==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 06-FEB-08 2VNQ . COMPND 2 MOLECULE: ISOPENTENYL-DIPHOSPHATE DELTA-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.DE RUYCK,Y.OUDJAMA,J.WOUTERS . 356 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 21.9 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 . 6 1.7 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 . 17 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 19.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 0 2 1 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 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 0 PARALLEL BRIDGES PER LADDER . 6 2 4 0 4 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 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 4 A E 0 0 102 0, 0.0 17,-2.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 139.3 4.8 4.1 23.5 2 5 A H E -A 17 0A 44 15,-0.3 2,-0.3 64,-0.1 15,-0.2 -0.740 360.0-128.8-128.5 174.1 5.8 0.9 25.3 3 6 A V E -A 16 0A 0 13,-2.3 13,-1.9 -2,-0.2 2,-0.6 -0.933 26.4-119.1-117.1 153.8 4.1 -2.3 26.4 4 7 A I E -A 15 0A 23 63,-0.4 26,-2.1 26,-0.4 11,-0.3 -0.833 29.5-137.4 -91.6 117.4 4.5 -3.7 29.9 5 8 A L E -AB 14 29A 25 9,-2.1 8,-1.7 -2,-0.6 9,-0.9 -0.471 20.6-167.0 -77.4 150.9 6.1 -7.2 30.0 6 9 A L E -A 12 0A 17 22,-2.0 2,-0.2 6,-0.3 22,-0.1 -0.921 13.0-137.4-134.1 148.1 4.9 -10.0 32.2 7 10 A N > - 0 0 57 4,-2.4 3,-2.7 -2,-0.3 4,-0.1 -0.433 49.4 -81.7 -87.8 177.4 6.0 -13.4 33.3 8 11 A A T 3 S+ 0 0 93 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.714 131.3 57.7 -52.6 -22.5 4.0 -16.6 33.6 9 12 A Q T 3 S- 0 0 150 2,-0.2 -1,-0.3 1,-0.0 -3,-0.0 0.509 118.7-110.2 -84.7 -3.5 2.6 -15.3 37.0 10 13 A G S < S+ 0 0 41 -3,-2.7 -2,-0.1 1,-0.3 104,-0.0 0.661 75.3 142.0 77.5 19.7 1.2 -12.1 35.4 11 14 A V - 0 0 76 -4,-0.1 -4,-2.4 1,-0.0 -1,-0.3 -0.801 56.2-115.0 -92.3 131.2 4.0 -10.3 37.3 12 15 A P E +A 6 0A 87 0, 0.0 -6,-0.3 0, 0.0 3,-0.1 -0.472 32.4 176.3 -77.5 134.2 5.7 -7.3 35.3 13 16 A T E - 0 0 91 -8,-1.7 2,-0.3 1,-0.3 -7,-0.2 0.366 58.4 -64.0-115.8 -8.1 9.4 -7.8 34.4 14 17 A G E -A 5 0A 34 -9,-0.9 -9,-2.1 2,-0.0 -1,-0.3 -0.995 55.4 -77.6 155.7-150.9 10.0 -4.6 32.5 15 18 A T E -A 4 0A 58 -2,-0.3 2,-0.3 -11,-0.3 -11,-0.2 -0.965 24.4-167.4-153.3 147.9 9.0 -2.7 29.4 16 19 A L E -A 3 0A 66 -13,-1.9 -13,-2.3 -2,-0.3 2,-0.1 -0.993 39.5 -87.5-142.8 158.6 9.6 -2.6 25.6 17 20 A E E > -A 2 0A 100 -2,-0.3 4,-2.4 -15,-0.2 -15,-0.3 -0.396 43.5-122.2 -65.1 131.9 8.9 -0.2 22.7 18 21 A K H > S+ 0 0 24 -17,-2.4 4,-0.7 1,-0.2 3,-0.3 0.891 104.6 39.2 -41.2 -65.7 5.3 -0.9 21.2 19 22 A Y H >4 S+ 0 0 122 1,-0.2 3,-0.7 -18,-0.2 -1,-0.2 0.853 117.0 48.6 -56.8 -44.8 6.3 -1.7 17.6 20 23 A A H 34 S+ 0 0 56 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.823 103.3 60.8 -72.3 -33.4 9.4 -3.7 18.3 21 24 A A H 3< S+ 0 0 0 -4,-2.4 2,-0.9 -3,-0.3 6,-0.5 0.707 92.4 77.6 -61.1 -21.0 7.7 -5.9 21.0 22 25 A H << + 0 0 10 -3,-0.7 2,-0.2 -4,-0.7 -1,-0.1 -0.810 66.6 118.0-105.2 104.8 5.3 -7.2 18.3 23 26 A T S > S- 0 0 46 -2,-0.9 87,-3.2 87,-0.2 3,-0.7 -0.522 82.5 -67.2-143.0-163.6 7.1 -9.7 16.2 24 27 A A T 3 S+ 0 0 63 85,-0.2 87,-0.1 1,-0.2 85,-0.1 0.553 133.8 36.2 -75.2 -3.6 7.0 -13.4 15.2 25 28 A D T 3 S- 0 0 131 85,-0.1 -1,-0.2 -4,-0.1 84,-0.1 -0.119 83.9-175.7-144.9 30.7 7.9 -14.4 18.9 26 29 A T < - 0 0 3 -3,-0.7 2,-0.2 1,-0.1 -4,-0.1 -0.060 21.1-131.0 -42.4 126.8 6.0 -11.7 20.9 27 30 A R - 0 0 106 -6,-0.5 85,-0.3 1,-0.1 -1,-0.1 -0.574 38.8 -81.1 -85.7 145.9 6.8 -12.0 24.6 28 31 A L + 0 0 23 -2,-0.2 -22,-2.0 -22,-0.1 2,-0.3 -0.153 65.3 163.1 -46.4 128.2 3.8 -11.9 27.0 29 32 A H E -Bc 5 113A 0 83,-1.5 85,-2.3 -24,-0.2 2,-0.3 -0.950 37.9 -87.4-150.6 173.4 2.6 -8.4 27.7 30 33 A L E + c 0 114A 34 -26,-2.1 -26,-0.4 -2,-0.3 2,-0.3 -0.610 46.7 150.8 -88.8 131.3 -0.2 -6.2 29.1 31 34 A A - 0 0 1 83,-2.8 2,-0.3 -2,-0.3 35,-0.3 -0.815 25.5-147.3-137.9-178.3 -3.1 -4.9 26.9 32 35 A F E -E 65 0B 0 33,-1.9 33,-1.7 -2,-0.3 2,-0.4 -0.967 3.4-156.4-144.3 157.5 -6.8 -4.0 27.5 33 36 A S E -Ef 64 117B 0 83,-2.4 85,-2.7 -2,-0.3 2,-0.4 -0.995 6.9-165.1-131.1 140.5 -10.0 -4.3 25.4 34 37 A S E -Ef 63 118B 0 29,-3.3 29,-2.0 -2,-0.4 2,-0.5 -0.986 12.5-153.4-123.0 141.4 -13.2 -2.2 25.6 35 38 A W E - f 0 119B 0 83,-2.4 85,-1.8 -2,-0.4 2,-0.4 -0.938 22.4-156.8-102.4 114.6 -16.6 -2.8 24.2 36 39 A L E - f 0 120B 0 -2,-0.5 8,-2.6 8,-0.4 2,-0.3 -0.859 8.6-169.4-103.2 135.4 -18.4 0.6 23.8 37 40 A F E -Gf 43 121B 0 83,-2.0 85,-2.1 -2,-0.4 6,-0.2 -0.919 13.4-136.3-122.7 140.4 -22.1 0.9 23.6 38 41 A N > - 0 0 20 4,-2.3 3,-2.3 -2,-0.3 85,-0.1 -0.350 42.3 -88.1 -85.1-179.1 -24.3 3.9 22.7 39 42 A A T 3 S+ 0 0 101 1,-0.3 -1,-0.1 83,-0.2 84,-0.0 0.646 129.4 58.2 -66.7 -13.4 -27.4 5.2 24.5 40 43 A K T 3 S- 0 0 172 2,-0.1 -1,-0.3 136,-0.0 136,-0.0 0.428 119.6-110.6 -82.9 -8.1 -29.5 2.8 22.3 41 44 A G < + 0 0 12 -3,-2.3 100,-0.4 1,-0.3 