 A I H X S+ 0 0 1 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.939 111.9 45.1 -55.3 -51.6 -12.1 4.5 -1.2 276 289 A L H X S+ 0 0 6 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.917 110.1 55.2 -64.9 -40.8 -10.0 3.6 1.9 277 290 A K H X S+ 0 0 119 -4,-2.6 4,-2.5 1,-0.2 6,-0.2 0.945 109.2 47.5 -52.4 -49.9 -13.2 2.8 3.9 278 291 A R H < S+ 0 0 59 -4,-2.6 6,-2.3 1,-0.2 7,-0.5 0.772 112.2 49.9 -72.1 -24.3 -14.4 0.3 1.2 279 292 A I H >< S+ 0 0 0 -4,-1.6 3,-1.5 -5,-0.2 -1,-0.2 0.952 112.2 48.1 -68.3 -51.5 -10.9 -1.2 1.1 280 293 A Q H 3< S+ 0 0 85 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.849 112.2 45.6 -60.7 -41.2 -10.9 -1.6 4.9 281 294 A D T 3< S- 0 0 105 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.1 0.255 110.1-115.8 -90.6 6.5 -14.3 -3.2 5.3 282 295 A G S <> S+ 0 0 19 -3,-1.5 4,-1.8 -5,-0.2 -3,-0.1 0.361 82.7 114.4 81.0 1.0 -13.9 -5.7 2.5 283 296 A S H > S+ 0 0 26 -5,-0.4 4,-2.0 -6,-0.2 -4,-0.2 0.828 75.1 52.2 -81.9 -27.2 -16.7 -4.4 0.2 284 297 A F H > S+ 0 0 0 -6,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.935 109.7 50.9 -65.6 -47.9 -14.4 -3.3 -2.6 285 298 A A H > S+ 0 0 0 -7,-0.5 4,-2.5 1,-0.2 5,-0.2 0.918 110.1 49.5 -55.1 -41.7 -12.8 -6.7 -2.6 286 299 A Q H X S+ 0 0 108 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.886 110.1 51.2 -65.6 -36.8 -16.2 -8.3 -2.8 287 300 A E H X S+ 0 0 49 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.901 112.2 45.9 -63.5 -44.9 -17.1 -6.0 -5.8 288 301 A F H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.945 113.2 48.6 -63.9 -55.5 -14.0 -6.9 -7.7 289 302 A V H X S+ 0 0 23 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.895 111.4 52.3 -52.8 -43.1 -14.4 -10.6 -7.1 290 303 A D H X S+ 0 0 92 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.950 109.0 47.9 -59.5 -49.0 -18.0 -10.3 -8.2 291 304 A D H <>S+ 0 0 14 -4,-2.5 6,-1.1 1,-0.2 5,-1.0 0.918 111.2 51.8 -58.3 -45.0 -17.1 -8.6 -11.4 292 305 A C H ><5S+ 0 0 18 -4,-2.9 3,-1.2 1,-0.2 -1,-0.2 0.842 108.2 50.5 -53.1 -46.7 -14.4 -11.4 -12.0 293 306 A N H 3<5S+ 0 0 130 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.648 105.1 59.9 -65.9 -16.9 -17.1 -14.1 -11.4 294 307 A N T 3<5S- 0 0 100 -4,-1.2 3,-0.4 -3,-0.5 -1,-0.3 0.073 132.3 -94.0 -98.0 22.6 -19.2 -12.1 -14.0 295 308 A G T < 5 - 0 0 50 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.2 0.819 68.4 -68.4 72.3 40.0 -16.4 -12.7 -16.6 296 309 A H S > + 0 0 117 -6,-1.1 4,-1.8 -3,-0.4 5,-0.1 0.896 68.4 35.5 -61.0 -47.0 -17.6 -7.6 -17.4 298 311 A R H > S+ 0 0 131 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.903 117.2 55.5 -70.3 -39.8 -17.2 -4.1 -16.0 299 312 A L H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.832 109.2 47.3 -56.0 -41.1 -13.4 -4.4 -16.3 300 313 A L H X S+ 0 0 78 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.889 109.9 51.1 -73.3 -46.9 -13.6 -5.2 -20.0 301 314 A E H X S+ 0 0 92 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.899 113.8 45.0 -52.3 -45.1 -16.1 -2.4 -20.9 302 315 A Q H X S+ 0 0 52 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.835 110.2 55.1 -76.3 -31.7 -13.9 0.2 -19.2 303 316 A R H X S+ 0 0 73 -4,-1.5 4,-3.0 -5,-0.2 5,-0.2 0.930 107.5 49.2 -60.5 -46.0 -10.8 -1.2 -20.8 304 317 A E H X S+ 0 0 114 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.909 108.3 54.1 -65.7 -41.0 -12.4 -0.8 -24.3 305 318 A A H X S+ 0 0 53 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.906 114.3 41.1 -56.8 -46.5 -13.4 2.9 -23.5 306 319 A I H >< S+ 0 0 5 -4,-2.0 3,-1.0 2,-0.2 6,-0.3 0.938 113.0 53.0 -66.9 -45.0 -9.8 3.8 -22.5 307 320 A N H 3< S+ 0 0 51 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.882 113.9 43.1 -62.0 -33.9 -8.2 1.8 -25.4 308 321 A T H 3< S+ 0 0 85 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.527 88.3 120.5 -91.4 2.5 -10.4 3.6 -28.0 309 322 A H S XX S- 0 0 24 -3,-1.0 3,-1.9 -4,-0.5 4,-1.9 -0.337 74.4-121.4 -63.9 139.0 -10.0 7.1 -26.4 310 323 A P H 3> S+ 0 0 69 0, 0.0 4,-2.9 0, 0.0 5,-0.5 0.800 113.0 63.6 -48.9 -31.0 -8.5 9.8 -28.6 311 324 A I H 3> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.880 108.2 43.0 -65.3 -30.6 -5.7 10.2 -26.0 312 325 A E H <> S+ 0 0 6 -3,-1.9 4,-2.1 -6,-0.3 -1,-0.2 0.909 116.8 42.6 -82.7 -42.0 -4.7 6.6 -26.8 313 326 A T H X S+ 0 0 70 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.937 118.2 46.1 -68.1 -41.6 -4.9 6.7 -30.6 314 327 A T H X S+ 0 0 11 -4,-2.9 4,-2.3 -5,-0.2 5,-0.2 0.959 114.1 49.7 -65.6 -45.1 -3.3 10.1 -30.8 315 328 A G H X S+ 0 0 0 -4,-1.4 4,-2.4 -5,-0.5 5,-0.2 0.879 106.1 55.4 -59.4 -40.7 -0.6 8.9 -28.4 316 329 A A H X S+ 0 0 49 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.951 110.1 47.3 -59.6 -45.0 0.1 5.7 -30.3 317 330 A Q H X S+ 0 0 123 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.939 113.1 47.1 -55.2 -53.6 0.8 7.8 -33.5 318 331 A I H >< S+ 0 0 4 -4,-2.3 3,-1.5 1,-0.2 4,-0.4 0.932 112.4 47.9 -60.7 -49.5 3.1 10.3 -31.8 319 332 A R H >< S+ 0 0 30 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.808 100.2 67.4 -64.7 -27.4 5.2 7.7 -30.0 320 333 A S H 3< S+ 0 0 89 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.727 99.6 53.3 -66.4 -15.7 5.6 5.7 -33.3 321 334 A M T << 0 0 93 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.515 