==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-SEP-08 3EEL . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA GLABRATA; . AUTHOR J.LIU,A.ANDERSON . 450 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23896.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 283 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 33 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 2 2 2 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 2 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 PARALLEL BRIDGES PER LADDER . 4 2 4 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 K 0 0 213 0, 0.0 104,-0.0 0, 0.0 103,-0.0 0.000 360.0 360.0 360.0 -42.4 12.8 -17.5 19.1 2 4 A V - 0 0 15 1,-0.0 113,-0.2 113,-0.0 112,-0.1 -0.825 360.0-103.6 -91.7 137.1 11.7 -16.9 15.5 3 5 A P - 0 0 44 0, 0.0 113,-2.5 0, 0.0 2,-0.5 -0.344 25.7-148.9 -61.7 141.0 14.6 -16.9 13.0 4 6 A V E -a 116 0A 6 111,-0.2 129,-3.4 127,-0.1 130,-1.2 -0.971 21.7-178.0-109.4 120.5 15.7 -13.5 11.7 5 7 A V E -ab 117 134A 0 111,-2.8 113,-2.4 -2,-0.5 2,-0.3 -0.986 20.1-146.4-130.3 119.5 17.0 -13.9 8.1 6 8 A G E -ab 118 135A 0 128,-2.3 130,-3.4 -2,-0.4 2,-0.4 -0.680 18.0-164.8 -82.1 140.9 18.5 -11.1 5.9 7 9 A I E + b 0 136A 6 111,-2.6 2,-0.3 -2,-0.3 130,-0.2 -0.996 18.5 154.8-136.4 127.9 17.7 -11.7 2.3 8 10 A V E - b 0 137A 7 128,-2.2 130,-2.8 -2,-0.4 2,-0.5 -0.978 38.5-136.5-154.5 148.1 19.6 -9.8 -0.5 9 11 A A E + b 0 138A 17 -2,-0.3 2,-0.4 128,-0.2 130,-0.2 -0.982 35.4 178.1-113.0 121.8 20.6 -9.9 -4.1 10 12 A A E - b 0 139A 0 128,-3.0 130,-3.4 -2,-0.5 2,-0.5 -0.990 27.6-130.6-137.1 138.8 24.3 -8.8 -4.6 11 13 A L E >> -Cb 16 140A 3 5,-2.7 4,-1.8 -2,-0.4 5,-1.5 -0.738 45.8 -94.4 -90.5 121.9 26.7 -8.5 -7.5 12 14 A L T 45S+ 0 0 4 128,-2.8 179,-0.0 -2,-0.5 -1,-0.0 -0.400 91.2 18.8 -73.4 156.6 30.1 -10.1 -7.0 13 15 A P T 45S+ 0 0 43 0, 0.0 -1,-0.2 0, 0.0 128,-0.0 -0.992 134.2 28.9 -89.4 -11.4 32.9 -9.3 -6.1 14 16 A E T 45S- 0 0 41 -3,-0.2 143,-0.3 435,-0.1 -2,-0.2 0.623 97.2-125.9 -81.8 -10.3 32.0 -6.0 -4.3 15 17 A M T <5 - 0 0 2 -4,-1.8 140,-2.9 1,-0.2 -3,-0.2 0.928 38.2-176.1 63.5 45.8 28.4 -7.2 -3.3 16 18 A G E < +CD 11 154A 0 -5,-1.5 -5,-2.7 138,-0.2 138,-0.3 -0.560 12.2 175.4 -69.1 142.4 26.8 -4.1 -4.9 17 19 A I E + 0 0 15 136,-3.1 2,-0.3 1,-0.3 137,-0.2 0.419 53.3 11.2-127.8 -10.2 23.0 -4.1 -4.3 18 20 A G E - D 0 153A 10 135,-1.1 134,-2.6 5,-0.2 135,-1.4 -0.994 44.7-155.8-166.2 163.5 21.6 -0.8 -5.7 19 21 A F B > S-L 22 0B 47 3,-2.4 3,-2.0 -2,-0.3 132,-0.1 -0.945 80.4 -13.6-152.1 124.5 22.1 2.4 -7.7 20 22 A Q T 3 S- 0 0 141 -2,-0.3 3,-0.1 1,-0.3 131,-0.0 0.855 128.1 -50.4 51.9 42.8 20.2 5.7 -7.4 21 23 A G T 3 S+ 0 0 55 