2,-0.3 0.523 69.6 144.1 84.6 7.2 -27.4 -0.2 23.5 42 45 A Q - 0 0 42 98,-0.1 -4,-2.3 134,-0.1 2,-0.3 -0.614 48.1-124.4 -81.1 143.4 -25.7 -0.8 20.2 43 46 A L E -GH 37 139B 0 96,-2.6 96,-2.2 -2,-0.3 2,-0.7 -0.607 15.4-129.6 -84.1 138.2 -22.1 -1.9 20.1 44 47 A L E - H 0 138B 0 -8,-2.6 18,-0.4 -2,-0.3 -8,-0.4 -0.797 24.9-169.7 -85.4 116.0 -19.5 0.1 18.2 45 48 A V E - H 0 137B 0 92,-2.9 92,-2.3 -2,-0.7 2,-0.3 -0.889 8.5-164.9-103.2 140.7 -17.5 -2.3 15.9 46 49 A T E -IH 60 136B 5 14,-2.3 14,-2.9 -2,-0.4 2,-0.5 -0.935 17.6-139.3-128.5 152.8 -14.4 -0.8 14.3 47 50 A R E -IH 59 135B 6 88,-3.1 87,-2.9 -2,-0.3 88,-0.9 -0.942 29.8-121.9-110.2 121.7 -12.2 -1.7 11.4 48 51 A R E - H 0 133B 38 10,-2.2 9,-1.5 -2,-0.5 85,-0.3 -0.302 36.8 -97.2 -64.8 144.4 -8.4 -1.1 12.1 49 52 A A > - 0 0 3 83,-3.0 8,-1.1 7,-0.2 3,-1.0 -0.050 27.1-116.7 -61.4 163.3 -6.7 1.2 9.6 50 53 A L T 3 S+ 0 0 62 6,-0.3 -1,-0.1 1,-0.2 81,-0.1 0.751 113.4 62.4 -71.8 -22.6 -4.7 -0.3 6.6 51 54 A S T 3 S+ 0 0 93 80,-0.1 -1,-0.2 5,-0.0 -2,-0.1 0.500 74.2 114.6 -76.8 -13.8 -1.6 1.2 8.0 52 55 A K < - 0 0 26 -3,-1.0 3,-0.0 1,-0.1 80,-0.0 -0.322 63.1-140.7 -58.5 145.6 -1.6 -0.8 11.4 53 56 A K S S+ 0 0 83 2,-0.1 2,-0.4 1,-0.1 -1,-0.1 0.867 87.7 45.7 -76.8 -41.0 1.3 -3.1 11.7 54 57 A A S S- 0 0 9 1,-0.2 -1,-0.1 54,-0.0 56,-0.1 -0.899 131.2 -10.3-109.5 137.1 -0.7 -5.9 13.3 55 58 A W S > S- 0 0 13 -2,-0.4 3,-1.1 54,-0.1 -1,-0.2 0.855 80.2-172.9 39.2 48.1 -4.1 -7.0 11.9 56 59 A P T 3 + 0 0 10 0, 0.0 -6,-0.3 0, 0.0 -7,-0.2 -0.432 68.7 17.3 -60.7 151.6 -4.5 -4.0 9.5 57 60 A G T 3 S+ 0 0 2 -9,-1.5 2,-0.5 -8,-1.1 -8,-0.1 0.657 97.3 136.5 60.8 20.6 -7.9 -3.7 7.7 58 61 A V < - 0 0 11 -3,-1.1 -10,-2.2 -9,-0.3 -1,-0.2 -0.880 55.7-123.4-105.9 127.2 -9.5 -6.1 10.4 59 62 A W E +Ij 47 155B 14 95,-0.5 97,-1.9 -2,-0.5 2,-0.2 -0.338 44.6 155.1 -58.0 138.8 -12.9 -5.7 12.1 60 63 A T E -I 46 0B 5 -14,-2.9 -14,-2.3 95,-0.2 -1,-0.0 -0.875 44.5 -66.6-160.4 171.1 -12.7 -5.7 15.9 61 64 A N S S- 0 0 1 -2,-0.2 -26,-0.2 -16,-0.2 -16,-0.1 -0.210 70.2 -80.9 -71.3 172.9 -14.4 -4.5 19.2 62 65 A S S S- 0 0 0 -18,-0.4 2,-0.3 1,-0.2 -27,-0.2 0.810 99.8 -9.7 -50.8 -48.4 -14.5 -0.8 19.9 63 66 A V E +E 34 0B 1 -29,-2.0 -29,-3.3 -19,-0.1 2,-0.3 -0.987 58.1 170.1-159.8 131.3 -11.0 -0.0 21.2 64 67 A C E +E 33 0B 18 -2,-0.3 2,-0.3 -31,-0.2 -31,-0.2 -0.915 18.0 130.3-134.0 169.0 -8.0 -2.0 22.4 65 68 A G E -E 32 0B 7 -33,-1.7 -33,-1.9 -2,-0.3 12,-0.1 -0.961 51.1 -70.6 171.5-161.6 -4.4 -0.9 23.2 66 69 A H - 0 0 9 -2,-0.3 -35,-0.2 -35,-0.3 -64,-0.1 -0.990 36.3-129.8-129.5 115.9 -1.6 -1.1 25.7 67 70 A P - 0 0 2 0, 0.0 -63,-0.4 0, 0.0 2,-0.2 -0.361 27.8-137.9 -65.1 149.2 -1.6 0.5 29.2 68 71 A Q > - 0 0 26 4,-0.2 3,-1.8 1,-0.2 8,-0.1 -0.539 36.6 -68.2-107.7 167.6 1.6 2.6 29.8 69 72 A L T 3 S+ 0 0 105 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 -0.324 120.8 12.1 -58.9 136.4 3.7 2.8 33.0 70 73 A G T 3 S+ 0 0 94 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.380 102.2 110.9 83.7 -2.9 1.8 4.5 35.8 71 74 A E < - 0 0 47 -3,-1.8 -1,-0.2 4,-0.0 2,-0.1 -0.869 64.5-129.4-109.6 133.6 -1.6 4.5 34.1 72 75 A S > - 0 0 48 -2,-0.4 4,-1.8 1,-0.1 -4,-0.2 -0.355 26.6-110.2 -68.0 162.8 -4.5 2.3 35.2 73 76 A N H > S+ 0 0 45 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.933 119.6 53.4 -52.4 -50.1 -6.3 0.0 32.8 74 77 A E H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.879 108.8 46.9 -56.8 -47.2 -9.4 2.3 33.0 75 78 A D H > S+ 0 0 86 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.840 108.4 56.3 -68.8 -35.1 -7.4 5.4 32.2 76 79 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.919 109.9 46.5 -57.7 -44.5 -5.8 3.6 29.3 77 80 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.936 113.5 47.6 -59.7 -49.4 -9.4 2.9 28.0 78 81 A I H X S+ 0 0 42 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.917 115.5 45.5 -61.6 -45.3 -10.5 6.5 28.5 79 82 A R H X S+ 0 0 74 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.864 112.5 48.6 -68.4 -43.6 -7.3 7.8 26.8 80 83 A R H X S+ 0 0 8 -4,-2.5 4,-2.8 -5,-0.2 5,-0.4 0.802 108.9 55.3 -65.1 -30.1 -7.4 5.5 23.8 81 84 A C H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 6,-1.4 0.945 111.5 43.1 -67.6 -47.6 -11.1 6.3 23.3 82 85 A R H X S+ 0 0 133 -4,-2.0 4,-1.0 4,-0.3 -2,-0.2 0.924 118.6 46.3 -59.5 -46.0 -10.3 10.0 23.1 83 86 A Y H < S+ 0 0 108 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.932 123.5 28.3 -64.6 -53.2 -7.3 9.3 20.8 84 87 A E H < S+ 0 0 11 -4,-2.8 45,-2.4 -5,-0.1 49,-0.3 0.844 138.6 18.2 -76.7 -35.1 -8.9 6.8 18.3 85 88 A L H < S- 0 0 0 -4,-1.8 42,-3.1 -5,-0.4 -3,-0.2 0.344 89.5-126.3-125.0 -2.4 -12.6 7.8 18.3 86 89 A G < + 0 0 32 -4,-1.0 2,-0.3 -5,-0.4 -4,-0.3 0.721 66.4 137.3 59.8 26.4 -12.6 11.4 19.8 87 90 A V - 0 0 1 -6,-1.4 2,-0.3 40,-0.1 -1,-0.2 -0.779 52.5-139.7-120.0 144.3 -15.2 10.2 22.3 88 91 A E - 0 0 72 -2,-0.3 35,-3.1 -3,-0.1 