360.0 360.0 -94.4 -12.8 7.7 8.6 -34.6 322 335 A F < 0 0 105 -3,-1.2 179,-0.1 -4,-0.4 178,-0.1 -0.517 360.0 360.0 -64.7 360.0 10.2 8.8 -31.8 323 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 324 10 B M 0 0 194 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -98.0 -3.5 18.3 -41.5 325 11 B A + 0 0 87 -108,-0.0 -106,-0.1 -106,-0.0 2,-0.0 0.869 360.0 28.5 81.9 66.6 -4.1 20.2 -38.2 326 12 B V - 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0 0 18 -5,-1.9 -1,-0.3 1,-0.1 -2,-0.1 -0.695 65.3 -93.6 -87.4 146.5 -0.2 4.2 7.9 544 230 B P >> - 0 0 47 0, 0.0 4,-2.4 0, 0.0 3,-0.7 -0.327 25.8-124.8 -62.9 141.2 3.4 5.1 8.4 545 231 B P H 3> S+ 0 0 49 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.799 110.1 60.5 -51.2 -28.3 4.5 8.1 6.4 546 232 B E H 3> S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.936 108.2 41.8 -67.7 -40.4 7.3 5.9 4.9 547 233 B L H <> S+ 0 0 0 -3,-0.7 4,-2.8 2,-0.2 5,-0.2 0.930 111.6 54.9 -70.9 -41.8 4.9 3.5 3.5 548 234 B A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.4 0.889 108.9 51.4 -59.8 -37.2 2.6 6.4 2.2 549 235 B Y H X>S+ 0 0 0 -4,-2.3 5,-2.9 -5,-0.3 4,-1.6 0.937 110.9 44.8 -64.3 -48.2 5.7 7.8 0.4 550 236 B F H <>S+ 0 0 2 -4,-1.9 5,-1.5 3,-0.2 -2,-0.2 0.925 121.2 41.9 -59.3 -40.4 6.6 4.5 -1.4 551 237 B E H <5S+ 0 0 0 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.951 126.0 25.4 -75.1 -52.2 3.0 3.9 -2.3 552 238 B C H <5S+ 0 0 0 -4,-2.7 -3,-0.2 -5,-0.2 -1,-0.2 0.674 134.5 19.1 -90.3 -17.6 1.7 7.4 -3.4 553 239 B Y T >X5S+ 0 0 5 -4,-1.6 3,-1.1 -5,-0.4 4,-0.6 0.786 119.7 45.7-123.3 -62.9 4.9 9.2 -4.5 554 240 B H T >4> S+ 0 0 3 -3,-1.1 4,-2.5 1,-0.3 -1,-0.2 0.875 86.1 57.9 -62.4 -39.2 4.3 7.3 -9.5 557 243 B K H S+ 0 0 0 -3,-1.1 4,-1.6 -4,-0.5 -1,-0.2 0.898 110.6 43.9 -73.1 -46.3 7.1 3.8 -12.6 559 245 B I H X S+ 0 0 2 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.937 115.1 49.0 -65.1 -48.3 3.6 4.0 -13.7 560 246 B V H X S+ 0 0 3 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.909 105.8 57.5 -61.4 -44.9 4.2 7.2 -15.7 561 247 B D H X S+ 0 0 10 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.927 106.3 50.0 -50.4 -46.7 7.3 5.8 -17.4 562 248 B L H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.889 113.6 45.5 -60.7 -37.4 5.1 2.8 -18.7 563 249 B M H X S+ 0 0 6 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.910 112.8 50.0 -67.8 -45.1 2.5 5.3 -20.1 564 250 B Y H < S+ 0 0 30 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.869 118.9 37.8 -63.0 -44.0 5.1 7.6 -21.6 565 251 B E H < S+ 0 0 72 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.843 138.7 