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.366 121.2 93.1 82.1 -1.9 17.5 4.1 -5.2 22 24 A N B < S-L 19 0B 102 -3,-2.0 -3,-2.4 1,-0.0 -1,-0.2 -0.791 84.1 -96.1-120.7 159.7 16.8 1.2 -7.6 23 25 A L - 0 0 111 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.0 -0.524 34.2-134.0 -64.6 136.2 17.9 -2.4 -8.1 24 26 A P S S+ 0 0 27 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.472 84.6 34.3 -79.8 1.5 20.7 -2.5 -10.7 25 27 A W - 0 0 16 2,-0.1 2,-0.5 124,-0.1 -2,-0.1 -0.946 67.5-139.7-146.3 163.7 19.1 -5.4 -12.6 26 28 A R + 0 0 209 -2,-0.3 2,-0.6 4,-0.0 0, 0.0 -0.897 32.0 166.6-129.9 96.9 15.6 -6.7 -13.4 27 29 A L > - 0 0 10 -2,-0.5 4,-2.5 1,-0.1 3,-0.5 -0.929 22.1-165.7-123.7 104.9 15.7 -10.5 -13.1 28 30 A A H > S+ 0 0 69 -2,-0.6 4,-2.3 1,-0.2 -1,-0.1 0.832 89.8 51.4 -60.8 -34.5 12.3 -12.1 -13.0 29 31 A K H > S+ 0 0 95 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.818 110.7 47.2 -71.3 -33.1 13.6 -15.5 -11.7 30 32 A E H > S+ 0 0 20 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.908 112.7 50.4 -73.4 -44.1 15.5 -13.8 -8.9 31 33 A M H X S+ 0 0 87 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.879 107.8 53.3 -59.5 -40.2 12.4 -11.8 -8.0 32 34 A K H X S+ 0 0 90 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.914 109.2 49.6 -62.2 -43.6 10.3 -15.1 -8.1 33 35 A Y H X S+ 0 0 8 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.940 112.1 47.0 -55.0 -50.7 12.8 -16.7 -5.6 34 36 A F H X S+ 0 0 37 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.928 115.1 47.7 -59.5 -47.6 12.5 -13.6 -3.3 35 37 A R H X S+ 0 0 113 -4,-2.9 4,-1.9 1,-0.2 5,-0.3 0.953 115.6 42.8 -56.6 -55.1 8.7 -13.7 -3.6 36 38 A E H X S+ 0 0 46 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.914 115.1 48.5 -61.7 -45.6 8.4 -17.4 -2.9 37 39 A V H < S+ 0 0 0 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.928 116.7 41.1 -63.5 -46.7 10.9 -17.5 -0.0 38 40 A T H < S+ 0 0 0 -4,-2.2 10,-0.3 -5,-0.3 -1,-0.2 0.769 122.6 40.4 -75.6 -25.5 9.5 -14.6 1.8 39 41 A T H < S+ 0 0 37 -4,-1.9 9,-0.4 -5,-0.2 -2,-0.2 0.921 97.6 84.0 -85.8 -52.1 5.8 -15.6 1.2 40 42 A L < - 0 0 51 -4,-2.9 2,-0.3 -5,-0.3 3,-0.1 -0.160 55.2-172.3 -62.3 139.1 5.9 -19.3 1.7 41 43 A T - 0 0 28 1,-0.1 137,-0.1 5,-0.1 3,-0.1 -0.953 30.8-139.4-123.5 154.4 5.7 -21.0 5.1 42 44 A N S S+ 0 0 89 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.875 99.8 56.9 -70.2 -40.7 6.1 -24.6 6.4 43 45 A D S > S- 0 0 67 1,-0.1 3,-1.9 -3,-0.1 -1,-0.2 -0.851 77.1-152.2 -99.0 117.9 3.1 -24.0 8.7 44 46 A N T 3 S+ 0 0 158 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.527 92.0 59.7 -61.7 -15.1 -0.0 -22.9 6.8 45 47 A S T 3 S+ 0 0 79 2,-0.0 -1,-0.3 68,-0.0 2,-0.2 