==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 15-OCT-03 1R67 . COMPND 2 MOLECULE: ISOPENTENYL-DIPHOSPHATE DELTA-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.WOUTERS . 151 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7987.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 20.5 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 . 2 1.3 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 . 8 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 21.9 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+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 0 0 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 1 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 . 1 2 2 0 1 1 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 . 1 0 0 0 0 0 1 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 33 A L 0 0 114 0, 0.0 2,-0.3 0, 0.0 85,-0.2 0.000 360.0 360.0 360.0 117.6 57.8 21.3 -4.7 2 34 A A - 0 0 4 83,-2.8 2,-0.3 35,-0.2 35,-0.3 -0.878 360.0-137.1-155.5-176.5 55.3 21.4 -1.8 3 35 A F E -A 36 0A 0 33,-2.0 33,-1.8 -2,-0.3 2,-0.3 -0.989 6.3-156.3-144.8 160.9 52.0 22.6 -0.4 4 36 A S E -Ab 35 88A 0 83,-2.1 85,-2.4 -2,-0.3 2,-0.4 -0.981 10.1-163.8-136.0 154.8 50.6 24.0 2.8 5 37 A S E -Ab 34 89A 0 29,-2.7 29,-2.1 -2,-0.3 2,-0.5 -0.998 13.0-156.2-141.1 142.5 47.0 23.9 4.1 6 38 A W E - b 0 90A 1 83,-2.1 85,-2.0 -2,-0.4 2,-0.4 -0.971 22.5-158.8-112.3 119.2 45.0 25.8 6.7 7 39 A L E -Cb 15 91A 0 8,-0.5 8,-2.8 -2,-0.5 2,-0.3 -0.850 10.7-175.2-110.6 144.8 42.0 23.9 8.0 8 40 A F E -Cb 14 92A 0 83,-2.1 85,-2.5 -2,-0.4 6,-0.2 -0.898 21.4-127.6-128.0 152.7 38.9 25.2 9.7 9 41 A N > - 0 0 24 4,-1.8 3,-1.9 -2,-0.3 141,-0.1 -0.398 42.2 -93.1 -91.8 179.6 35.9 23.4 11.2 10 42 A A T 3 S+ 0 0 49 1,-0.3 140,-2.9 83,-0.2 -1,-0.1 0.861 126.0 62.4 -62.8 -28.4 32.3 24.3 10.2 11 43 A K T 3 S- 0 0 155 138,-0.2 -1,-0.3 140,-0.1 138,-0.1 0.588 118.8-110.8 -72.1 -10.0 32.2 26.7 13.1 12 44 A G < + 0 0 6 -3,-1.9 100,-0.4 1,-0.3 2,-0.2 0.533 69.2 141.6 96.5 1.8 35.0 28.7 11.6 13 45 A Q - 0 0 62 98,-0.1 -4,-1.8 99,-0.1 2,-0.3 -0.557 48.2-125.2 -76.4 146.8 37.7 27.9 14.1 14 46 A L E -CD 8 110A 0 96,-2.7 96,-2.6 -6,-0.2 2,-0.7 -0.719 12.4-135.7 -91.2 138.6 41.3 27.3 12.8 15 47 A L E -CD 7 109A 0 -8,-2.8 -8,-0.5 -2,-0.3 18,-0.4 -0.865 21.7-174.3 -93.6 115.2 43.2 24.1 13.5 16 48 A V E - D 0 108A 11 92,-2.7 92,-2.5 -2,-0.7 2,-0.3 -0.819 9.3-161.9-101.9 149.0 46.8 24.8 14.6 17 49 A T E -ED 31 107A 5 14,-2.3 14,-3.2 -2,-0.3 2,-0.5 -0.897 16.2-134.5-130.1 158.5 49.1 21.8 15.0 18 50 A R