2.8 -71.8 -38.7 6.9 4.6 -23.4 566 252 B S H < S- 0 0 41 -4,-2.1 4,-0.4 -5,-0.3 -3,-0.2 0.314 100.7 -97.0-146.2 5.8 3.9 2.5 -24.4 567 253 B G X - 0 0 0 -4,-2.1 4,-1.9 2,-0.1 3,-0.4 0.125 41.4 -78.0 87.1 161.4 0.5 4.0 -23.6 568 254 B I H > S+ 0 0 0 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.910 125.5 63.3 -62.6 -42.4 -2.1 3.6 -20.9 569 255 B H H > S+ 0 0 87 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.833 107.5 42.7 -52.3 -37.9 -3.2 0.2 -22.5 570 256 B F H > S+ 0 0 54 -3,-0.4 4,-2.8 -4,-0.4 -1,-0.3 0.893 112.4 51.3 -77.4 -40.1 0.2 -1.2 -21.8 571 257 B M H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.937 112.7 48.2 -60.0 -45.3 0.5 0.2 -18.3 572 258 B N H < S+ 0 0 1 -4,-3.6 -2,-0.2 1,-0.2 -1,-0.2 0.900 109.9 52.2 -65.9 -29.1 -3.0 -1.3 -17.7 573 259 B Y H < S+ 0 0 152 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.930 109.1 49.5 -66.9 -45.3 -1.7 -4.5 -19.1 574 260 B S H < S+ 0 0 3 -4,-2.8 -443,-0.5 -550,-0.1 -2,-0.2 0.804 101.6 73.5 -62.6 -34.6 1.4 -4.4 -16.8 575 261 B I S < S- 0 0 18 -4,-2.1 -551,-0.1 -5,-0.1 0, 0.0 -0.396 95.8 -93.3 -81.8 164.5 -0.7 -3.8 -13.6 576 262 B S > - 0 0 46 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.248 30.7-113.2 -76.2 158.6 -2.9 -6.6 -12.0 577 263 B N H > S+ 0 0 36 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.789 120.1 61.3 -54.7 -34.9 -6.6 -6.9 -12.9 578 264 B T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.961 109.6 38.7 -53.1 -59.4 -7.1 -5.9 -9.2 579 265 B A H > S+ 0 0 4 2,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.909 115.7 52.2 -60.6 -44.5 -5.4 -2.5 -9.9 580 266 B E H X S+ 0 0 2 -4,-2.6 4,-1.9 1,-0.2 5,-0.2 0.941 110.8 46.9 -64.5 -43.2 -6.9 -2.1 -13.4 581 267 B Y H X S+ 0 0 16 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.936 113.5 50.2 -57.1 -45.7 -10.5 -2.7 -12.0 582 268 B G H X S+ 0 0 0 -4,-1.9 4,-3.1 -5,-0.2 5,-0.3 0.894 105.7 57.2 -61.9 -45.9 -9.7 -0.2 -9.2 583 269 B E H X S+ 0 0 7 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.920 111.1 41.8 -43.2 -56.8 -8.4 2.4 -11.7 584 270 B Y H < S+ 0 0 18 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.837 119.5 44.6 -65.1 -36.1 -11.7 2.4 -13.6 585 271 B Y H < S+ 0 0 20 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.866 121.8 34.8 -72.2 -47.9 -13.7 2.4 -10.4 586 272 B A H >X S+ 0 0 0 -4,-3.1 4,-2.0 -5,-0.2 3,-1.3 0.791 100.6 75.9 -85.0 -36.0 -11.7 5.1 -8.4 587 273 B G H 3X S+ 0 0 1 -4,-2.3 4,-2.7 -5,-0.3 3,-0.3 0.912 96.5 46.1 -36.9 -61.3 -10.7 7.5 -11.3 588 274 B P H 34 S+ 0 0 66 0, 0.0 -1,-0.3 0, 0.0 5,-0.2 0.649 113.5 55.0 -66.3 -12.8 -14.0 9.2 -11.8 589 275 B K H <4 S+ 0 0 83 -3,-1.3 3,-0.3 3,-0.1 -2,-0.2 0.858 115.7 31.5 -85.5 -42.7 -14.2 9.6 -8.0 590 276 B V H < S+ 0 0 0 -4,-2.0 2,-1.2 -3,-0.3 -325,-0.3 0.911 126.0 43.7 -85.3 -42.2 -11.0 11.3 -7.3 591 277 B I S < S+ 0 0 1 -4,-2.7 -1,-0.3 -5,-0.3 -327,-0.1 -0.771 98.0 169.1-100.9 84.3 -11.0 13.3 -10.5 592 278 B N > - 0 0 19 -2,-1.2 4,-2.0 -329,-0.3 5,-0.1 -0.075 52.7 -83.0 -99.3-173.0 -14.6 14.1 -10.3 593 279 B E H > S+ 0 0 146 -5,-0.2 4,-2.7 1,-0.2 5,-0.2 0.927 130.5 50.7 -61.3 -38.9 -17.3 16.4 -11.9 594 280 B Q H > S+ 0 0 86 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.856 107.9 53.4 -59.7 -37.4 -16.1 19.3 -9.7 595 281 B S H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.925 111.7 46.8 -60.8 -37.3 -12.5 18.5 -10.8 596 282 B R H X S+ 0 0 63 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.892 112.7 45.9 -78.1 -44.1 -13.8 18.8 -14.4 597 283 B E H X S+ 0 0 101 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.913 110.2 57.4 -55.2 -45.6 -15.7 22.1 -13.9 598 284 B A H X S+ 0 0 1 -4,-2.4 4,-3.0 -5,-0.2 -2,-0.2 0.941 104.6 51.4 -55.2 -40.6 -12.6 23.4 -12.1 599 285 B M H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.3 -1,-0.2 0.915 109.7 48.6 -70.8 -38.4 -10.5 22.7 -15.2 600 286 B K H X S+ 0 0 103 -4,-1.7 4,-2.1 2,-0.2 -1,-0.3 0.870 112.9 46.7 -68.2 -33.2 -12.9 24.6 -17.4 601 287 B E H X S+ 0 0 94 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.923 111.1 53.3 -70.7 -42.1 -13.0 27.6 -15.1 602 288 B I H X S+ 0 0 0 -4,-3.0 4,-1.3 -5,-0.3 -2,-0.2 0.920 110.0 47.9 -53.0 -49.0 -9.2 27.4 -14.9 603 289 B L H X S+ 0 0 7 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.914 109.7 53.0 -62.3 -43.6 -9.1 27.5 -18.7 604 290 B K H X S+ 0 0 82 -4,-2.1 4,-2.2 1,-0.2 6,-0.3 0.917 107.7 50.0 -55.2 -45.2 -11.5 30.5 -18.8 605 291 B R H < S+ 0 0 73 -4,-2.5 6,-2.8 1,-0.2 5,-0.5 0.790 112.4 49.5 -70.2 -22.2 -9.4 32.5 -16.3 606 292 B I H >< S+ 0 0 0 -4,-1.3 3,-1.0 -5,-0.2 -2,-0.2 0.925 112.1 46.2 -76.4 -45.4 -6.4 31.8 -18.6 607 293 B Q H 3< S+ 0 0 71 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.1 0.803 113.7 48.1 -67.5 -36.0 -8.1 32.8 -21.8 608 294 B D T 3< S- 0 0 77 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.406 110.5-117.0 -91.3 9.2 -9.5 36.0 -20.4 609 295 B G S <> S+ 0 0 19 -3,-1.0 4,-2.0 -5,-0.1 5,-0.2 0.496 83.0 116.5 72.7 -3.7 -6.3 37.2 -18.8 610 296 B S H > S+ 0 0 45 -5,-0.5 4,-2.6 -6,-0.3 5,-0.2 0.936 75.6 51.5 -64.5 -38.3 -7.6 37.1 -15.3 611 297 B F H > S+ 0 0 1 -6,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.954 109.7 51.6 -63.3 -47.2 -5.1 34.4 -14.2 612 298 B A H > S+ 0 0 0 -7,-0.4 4,-2.6 1,-0.2 