0.384 99.8 72.2 -95.9 -5.2 -1.5 -21.0 9.8 46 48 A K < - 0 0 62 -3,-1.9 2,-0.3 67,-0.0 67,-0.2 -0.693 60.3-160.5-108.4 165.2 1.6 -18.7 9.9 47 49 A Q E -e 113 0A 72 65,-1.9 67,-1.1 -2,-0.2 2,-0.3 -0.913 21.4-117.8-128.9 161.8 2.9 -15.8 7.8 48 50 A N E - 0 0 1 21,-0.4 23,-2.3 -9,-0.4 2,-0.4 -0.681 20.9-130.0 -90.4 157.7 6.4 -14.3 7.5 49 51 A V E -ef 116 71A 0 66,-2.2 68,-2.9 -2,-0.3 2,-0.5 -0.818 13.5-157.9 -96.2 142.8 7.3 -10.7 8.4 50 52 A V E -ef 117 72A 0 21,-3.4 23,-2.6 -2,-0.4 2,-0.5 -0.993 8.7-163.6-119.9 126.2 9.3 -8.5 5.9 51 53 A I E +ef 118 73A 0 66,-3.0 68,-2.5 -2,-0.5 69,-0.5 -0.901 15.0 168.9-109.4 132.4 11.1 -5.6 7.5 52 54 A M E - f 0 74A 0 21,-2.9 23,-2.5 -2,-0.5 69,-0.2 -0.988 34.3-108.1-143.7 151.9 12.4 -2.8 5.3 53 55 A G E > - f 0 75A 7 67,-2.2 4,-2.3 -2,-0.3 3,-0.4 -0.369 40.2-108.6 -71.3 154.2 13.9 0.8 5.5 54 56 A R H > S+ 0 0 90 21,-1.8 4,-1.9 1,-0.2 5,-0.1 0.850 117.4 52.9 -54.0 -41.0 11.7 3.7 4.5 55 57 A K H > S+ 0 0 126 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.878 108.2 50.7 -67.9 -35.9 13.7 4.4 1.3 56 58 A T H >> S+ 0 0 41 -3,-0.4 3,-0.9 2,-0.2 4,-0.8 0.934 108.4 53.0 -63.7 -45.8 13.3 0.7 0.1 57 59 A W H >< S+ 0 0 31 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.921 105.3 55.0 -50.0 -47.4 9.5 1.0 0.8 58 60 A E H 3< S+ 0 0 108 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.707 105.6 53.4 -63.9 -24.1 9.4 4.1 -1.4 59 61 A S H << S+ 0 0 54 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.572 81.3 98.7 -89.1 -15.3 11.0 2.2 -4.3 60 62 A I S << S- 0 0 27 -3,-1.3 5,-0.1 -4,-0.8 -38,-0.0 -0.606 93.3 -99.8 -69.1 130.3 8.6 -0.7 -4.4 61 63 A P > - 0 0 74 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.314 28.9-125.0 -50.8 133.4 6.1 0.0 -7.3 62 64 A Q G > S+ 0 0 155 1,-0.3 3,-0.9 2,-0.2 -2,-0.1 0.798 109.1 59.0 -51.1 -35.9 2.9 1.4 -5.7 63 65 A K G 3 S+ 0 0 181 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.767 109.5 45.1 -58.6 -29.1 0.8 -1.3 -7.4 64 66 A F G < S+ 0 0 110 -3,-1.8 -1,-0.2 3,-0.1 -2,-0.2 0.337 91.9 128.2-108.0 3.0 2.8 -4.0 -5.7 65 67 A R < + 0 0 58 -3,-0.9 2,-0.2 -4,-0.4 -8,-0.0 -0.933 53.9 39.6-120.2 144.6 3.0 -2.7 -2.0 66 68 A P S S- 0 0 42 0, 0.0 3,-0.1 0, 0.0 24,-0.1 0.546 101.5-113.6 -68.1 153.9 2.5 -3.8 0.6 67 69 A L > - 0 0 19 -2,-0.2 3,-1.0 1,-0.1 -2,-0.1 -0.409 41.1-112.1 -58.9 120.8 4.0 -7.1 -0.5 68 70 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.166 88.8 14.4 -57.9 148.4 1.0 -9.5 -0.4 69 71 A K T 3 S+ 0 0 138 1,-0.1 -21,-0.4 -3,-0.1 2,-0.3 0.533 109.3 87.7 71.9 10.8 0.7 -12.4 2.0 70 72 A R S < S- 0 0 18 -3,-1.0 2,-0.5 -23,-0.1 -21,-0.2 -0.995 84.7-109.9-136.4 145.5 3.4 -11.1 4.4 71 73 A I E -f 49 0A 37 -23,-2.3 -21,-3.4 -2,-0.3 2,-0.4 -0.630 38.9-149.7 -72.4 118.7 3.3 -8.8 7.3 72 74 A N E -fg 50 90A 0 17,-2.2 19,-2.3 -2,-0.5 2,-0.4 -0.813 14.2-172.8 -96.5 134.1 5.2 -5.6 6.0 73 75 A V E -fg 51 91A 0 -23,-2.6 -21,-2.9 -2,-0.4 2,-0.4 -0.995 3.3-166.4-126.7 124.2 7.1 -3.4 8.5 74 76 A V E -fg 52 92A 1 17,-2.6 19,-2.3 -2,-0.4 2,-0.5 -0.927 9.2-152.1-109.8 131.9 8.6 -0.1 7.4 75 77 A V E +fg 53 93A 15 -23,-2.5 -21,-1.8 -2,-0.4 2,-0.3 -0.897 23.7 157.2-113.6 131.6 11.1 1.6 9.6 76 78 A S > - 0 0 19 17,-2.3 3,-1.5 -2,-0.5 -2,-0.0 -0.987 43.5-134.5-146.5 137.6 11.7 5.4 9.7 77 79 A R T 3 S+ 0 0 56 -2,-0.3 17,-0.1 1,-0.2 -1,-0.0 0.621 107.4 62.4 -70.6 -9.0 13.2 7.5 12.5 78 80 A S T 3 S+ 0 0 97 15,-0.1 -1,-0.2 226,-0.0 16,-0.1 0.466 85.1 100.5 -91.8 0.3 10.2 9.9 11.9 79 81 A F S < S- 0 0 40 -3,-1.5 3,-0.1 14,-0.2 -4,-0.0 -0.261 82.2-108.7 -81.2 171.8 7.6 7.2 12.9 80 82 A D S S- 0 0 121 1,-0.1 2,-0.3 4,-0.0 13,-0.1 0.814 71.7 -39.9 -80.8 -39.1 5.9 7.0 16.4 81 83 A G S S- 0 0 23 11,-0.2 13,-1.4 3,-0.0 3,-0.3 -0.843 79.4 -48.2 178.2-154.8 7.4 4.0 18.2 82 84 A E S S- 0 0 97 1,-0.3 13,-0.2 -2,-0.3 20,-0.1 0.659 112.1 -6.0-100.7 -18.4 8.4 0.6 18.1 83 85 A L + 0 0 54 10,-0.1 2,-0.5 19,-0.1 -1,-0.3 -0.532 68.1 165.6-172.3 100.2 5.6 -1.3 16.2 84 86 A R E -H 92 0A 130 8,-2.9 8,-3.1 -3,-0.3 2,-0.2 -0.966 35.2-124.9-128.1 128.4 2.4 0.3 15.2 85 87 A K E +H 91 0A 103 -2,-0.5 6,-0.3 6,-0.2 3,-0.1 -0.510 34.0 165.8 -62.4 128.2 -0.3 -0.8 12.8 86 88 A V E - 0 0 60 4,-3.1 2,-0.3 1,-0.6 5,-0.2 0.619 63.5 -11.6-119.1 -22.0 -1.0 1.9 10.2 87 89 A E E > S-H 90 0A 117 3,-1.5 3,-2.2 0, 0.0 -1,-0.6 -0.939 96.1 -58.2-164.1 170.9 -3.0 0.2 7.5 88 90 A D T 3 S+ 0 0 120 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.440 127.9 5.0 -62.7 123.3 -3.9 -3.4 6.5 89 91 A G T 3 S+ 0 0 34 -2,-0.2 -17,-2.2 1,-0.1 2,-0.5 0.327 113.6 103.6 88.2 -5.2 -0.7 -5.3 6.0 90 92 A I E < +gH 72 87A 22 -3,-2.2 -4,-3.1 -19,-0.1 -3,-1.5 -0.948 41.4 177.5-124.8 121.5 1.4 -2.3 7.2 91 93 A Y E -gH 73 85A 76 -19,-2.3 -17,-2.6 -2,-0.5 2,-0.4 -0.934 16.4-149.0-114.6 140.3 3.2 -1.7 10.4 92 94 A H E -gH 74 84A 45 -8,-3.1 -8,-2.9 -2,-0.4 2,-0.3 -0.935 16.4-179.4-106.8 135.3 5.4 1.4 11.1 93 95 A S E -g 75 0A 0 -19,-2.3 -17,-2.3 -2,-0.4 -11,-0.2 -0.991 26.7-158.5-130.6 144.7 8.4 1.3 13.5 94 96 A N S S+ 0 0 17 -13,-1.4 2,-0.3 -2,-0.3 -12,-0.1 0.324 85.7 47.7 -97.2 11.2 10.9 3.9 14.6 95 97 A S > - 0 0 4 -14,-0.2 4,-2.6 -13,-0.2 5,-0.2 -0.858 58.2-159.7-155.7 114.6 13.5 1.3 15.5 96 98 A L H > S+ 0 0 10 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.931 101.8 46.4 -51.6 -48.9 14.8 -1.7 13.6 97 99 A R H > S+ 0 0 66 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.928 114.9 42.4 -62.7 -50.4 16.0 -3.2 17.0 98 100 A N H > S+ 0 0 29 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.866 110.4 59.1 -70.7 -35.0 12.9 -2.5 19.1 99 101 A C H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.941 106.5 47.7 -51.0 -51.5 10.7 -3.7 16.1 100 102 A L H X S+ 0 0 13 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.921 112.0 48.8 -62.6 -46.1 12.5 -7.1 16.2 101 103 A T H X S+ 0 0 104 -4,-2.0 4,-0.7 1,-0.2 3,-0.3 0.930 113.0 49.0 -55.0 -44.1 12.1 -7.4 20.0 102 104 A A H >< S+ 0 0 15 -4,-2.9 3,-0.9 1,-0.2 -2,-0.2 0.914 109.4 51.1 -64.2 -44.3 8.4 -6.5 19.7 103 105 A L H 3< S+ 0 0 13 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.759 104.9 58.8 -63.3 -25.6 7.8 -9.0 16.9 104 106 A Q H 3< S+ 0 0 53 -4,-1.4 2,-0.3 -3,-0.3 -1,-0.2 0.620 75.2 112.4 -80.4 -19.0 9.4 -11.8 19.0 105 107 A S S+ 0 0 66 -2,-0.3 4,-1.7 1,-0.2 5,-0.3 0.809 94.5 57.4 -63.0 -31.0 4.8 -14.6 21.9 107 109 A L H 4 S+ 0 0 156 2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.888 114.2 36.0 -66.6 -40.0 2.0 -12.7 23.6 108 110 A A H 4 S+ 0 0 74 -6,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.863 125.8 39.4 -79.2 -35.4 1.9 -10.2 20.7 109 111 A N H >< S- 0 0 12 -4,-2.7 3,-2.9 -7,-0.1 -2,-0.2 0.548 87.4-144.5 -97.2 -9.3 2.6 -12.6 17.9 110 112 A E T 3< - 0 0 133 -4,-1.7 -3,-0.1 1,-0.3 -4,-0.1 0.756 63.5 -77.9 51.3 28.4 0.5 -15.7 19.2 111 113 A N T 3 S+ 0 0 95 -5,-0.3 -1,-0.3 -6,-0.2 -5,-0.1 0.824 105.6 125.7 43.3 41.0 3.3 -17.7 17.7 112 114 A K < + 0 0 108 -3,-2.9 -65,-1.9 -6,-0.1 2,-0.5 0.167 44.8 85.5-107.7 15.5 1.8 -17.2 14.2 113 115 A I E - e 0 47A 17 -67,-0.2 -65,-0.2 1,-0.1 3,-0.1 -0.992 53.7-170.3-108.6 120.4 5.0 -15.7 12.4 114 116 A E E - 0 0 30 -67,-1.1 2,-0.3 -2,-0.5 -66,-0.2 0.934 66.6 -5.3 -47.8 -68.0 7.3 -18.3 11.0 115 117 A R E - 0 0 28 -68,-0.2 -66,-2.2 -113,-0.2 2,-0.6 -0.953 57.2-133.1-139.0 159.4 10.3 -16.1 10.1 116 118 A I E -ae 4 49A 0 -113,-2.5 -111,-2.8 -2,-0.3 2,-0.5 -0.975 24.8-162.7-112.6 112.1 11.3 -12.5 10.0 117 119 A Y E -ae 5 50A 1 -68,-2.9 -66,-3.0 -2,-0.6 2,-0.7 -0.872 10.3-150.6 -95.2 128.4 13.0 -11.5 6.8 118 120 A I E -ae 6 51A 0 -113,-2.4 -111,-2.6 -2,-0.5 -66,-0.2 -0.895 16.7-177.2 -97.8 116.1 15.0 -8.3 6.6 119 121 A I - 0 0 16 -68,-2.5 -67,-0.2 -2,-0.7 2,-0.2 0.219 32.6-176.6-110.3 12.6 14.6 -7.2 2.9 120 122 A G - 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s 0 300D 0 21,-2.6 23,-2.3 -2,-0.5 69,-0.3 -0.981 34.8-108.9-140.8 151.6 24.2 9.0 26.6 279 55 B G E > - s 0 301D 7 67,-2.0 4,-2.1 -2,-0.3 3,-0.5 -0.400 40.6-104.8 -74.1 157.8 20.7 7.6 26.3 280 56 B R H > S+ 0 0 93 21,-1.9 4,-2.3 1,-0.2 5,-0.2 0.849 118.4 54.3 -51.6 -43.4 17.7 9.7 27.4 281 57 B K H > S+ 0 0 