E -ED 30 106A 72 88,-2.7 87,-2.5 -2,-0.3 88,-0.8 -0.976 29.5-121.7-114.7 124.3 52.4 21.0 16.7 19 51 A R E - D 0 104A 34 10,-2.6 9,-1.6 -2,-0.5 85,-0.3 -0.369 37.7 -99.7 -65.6 136.7 55.0 19.0 14.7 20 52 A A > - 0 0 4 83,-2.6 3,-1.8 7,-0.2 8,-0.5 -0.150 26.0-114.7 -56.2 152.0 56.0 15.8 16.4 21 53 A L T 3 S+ 0 0 123 1,-0.3 -1,-0.1 6,-0.3 -2,-0.1 0.714 114.9 58.4 -57.2 -24.2 59.4 15.7 18.3 22 54 A S T 3 S+ 0 0 95 80,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.445 74.2 117.8 -89.9 -1.2 60.6 13.2 15.7 23 55 A K < - 0 0 52 -3,-1.8 80,-0.0 1,-0.1 3,-0.0 -0.356 64.3-136.7 -61.3 143.1 60.1 15.3 12.5 24 56 A K S S+ 0 0 175 1,-0.1 2,-0.4 2,-0.1 -1,-0.1 0.960 89.0 43.4 -66.2 -43.5 63.5 16.0 10.8 25 57 A A S S- 0 0 6 1,-0.2 -1,-0.1 54,-0.1 -2,-0.0 -0.844 129.4 -8.4-108.6 138.0 62.7 19.6 10.2 26 58 A W S > S- 0 0 11 -2,-0.4 3,-1.3 1,-0.1 -1,-0.2 0.871 79.3-172.5 44.7 49.9 61.1 22.0 12.8 27 59 A P T 3 + 0 0 53 0, 0.0 -6,-0.3 0, 0.0 -7,-0.2 -0.446 67.1 17.2 -65.9 144.4 60.3 19.2 15.3 28 60 A G T 3 S+ 0 0 14 -9,-1.6 2,-0.4 -8,-0.5 -7,-0.1 0.533 95.7 133.8 79.5 5.8 58.2 20.4 18.3 29 61 A V < - 0 0 27 -3,-1.3 -10,-2.6 -9,-0.2 2,-0.2 -0.742 56.8-123.3-105.0 138.3 57.1 23.6 16.5 30 62 A W E +Ef 18 126A 71 95,-0.5 97,-2.7 -2,-0.4 2,-0.3 -0.542 47.1 148.9 -74.2 137.7 53.6 25.1 16.3 31 63 A T E -E 17 0A 4 -14,-3.2 -14,-2.3 -2,-0.2 95,-0.0 -0.895 47.0 -60.9-159.0 178.4 52.4 25.6 12.8 32 64 A N S S- 0 0 1 -2,-0.3 -26,-0.2 -16,-0.2 -15,-0.1 -0.111 70.1 -82.0 -70.6 175.4 49.4 25.7 10.4 33 65 A S S S- 0 0 0 -18,-0.4 2,-0.3 1,-0.1 -27,-0.2 0.873 95.0 -11.8 -56.9 -55.3 47.3 22.6 9.9 34 66 A V E +A 5 0A 2 -29,-2.1 -29,-2.7 -17,-0.0 2,-0.3 -0.996 52.3 176.1-146.0 149.3 49.3 20.5 7.4 35 67 A C E +A 4 0A 33 -2,-0.3 2,-0.3 -31,-0.2 -31,-0.2 -0.984 21.3 120.6-145.8 163.6 52.1 20.7 4.9 36 68 A G E -A 3 0A 12 -33,-1.8 -33,-2.0 -2,-0.3 12,-0.1 -0.946 50.5 -67.5 177.4-155.1 53.9 18.2 2.6 37 69 A H - 0 0 97 -2,-0.3 -35,-0.2 -35,-0.3 49,-0.0 -0.992 35.1-126.6-136.6 130.9 54.9 17.2 -0.9 38 70 A P - 0 0 26 0, 0.0 2,-0.1 0, 0.0 6,-0.1 -0.366 30.7-119.4 -68.8 155.2 52.8 16.1 -3.8 39 71 A Q > - 0 0 113 4,-0.2 3,-2.5 1,-0.1 2,-0.1 -0.498 46.1 -68.8 -91.2 170.9 53.7 12.8 -5.5 40 72 A L T 3 S+ 0 0 167 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.371 124.4 5.4 -56.8 127.5 54.7 12.4 -9.1 41 73 A G T 3 S+ 0 0 76 1,-0.3 2,-0.4 -2,-0.1 -1,-0.3 0.562 101.9 128.1 76.1 8.3 51.7 13.1 -11.3 42 74 A E < - 0 0 42 -3,-2.5 -1,-0.3 4,-0.0 2,-0.1 -0.794 58.7-125.1 -99.6 139.6 49.6 14.1 -8.3 43 75 A S > - 0 0 48 -2,-0.4 4,-2.1 