36,-0.9 -0.726 27.4-168.8 -91.3 148.7 -16.0 10.5 26.0 89 92 A I B -L 122 0C 22 -2,-0.3 33,-0.2 33,-0.3 -53,-0.0 -0.842 26.3-100.8-138.4 158.1 -17.2 7.4 27.9 90 93 A T S S- 0 0 49 31,-1.8 3,-0.1 -2,-0.3 33,-0.1 -0.355 71.3 -63.1 -69.7 166.3 -18.8 6.4 31.2 91 94 A P - 0 0 114 0, 0.0 -1,-0.2 0, 0.0 28,-0.1 -0.351 66.7-106.5 -52.8 116.7 -16.3 4.8 33.8 92 95 A P - 0 0 16 0, 0.0 2,-0.5 0, 0.0 28,-0.2 -0.212 34.8-150.8 -52.9 141.4 -14.9 1.6 32.3 93 96 A E E -K 119 0B 114 26,-3.0 26,-1.7 -3,-0.1 -3,-0.0 -0.947 16.7-114.7-118.6 132.1 -16.3 -1.6 33.9 94 97 A S E +K 118 0B 56 -2,-0.5 24,-0.3 24,-0.2 -60,-0.0 -0.298 40.3 160.1 -57.7 131.8 -14.5 -4.9 34.1 95 98 A I E S+ 0 0 4 22,-3.1 23,-0.2 1,-0.0 76,-0.2 0.559 78.1 9.6-120.9 -22.9 -16.1 -7.7 32.1 96 99 A Y E > +K 117 0B 31 21,-1.3 21,-1.6 75,-0.1 3,-1.0 -0.638 65.2 170.8-159.4 79.2 -13.2 -10.3 31.7 97 100 A P T 3 S+ 0 0 69 0, 0.0 21,-0.0 0, 0.0 -1,-0.0 0.722 76.4 50.0 -76.0 -20.7 -10.2 -9.4 33.9 98 101 A D T 3 S+ 0 0 105 17,-0.1 2,-0.1 16,-0.1 0, 0.0 0.191 73.5 141.4-105.3 12.4 -8.3 -12.6 33.3 99 102 A F < + 0 0 2 -3,-1.0 16,-3.5 16,-0.1 2,-0.4 -0.404 20.3 168.2 -60.5 131.0 -8.4 -12.8 29.5 100 103 A R E +D 114 0A 120 14,-0.3 2,-0.3 -2,-0.1 14,-0.2 -0.981 3.4 158.4-147.0 133.4 -5.1 -14.0 28.0 101 104 A Y E -D 113 0A 7 12,-1.7 12,-2.5 -2,-0.4 2,-0.3 -0.970 27.2-149.5-150.6 163.1 -4.6 -15.2 24.5 102 105 A R E +D 112 0A 123 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.989 27.2 163.1-132.7 138.7 -1.9 -15.7 21.8 103 106 A A E -D 111 0A 14 8,-2.2 8,-1.9 -2,-0.3 2,-0.4 -0.991 29.0-133.1-154.3 161.8 -2.5 -15.3 18.0 104 107 A T E -D 110 0A 80 -2,-0.3 6,-0.2 6,-0.2 -80,-0.1 -0.958 17.7-144.5-124.3 129.4 -0.8 -14.8 14.6 105 108 A D > - 0 0 7 4,-2.0 3,-3.5 -2,-0.4 4,-0.1 -0.422 39.9 -90.2 -86.5 163.9 -1.8 -12.3 12.0 106 109 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -52,-0.0 0.678 128.9 48.7 -54.9 -18.3 -1.6 -12.9 8.1 107 110 A S T 3 S- 0 0 93 2,-0.1 3,-0.1 0, 0.0 -83,-0.0 0.352 123.2-102.3 -92.4 1.5 1.9 -11.6 8.1 108 111 A G S < S+ 0 0 29 -3,-3.5 2,-0.6 1,-0.3 -54,-0.0 0.570 71.0 148.3 83.9 7.3 3.1 -13.7 11.0 109 112 A I - 0 0 23 -56,-0.1 -4,-2.0 -4,-0.1 2,-0.3 -0.679 35.9-149.3 -74.4 120.3 3.0 -10.8 13.6 110 113 A V E - D 0 104A 4 -87,-3.2 2,-0.4 -2,-0.6 -87,-0.2 -0.662 14.1-162.3 -93.5 142.2 2.1 -12.4 17.0 111 114 A E E + D 0 103A 15 -8,-1.9 -8,-2.2 -2,-0.3 2,-0.4 -0.974 11.1 177.7-115.1 138.2 0.1 -10.7 19.9 