140 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.884 108.3 49.2 -63.2 -39.1 17.1 7.7 30.6 282 58 B T H >> S+ 0 0 38 -3,-0.5 4,-0.8 2,-0.2 3,-0.6 0.930 109.7 51.8 -61.9 -47.6 20.7 8.1 31.7 283 59 B W H >< S+ 0 0 33 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.930 107.1 53.6 -52.1 -50.1 20.5 11.9 31.1 284 60 B E H 3< S+ 0 0 110 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.759 106.7 54.5 -62.1 -22.9 17.3 12.1 33.2 285 61 B S H << S+ 0 0 52 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.631 82.6 97.1 -87.0 -15.5 19.2 10.3 36.1 286 62 B I S << S- 0 0 28 -3,-1.3 5,-0.1 -4,-0.8 -38,-0.0 -0.598 93.6 -97.9 -69.9 131.4 22.1 12.8 36.3 287 63 B P > - 0 0 76 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.325 32.2-123.8 -52.0 128.5 21.5 15.3 39.1 288 64 B Q G > S+ 0 0 153 1,-0.3 3,-0.7 2,-0.2 -2,-0.1 0.738 108.7 54.5 -47.6 -34.0 20.1 18.5 37.6 289 65 B K G 3 S+ 0 0 198 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.715 109.8 50.4 -74.6 -17.7 22.7 20.8 39.0 290 66 B F G < S+ 0 0 137 -3,-2.3 -1,-0.2 3,-0.1 -2,-0.2 0.403 90.6 123.4-102.9 -0.8 25.4 18.6 37.5 291 67 B R < + 0 0 59 -3,-0.7 2,-0.1 -4,-0.4 -8,-0.0 -0.922 53.4 41.9-117.8 147.5 24.1 18.4 33.9 292 68 B P S S- 0 0 43 0, 0.0 3,-0.1 0, 0.0 24,-0.1 0.553 100.4-114.0 -68.4 153.5 25.2 19.0 31.3 293 69 B L > - 0 0 19 -2,-0.1 3,-1.1 1,-0.1 -2,-0.1 -0.401 40.7-113.7 -58.7 118.4 28.5 17.4 32.3 294 70 B P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.166 89.4 14.0 -57.4 145.0 30.9 20.4 32.3 295 71 B K T 3 S+ 0 0 150 1,-0.1 -21,-0.4 -3,-0.1 2,-0.3 0.547 109.1 90.5 71.2 11.8 33.9 20.7 29.8 296 72 B R S < S- 0 0 16 -3,-1.1 2,-0.6 -23,-0.1 -21,-0.2 -0.990 83.2-112.8-132.7 143.8 32.5 17.9 27.5 297 73 B I E -s 275 0D 35 -23,-2.5 -21,-2.7 -2,-0.3 2,-0.4 -0.685 38.8-149.1 -73.5 116.5 30.1 18.1 24.5 298 74 B N E -st 276 316D 0 17,-1.9 19,-2.7 -2,-0.6 2,-0.4 -0.804 15.9-174.2 -92.8 131.5 27.0 16.3 25.8 299 75 B V E -st 277 317D 0 -23,-2.7 -21,-2.6 -2,-0.4 2,-0.5 -0.993 4.3-165.8-123.5 126.9 24.8 14.3 23.3 300 76 B V E -st 278 318D 1 17,-2.5 19,-2.4 -2,-0.4 2,-0.5 -0.943 9.5-150.4-111.4 131.9 21.5 12.8 24.5 301 77 B V E +st 279 319D 13 -23,-2.3 -21,-1.9 -2,-0.5 2,-0.3 -0.905 24.9 157.8-108.4 129.6 19.8 10.2 22.2 302 78 B S > - 0 0 19 17,-2.2 3,-1.4 -2,-0.5 -2,-0.0 -0.983 41.4-137.9-145.5 137.7 16.0 9.8 22.1 303 79 B R T 3 S+ 0 0 55 -2,-0.3 17,-0.1 1,-0.3 -1,-0.0 0.700 105.8 62.5 -72.6 -14.3 14.0 8.3 19.4 304 80 B S T 3 S+ 0 0 97 -3,-0.0 -1,-0.3 -226,-0.0 16,-0.1 0.437 85.3 100.8 -88.6 1.1 11.5 11.1 19.9 305 81 B F S < S- 0 0 44 -3,-1.4 3,-0.1 14,-0.2 14,-0.1 -0.259 81.8-110.9 -92.4-179.1 14.1 13.8 18.9 306 82 B D - 0 0 128 