1,-0.1 -4,-0.2 -0.430 20.6-121.1 -72.3 157.5 47.7 17.4 -8.2 44 76 A N H > S+ 0 0 43 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.916 114.9 56.2 -64.5 -40.9 48.3 19.7 -5.3 45 77 A E H > S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.948 109.5 45.0 -51.8 -53.5 44.6 19.5 -4.4 46 78 A D H > S+ 0 0 88 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.848 110.4 54.8 -63.2 -33.1 44.8 15.7 -4.2 47 79 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.923 107.7 50.3 -65.4 -39.9 48.1 15.9 -2.2 48 80 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.968 111.9 46.9 -61.3 -50.7 46.3 18.1 0.4 49 81 A I H X S+ 0 0 47 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.916 113.9 49.3 -55.2 -48.0 43.4 15.7 0.7 50 82 A R H X S+ 0 0 56 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.904 112.3 46.0 -59.2 -46.8 45.9 12.8 1.0 51 83 A R H X S+ 0 0 43 -4,-2.9 4,-3.3 1,-0.2 5,-0.5 0.874 108.2 55.8 -71.5 -32.2 48.0 14.4 3.7 52 84 A C H X S+ 0 0 0 -4,-2.5 6,-1.7 -5,-0.3 4,-1.7 0.917 111.3 45.6 -63.4 -39.1 45.0 15.6 5.7 53 85 A R H X S+ 0 0 130 -4,-1.7 4,-1.1 4,-0.3 -2,-0.2 0.916 117.3 45.8 -63.9 -41.4 43.9 11.9 5.8 54 86 A Y H < S+ 0 0 112 -4,-2.1 -2,-0.2 2,-0.2 -3,-0.2 0.925 124.1 26.7 -72.1 -51.0 47.4 10.8 6.7 55 87 A E H < S+ 0 0 14 -4,-3.3 45,-2.2 -5,-0.1 48,-0.2 0.797 138.9 21.9 -86.1 -26.6 48.5 13.2 9.4 56 88 A L H < S- 0 0 0 -4,-1.7 42,-2.5 -5,-0.5 -3,-0.2 0.291 88.8-130.3-127.7 3.9 45.0 14.1 10.8 57 89 A G < + 0 0 28 -4,-1.1 2,-0.3 40,-0.2 -4,-0.3 0.715 64.9 136.6 51.8 26.7 42.8 11.2 9.8 58 90 A V - 0 0 1 -6,-1.7 2,-0.3 40,-0.1 -1,-0.2 -0.766 53.1-138.1-116.6 150.4 40.3 13.8 8.5 59 91 A E - 0 0 80 -2,-0.3 35,-2.8 37,-0.1 36,-0.8 -0.746 28.2-166.5 -93.4 149.2 38.1 14.5 5.5 60 92 A I B -H 93 0B 26 -2,-0.3 33,-0.2 33,-0.3 -53,-0.0 -0.859 24.0-105.2-136.5 163.6 37.9 18.0 4.0 61 93 A T S S- 0 0 47 31,-1.9 3,-0.1 -2,-0.3 33,-0.1 -0.337 70.9 -62.2 -76.6 165.7 35.9 20.2 1.6 62 94 A P - 0 0 116 0, 0.0 -1,-0.2 0, 0.0 28,-0.1 -0.336 66.4-111.4 -55.1 120.7 37.5 21.0 -1.8 63 95 A P - 0 0 18 0, 0.0 2,-0.4 0, 0.0 28,-0.2 -0.340 28.7-141.9 -57.0 133.3 40.7 22.8 -1.0 64 96 A E E -G 90 0A 63 26,-3.3 26,-2.1 -3,-0.1 2,-0.6 -0.813 14.3-123.2 -95.5 137.7 40.7 26.4 -2.0 65 97 A S E +G 89 0A 61 -2,-0.4 24,-0.3 24,-0.2 -20,-0.0 -0.696 41.3 160.5 -80.7 118.7 43.9 28.0 -3.4 66 98 A I E S+ 0 0 10 22,-2.6 23,-0.2 -2,-0.6 76,-0.2 0.564 72.6 17.4-116.3 -16.7 44.7 31.1 -1.3 67 99 A Y E > +G 88 0A 35 21,-1.7 21,-1.4 1,-0.1 3,-1.3 -0.458 63.8 165.3-155.1 74.6 48.3 31.8 -1.9 68 100 