5,-0.2 0.906 109.9 48.4 -51.7 -53.8 -2.2 36.6 -15.7 613 299 B Q H X S+ 0 0 96 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.894 110.9 51.0 -56.2 -42.2 -3.3 39.7 -13.8 614 300 B E H X S+ 0 0 78 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.892 111.9 47.2 -58.7 -44.0 -3.6 37.7 -10.5 615 301 B F H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.937 113.9 46.3 -67.5 -48.5 -0.0 36.2 -10.9 616 302 B V H X S+ 0 0 18 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.915 112.0 52.3 -57.3 -43.9 1.5 39.6 -11.8 617 303 B D H X S+ 0 0 90 -4,-2.7 4,-0.7 -5,-0.2 -2,-0.2 0.904 109.1 49.7 -57.8 -40.8 -0.3 41.2 -8.8 618 304 B D H ><>S+ 0 0 3 -4,-2.0 5,-1.7 1,-0.2 3,-0.9 0.922 111.4 48.3 -68.7 -40.4 1.0 38.5 -6.5 619 305 B C H ><5S+ 0 0 17 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.853 111.6 50.1 -68.7 -31.7 4.6 39.1 -7.8 620 306 B N H 3<5S+ 0 0 128 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.622 107.1 59.4 -76.8 -11.5 4.1 42.9 -7.3 621 307 B N T X<5S- 0 0 72 -3,-0.9 3,-0.8 -4,-0.7 -1,-0.2 -0.309 134.2 -77.5-115.0 43.7 2.9 42.2 -3.8 622 308 B G T < 5 - 0 0 59 -3,-0.6 -3,-0.2 1,-0.2 -2,-0.1 0.668 70.0 -81.9 73.9 17.8 6.0 40.4 -2.4 623 309 B H T 3> + 0 0 100 -6,-0.9 4,-1.4 -3,-0.8 5,-0.2 0.876 65.7 32.0 -60.6 -47.3 3.0 36.8 -1.1 625 311 B R H > S+ 0 0 118 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.941 118.1 56.0 -75.4 -51.5 0.9 33.7 -2.0 626 312 B L H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.931 112.7 40.1 -43.7 -46.1 3.8 32.1 -3.9 627 313 B L H X S+ 0 0 81 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.838 110.9 54.9 -86.0 -29.0 6.2 32.1 -1.0 628 314 B E H X S+ 0 0 131 -4,-1.4 4,-1.4 -5,-0.3 -1,-0.2 0.920 116.1 40.5 -68.5 -41.3 3.7 31.2 1.8 629 315 B Q H X S+ 0 0 76 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.813 111.6 56.0 -72.2 -33.3 2.7 28.1 -0.2 630 316 B R H X S+ 0 0 72 -4,-1.9 4,-3.2 -5,-0.4 5,-0.3 0.986 108.7 47.1 -61.7 -53.7 6.3 27.3 -1.2 631 317 B E H X S+ 0 0 124 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.858 113.4 50.8 -48.3 -46.0 7.4 27.3 2.5 632 318 B A H < S+ 0 0 51 -4,-1.4 -1,-0.2 2,-0.2 3,-0.2 0.894 114.3 38.4 -69.7 -47.9 4.5 25.1 3.4 633 319 B I H >< S+ 0 0 9 -4,-2.4 3,-1.2 1,-0.2 6,-0.3 0.893 113.6 57.5 -73.7 -36.3 4.9 22.3 0.8 634 320 B N H 3< S+ 0 0 54 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.727 114.3 37.2 -64.8 -23.5 8.7 22.4 1.0 635 321 B T T 3< S+ 0 0 75 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.287 90.7 123.8-107.5 9.6 8.6 21.6 4.7 636 322 B H S X> S- 0 0 30 -3,-1.2 4,-1.9 -4,-0.1 3,-1.2 -0.329 77.3-110.2 -64.5 149.6 