1,-0.1 2,-0.2 -2,-0.1 13,-0.1 0.696 69.7 -35.3-121.3 -33.6 14.2 15.4 15.6 307 83 B G S S- 0 0 23 11,-0.1 13,-1.8 3,-0.0 3,-0.3 -0.835 77.7 -48.0-178.7-147.8 17.3 14.2 13.7 308 84 B E S S- 0 0 97 1,-0.4 13,-0.3 11,-0.3 2,-0.2 0.708 111.1 -11.2-109.8 -34.8 20.7 13.2 13.6 309 85 B L S S+ 0 0 48 10,-0.1 2,-0.4 19,-0.1 -1,-0.4 -0.612 70.5 169.1-169.0 99.8 22.7 15.8 15.6 310 86 B R E -U 318 0D 138 8,-2.9 8,-3.0 -3,-0.3 2,-0.4 -0.957 33.6-127.3-123.4 131.3 21.0 19.1 16.7 311 87 B K E +U 317 0D 114 -2,-0.4 6,-0.3 6,-0.2 3,-0.1 -0.693 33.4 166.6 -73.5 126.8 22.2 21.7 19.1 312 88 B V E - 0 0 56 4,-2.9 2,-0.3 1,-0.5 5,-0.2 0.602 62.8 -10.7-113.7 -24.1 19.4 22.3 21.6 313 89 B E E > S-U 316 0D 132 3,-1.7 3,-2.8 0, 0.0 -1,-0.5 -0.953 95.0 -57.6-163.9 170.1 21.3 24.4 24.4 314 90 B D T 3 S+ 0 0 135 1,-0.3 3,-0.1 -2,-0.3 -3,-0.0 -0.356 128.0 3.6 -59.7 119.4 24.8 25.4 25.4 315 91 B G T 3 S+ 0 0 34 -2,-0.2 -17,-1.9 1,-0.1 2,-0.5 0.419 114.8 104.4 87.3 -1.4 26.7 22.2 25.8 316 92 B I E < +tU 298 313D 12 -3,-2.8 -4,-2.9 -19,-0.1 -3,-1.7 -0.952 40.6 175.7-127.2 120.8 23.8 20.0 24.7 317 93 B Y E -tU 299 311D 75 -19,-2.7 -17,-2.5 -2,-0.5 2,-0.4 -0.898 16.7-149.3-112.5 143.9 23.1 18.2 21.4 318 94 B H E -tU 300 310D 43 -8,-3.0 -8,-2.9 -2,-0.4 2,-0.4 -0.948 15.3-178.5-111.7 136.4 20.1 16.0 20.7 319 95 B S E -t 301 0D 0 -19,-2.4 -17,-2.2 -2,-0.4 -11,-0.3 -0.992 26.8-156.6-130.5 145.0 20.1 13.0 18.4 320 96 B N S S+ 0 0 15 -13,-1.8 2,-0.3 -2,-0.4 -12,-0.1 0.313 85.7 48.3 -95.3 14.0 17.5 10.5 17.3 321 97 B S > - 0 0 2 -13,-0.3 4,-2.7 -14,-0.2 -1,-0.2 -0.844 58.1-158.8-161.9 108.0 20.1 7.9 16.4 322 98 B L H > S+ 0 0 9 -2,-0.3 4,-0.8 1,-0.2 -1,-0.1 0.884 102.8 43.8 -38.0 -52.0 23.2 6.5 18.3 323 99 B R H >> S+ 0 0 56 1,-0.2 4,-1.9 2,-0.2 3,-0.6 0.897 116.5 42.5 -90.1 -43.3 24.6 5.3 15.0 324 100 B N H 3> S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.853 111.5 59.3 -69.3 -32.7 23.9 8.5 12.8 325 101 B C H 3X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.885 105.6 47.3 -46.0 -42.7 25.0 10.6 15.8 326 102 B L H < S+ 0 0 17 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.928 108.2 50.3 -61.9 -44.9 27.9 13.1 12.1 329 105 B L H 3< S+ 0 0 13 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.802 104.3 60.7 -75.0 -25.6 30.4 13.7 14.9 330 106 B Q T 3< S+ 0 0 58 -4,-2.1 2,-0.4 -5,-0.1 -1,-0.3 0.537 75.0 112.6 -52.4 -18.9 33.1 12.0 12.8 331 107 B S <> - 0 0 48 -3,-1.5 4,-2.3 -4,-0.5 5,-0.2 -0.525 57.3-156.1 -65.3 116.9 32.8 14.6 10.0 332 108 B S H > S+ 0 0 62 -2,-0.4 4,-2.4 1,-0.2 5,-0.4 0.805 96.0 56.7 -59.3 -29.8 36.1 16.6 9.9 333 109 B L H 4 S+ 0 0 156 2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.959 111.9 38.3 -68.9 -48.9 34.0 19.3 8.3 334 110 B A H 4 S+ 0 0 76 -6,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.868 125.5 38.4 -65.7 -36.1 31.5 19.5 11.2 335 111 B N H >< S- 0 0 18 -4,-2.3 3,-2.9 -7,-0.1 -2,-0.2 0.558 88.4-139.8-114.1 -9.9 34.0 19.0 13.9 336 112 B E T 3< - 0 0 156 -4,-2.4 -3,-0.1 1,-0.4 -4,-0.1 0.799 65.0 -75.9 79.6 25.0 37.1 21.0 12.7 337 113 B N T 3 S+ 0 0 101 -5,-0.4 -1,-0.4 -6,-0.2 -5,-0.1 0.799 107.1 122.9 37.4 40.8 39.2 18.1 14.0 338 114 B K < + 0 0 87 -3,-2.9 -65,-1.7 -6,-0.1 2,-0.6 0.114 41.2 90.1-111.5 18.5 38.6 19.5 17.6 339 115 B I E - r 0 273D 15 -67,-0.2 -65,-0.2 1,-0.2 3,-0.1 -0.988 51.7-173.2-100.8 121.4 37.0 16.3 19.3 340 116 B E E - 0 0 33 -67,-1.6 2,-0.3 -2,-0.6 -66,-0.2 0.971 65.5 -4.3 -57.5 -66.9 39.7 14.1 20.8 341 117 B R E - 0 0 29 -68,-0.2 -66,-2.3 -113,-0.2 2,-0.6 -0.919 57.5-135.5-134.3 157.2 37.5 11.1 21.8 342 118 B I E -nr 230 275D 0 -113,-2.4 -111,-2.9 -2,-0.3 2,-0.5 -0.978 24.7-162.4-110.7 109.7 33.9 10.1 21.8 343 119 B Y E -nr 231 276D 1 -68,-3.2 -66,-3.0 -2,-0.6 2,-0.7 -0.844 10.8-150.2 -94.3 128.3 32.9 8.5 25.1 344 120 B I E -nr 232 277D 0 -113,-2.3 -111,-2.9 -2,-0.5 -66,-0.2 -0.900 17.6-178.6 -97.5 115.2 29.7 6.4 25.3 345 121 B I - 0 0 16 -68,-2.6 -67,-0.2 -2,-0.7 2,-0.2 0.219 33.2-173.5-112.0 11.4 28.7 6.8 28.9 346 122 B G - 0 0 1 -69,-0.5 -67,-2.0 1,-0.2 -1,-0.3 -0.490 48.6-135.8 120.4 179.7 25.5 4.7 29.1 347 123 B G > - 0 0 16 -69,-0.3 4,-2.9 -2,-0.2 5,-0.2 0.354 52.7 -92.6-105.0-142.1 23.0 3.3 29.9 348 124 B G H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.874 121.9 42.8 -54.1 -49.4 22.1 -0.4 29.4 349 125 B E H > S+ 0 0 74 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.880 115.4 50.8 -69.2 -36.3 20.3 -0.1 26.0 350 126 B I H 4 S+ 0 0 14 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.954 110.4 49.2 -63.8 -48.1 22.9 2.3 24.7 351 127 B Y H >X S+ 0 0 15 -4,-2.9 3,-1.1 1,-0.2 4,-0.6 0.856 105.1 57.5 -60.9 -41.6 25.8 -0.1 25.7 352 128 B R H >< S+ 0 0 107 -4,-2.2 3,-0.8 1,-0.2 4,-0.2 0.931 110.5 44.9 -50.8 -44.9 24.0 -3.1 24.0 353 129 B Q T 3< S+ 0 0 23 -4,-1.5 -1,-0.2 1,-0.2 3,-0.2 0.513 106.2 63.2 -78.4 -8.3 24.1 -1.2 20.8 354 130 B S T X> S+ 0 0 0 -3,-1.1 4,-2.7 -4,-0.5 3,-1.1 0.497 73.8 86.6 -97.5 -6.8 27.7 -0.1 21.2 355 131 B M T << S+ 0 0 2 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.1 0.844 97.8 43.2 -59.2 -31.4 29.5 -3.4 21.2 356 132 B D T 34 S+ 0 0 43 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.510 120.3 42.3 -89.2 -15.7 29.6 -3.1 17.5 357 133 B L T <4 S+ 0 0 33 -3,-1.1 -2,-0.2 -4,-0.0 -127,-0.2 0.713 89.0 90.8-110.1 -31.5 30.6 0.6 17.5 358 134 B A < - 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