112 115 A N E + D 0 102A 17 -2,-0.4 -83,-1.5 -85,-0.3 2,-0.3 -0.908 23.0 162.8-148.8 101.9 0.6 -12.5 23.2 113 116 A E E -cD 29 101A 7 -12,-2.5 -12,-1.7 -2,-0.4 2,-0.6 -0.948 53.2-144.3-140.2 142.1 -1.3 -10.6 25.9 114 117 A V E -cD 30 100A 32 -85,-2.3 -83,-2.8 -2,-0.3 -14,-0.3 -0.983 45.0-179.5 -89.5 118.1 -2.8 -10.6 29.3 115 118 A C - 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0 0 96 -2,-0.2 4,-1.6 -98,-0.2 3,-0.2 -0.765 36.5-133.6 -85.3 139.2 -19.0 -24.6 5.5 318 144 B L H > S+ 0 0 9 -2,-0.4 4,-2.1 -100,-0.4 5,-0.2 0.822 101.5 59.1 -67.4 -34.0 -21.5 -22.5 3.4 319 145 B A H > S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 105.6 50.6 -70.2 -37.7 -24.2 -22.3 6.0 320 146 B D H > S+ 0 0 64 2,-0.2 4,-3.1 -3,-0.2 -1,-0.2 0.914 109.8 50.0 -51.5 -53.1 -21.7 -20.6 8.4 321 147 B V H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.901 111.4 49.1 -57.0 -41.6 -20.8 -18.0 5.8 322 148 B L H X S+ 0 0 15 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.844 110.7 49.5 -70.2 -38.9 -24.5 -17.3 5.1 323 149 B H H X S+ 0 0 112 -4,-2.1 4,-1.7 2,-0.2 5,-0.2 0.873 112.7 48.0 -64.6 -41.2 -25.2 -16.9 8.8 324 150 B G H X S+ 0 0 0 -4,-3.1 4,-3.5 2,-0.2 -2,-0.2 0.933 113.5 47.2 -60.5 -49.9 -22.2 -14.5 9.0 325 151 B I H < S+ 0 0 2 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.914 114.8 47.0 -57.0 -46.3 -23.5 -12.6 5.9 326 152 B D H < S+ 0 0 88 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.846 122.1 34.9 -65.4 -31.7 -27.0 -12.5 7.4 327 153 B A H < S+ 0 0 11 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.2 0.876 135.1 17.7 -90.1 -46.1 -25.7 -11.3 10.9 328 154 B T >< + 0 0 0 -4,-3.5 3,-2.3 -5,-0.2 -2,-0.2 -0.449 63.5 161.5-133.5 61.8 -22.8 -9.1 10.0 329 155 B P G > S+ 0 0 53 0, 0.0 3,-2.0 0, 0.0 8,-0.1 0.805 72.1 69.0 -54.6 -36.9 -23.0 -8.1 6.3 330 156 B W G 3 S+ 0 0 42 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.622 87.8 66.3 -58.7 -15.9 -20.6 -5.2 6.9 331 157 B A G < S+ 0 0 4 -3,-2.3 -95,-0.6 -7,-0.2 -1,-0.3 0.475 101.3 58.6 -80.1 -2.6 -17.8 -7.7 7.4 332 158 B F B < S-v 236 0E 10 -3,-2.0 -95,-0.2 -4,-0.2 -97,-0.0 -0.837 98.2 -86.3-128.4 159.9 -18.0 -8.8 3.7 333 159 B S > - 0 0 0 -97,-2.6 4,-1.6 -2,-0.3 -2,-0.1 -0.334 43.9-122.7 -59.7 145.6 -17.7 -7.2 0.2 334 160 B P H > S+ 0 0 37 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.844 108.7 53.9 -73.3 -24.1 -21.1 -5.8 -0.7 335 161 B W H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.900 