5.6 19.2 4.5 637 323 B P H 3> S+ 0 0 69 0, 0.0 4,-3.0 0, 0.0 5,-0.5 0.872 118.1 62.6 -53.4 -34.1 6.1 15.7 5.9 638 324 B I H 3> S+ 0 0 0 1,-0.2 4,-1.6 3,-0.2 5,-0.1 0.869 110.0 42.4 -54.6 -37.6 6.0 14.2 2.3 639 325 B E H <> S+ 0 0 6 -3,-1.2 4,-1.9 -6,-0.3 -1,-0.2 0.854 116.3 43.7 -78.1 -41.9 9.1 16.3 1.6 640 326 B T H X S+ 0 0 68 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.928 120.2 42.8 -71.4 -41.8 11.0 15.7 4.9 641 327 B T H X S+ 0 0 17 -4,-3.0 4,-3.0 -5,-0.2 5,-0.2 0.925 114.1 51.1 -68.2 -44.5 10.2 12.0 4.8 642 328 B G H X S+ 0 0 0 -4,-1.6 4,-3.3 -5,-0.5 5,-0.2 0.881 109.2 51.2 -59.8 -39.4 10.9 11.7 1.1 643 329 B A H X S+ 0 0 46 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.925 112.5 46.0 -67.3 -41.8 14.3 13.4 1.6 644 330 B Q H X S+ 0 0 133 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.955 116.0 47.0 -60.4 -46.9 15.2 11.0 4.3 645 331 B I H >< S+ 0 0 5 -4,-3.0 3,-1.5 1,-0.2 4,-0.5 0.948 112.8 46.5 -64.3 -49.7 14.0 8.0 2.2 646 332 B R H >< S+ 0 0 10 -4,-3.3 3,-1.2 1,-0.3 -1,-0.2 0.814 102.1 66.2 -64.1 -29.3 15.8 9.1 -1.0 647 333 B S H 3< S+ 0 0 57 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.727 100.8 51.9 -64.5 -18.6 19.0 9.7 1.0 648 334 B M T << S+ 0 0 58 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.601 77.8 122.4 -93.9 -11.0 19.2 6.0 1.7 649 335 B F <> - 0 0 2 -3,-1.2 4,-2.7 -4,-0.5 5,-0.3 -0.279 64.8-134.5 -54.1 130.3 18.8 4.7 -1.9 650 336 B S H > S+ 0 0 24 -477,-2.8 4,-2.1 1,-0.2 -1,-0.1 0.816 106.9 52.0 -56.8 -30.5 21.8 2.5 -2.9 651 337 B W H > S+ 0 0 62 -478,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.878 108.7 48.8 -78.3 -33.4 22.0 4.5 -6.3 652 338 B I H > S+ 0 0 33 -3,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.923 116.6 43.0 -62.0 -48.1 22.0 7.9 -4.5 653 339 B K H X S+ 0 0 90 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.869 116.1 49.9 -63.5 -37.0 24.8 6.6 -2.1 654 340 B K H < S+ 0 0 139 -4,-2.1 4,-0.5 -5,-0.3 -2,-0.2 0.965 114.2 43.8 -63.1 -51.6 26.5 5.0 -5.2 655 341 B E H >< S+ 0 0 134 -4,-3.1 3,-1.6 1,-0.2 -2,-0.2 0.892 109.0 57.0 -61.8 -41.2 26.2 8.2 -7.1 656 342 B D H 3< S+ 0 0 96 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.885 105.0 54.2 -55.5 -40.5 27.4 10.3 -4.0 657 343 B L T 3< 0 0 104 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.669 360.0 360.0 -59.9 -22.3 30.5 8.1 -4.0 658 344 B E < 0 0 164 -3,-1.6 -3,-0.1 -4,-0.5 -2,-0.0 0.464 360.0 360.0 -45.5 360.0 31.2 9.0 -7.6 659 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 660 403 B H 0 0 207 0, 0.0 -2,-0.2 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 360.0 31.2 13.0 -6.1