106.2 53.0 -69.6 -40.2 -21.5 -7.8 -4.0 336 162 B M H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.914 111.3 47.0 -56.7 -46.2 -20.8 -11.1 -2.1 337 163 B V H X S+ 0 0 24 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.910 113.2 47.7 -59.8 -48.5 -23.6 -10.1 0.4 338 164 B M H X S+ 0 0 80 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.884 113.1 48.1 -62.6 -36.9 -26.1 -9.2 -2.4 339 165 B Q H >< S+ 0 0 2 -4,-2.4 3,-0.8 1,-0.2 7,-0.2 0.930 111.6 49.8 -68.6 -41.5 -25.4 -12.4 -4.4 340 166 B A H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.690 104.8 57.9 -71.1 -26.1 -25.8 -14.6 -1.3 341 167 B T H 3< S+ 0 0 80 -4,-1.3 2,-0.4 -5,-0.1 -1,-0.3 0.689 81.1 101.9 -81.9 -21.6 -29.1 -13.0 -0.4 342 168 B N S+ 0 0 147 -2,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.884 96.7 48.6 -59.7 -46.4 -32.9 -17.1 -3.2 344 170 B E H > S+ 0 0 85 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.920 114.5 45.7 -58.4 -44.1 -32.2 -18.7 -6.6 345 171 B A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 3,-0.2 0.937 109.3 56.9 -67.9 -37.4 -28.4 -18.2 -6.2 346 172 B R H X S+ 0 0 59 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.887 104.3 50.9 -64.0 -44.1 -28.5 -19.5 -2.6 347 173 B K H X S+ 0 0 68 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.857 111.3 47.7 -61.9 -36.9 -30.1 -22.8 -3.6 348 174 B R H X S+ 0 0 87 -4,-1.3 4,-1.3 -3,-0.2 -2,-0.2 0.860 108.2 54.4 -71.7 -38.3 -27.5 -23.6 -6.3 349 175 B L H >< S+ 0 0 1 -4,-2.6 3,-1.2 1,-0.2 4,-0.4 0.972 107.2 52.3 -59.2 -47.1 -24.7 -22.7 -3.9 350 176 B S H >< S+ 0 0 54 -4,-2.2 3,-1.5 1,-0.3 4,-0.2 0.859 103.0 58.6 -53.3 -37.2 -26.2 -25.3 -1.4 351 177 B A H >< S+ 0 0 49 -4,-1.2 3,-0.7 1,-0.3 -1,-0.3 0.802 100.0 56.8 -68.5 -30.7 -26.2 -27.9 -4.1 352 178 B F T << S+ 0 0 23 -4,-1.3 -1,-0.3 -3,-1.2 -2,-0.2 0.412 88.7 77.7 -74.0 -5.8 -22.3 -27.4 -4.5 353 179 B T T < + 0 0 55 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.560 69.3 109.7 -82.0 -5.5 -21.8 -28.3 -0.8 354 180 B Q S < S- 0 0 131 -3,-0.7 2,-0.3 -4,-0.2 -136,-0.2 -0.426 82.4-101.4 -67.7 142.1 -22.2 -32.0 -1.4 355 181 B L - 0 0 111 -138,-0.2 2,-0.8 -137,-0.1 -138,-0.2 -0.550 26.8-146.9 -62.7 128.1 -19.1 -34.2 -1.2 356 182 B K 0 0 114 -140,-2.4 -138,-0.1 -2,-0.3 -1,-0.1 -0.890 360.0 360.0-100.2 101.9 -17.8 -35.0 -4.6 357 183 B L 0 0 217 -2,-0.8 -1,-0.1 -140,-0.0 -141,-0.0 0.590 360.0 360.0 -96.6 360.0 -16.4 -38.4 -3.9