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 21,-0.0 0.773 74.2 54.8 -67.2 -27.7 49.5 30.1 -5.1 69 101 A D T 3 S+ 0 0 117 17,-0.1 2,-0.3 18,-0.1 17,-0.1 0.263 73.6 132.1 -91.8 9.1 52.7 32.0 -5.5 70 102 A F < + 0 0 12 -3,-1.3 16,-3.0 16,-0.1 2,-0.3 -0.397 21.8 154.2 -74.9 131.7 54.2 31.2 -2.1 71 103 A R E +I 85 0C 134 -2,-0.3 2,-0.3 14,-0.3 14,-0.2 -0.943 11.8 158.6-152.4 123.4 57.7 30.1 -2.3 72 104 A A E -I 84 0C 18 12,-1.9 12,-4.6 -2,-0.3 2,-0.4 -0.975 34.1-138.9-149.7 167.5 60.3 30.4 0.4 73 105 A R E +I 83 0C 153 -2,-0.3 2,-0.3 10,-0.3 10,-0.3 -0.960 29.7 168.6-116.7 139.3 63.6 29.3 1.9 74 106 A A E -I 82 0C 17 8,-2.6 8,-2.2 -2,-0.4 2,-0.4 -0.986 25.8-139.5-150.8 152.7 63.9 29.0 5.7 75 107 A T E -I 81 0C 87 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.958 22.3-136.0-119.8 134.5 66.4 27.5 8.0 76 108 A D > - 0 0 9 4,-1.7 3,-2.8 -2,-0.4 -51,-0.0 -0.232 34.9 -89.9 -88.0 169.3 65.3 25.5 11.1 77 109 A P T 3 S+ 0 0 113 0, 0.0 -52,-0.0 0, 0.0 -1,-0.0 0.702 130.1 45.8 -59.3 -18.2 66.7 25.7 14.7 78 110 A S T 3 S- 0 0 100 2,-0.1 -53,-0.0 0, 0.0 -3,-0.0 0.323 123.7-102.3-101.7 3.0 69.2 23.0 13.8 79 111 A G < + 0 0 41 -3,-2.8 2,-0.1 1,-0.3 -54,-0.1 0.450 64.6 155.9 91.2 -0.9 70.2 24.5 10.5 80 112 A I - 0 0 34 -56,-0.1 -4,-1.7 1,-0.1 2,-0.4 -0.405 36.5-140.7 -57.9 127.5 68.2 22.2 8.1 81 113 A V E -I 75 0C 102 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.745 21.4-176.3 -94.2 140.9 67.8 24.3 5.0 82 114 A E E +I 74 0C 67 -8,-2.2 -8,-2.6 -2,-0.4 2,-0.5 -0.967 8.7 179.6-139.5 124.2 64.5 24.2 3.2 83 115 A N E +I 73 0C 89 -2,-0.4 2,-0.4 -10,-0.3 -10,-0.3 -0.974 23.5 178.6-120.8 114.6 63.7 25.9 -0.1 84 116 A E E -I 72 0C 36 -12,-4.6 -12,-1.9 -2,-0.5 2,-0.7 -0.948 43.3-145.1-136.7 147.1 60.2 25.3 -1.3 85 117 A V E +I 71 0C 71 -2,-0.4 -83,-2.8 -14,-0.2 -14,-0.3 -0.919 43.3 171.7 -83.0 109.0 57.6 26.0 -4.0 86 118 A C - 0 0 11 -16,-3.0 -83,-0.2 -2,-0.7 -16,-0.1 -0.553 20.5-167.2-140.8 80.3 54.7 25.9 -1.6 87 119 A P - 0 0 14 0, 0.0 -83,-2.1 0, 0.0 2,-0.3 -0.438 23.3-133.5 -61.5 142.5 51.2 26.9 -2.8 88 120 A V E -bG 4 67A 0 -21,-1.4 -22,-2.6 -85,-0.2 -21,-1.7 -0.781 23.1-176.8-107.5 139.8 48.8 27.4 0.1 89 121 A F E -bG 5 65A 7 -85,-2.4 -83,-2.1 -2,-0.3 2,-0.4 -0.874 12.9-151.3-128.4 161.3 45.3 26.1 0.5 90 122 A A E +bG 6 64A 0 -26,-2.1 -26,-3.3 -2,-0.3 2,-0.3 -0.985 22.4 159.9-130.8 146.4 42.4 26.4 2.9 91 123 A A E -b 7 0A 0 -85,-2.0 -83,-2.1 -2,-0.4 2,-0.4 -0.960 34.0-116.2-151.2 171.3 39.6 23.9 3.6 92 124 A R E -b 8 0A 21 -2,-0.3 -31,-1.9 -85,-0.2 -83,-0.2 -0.914 30.3-120.4-108.7 140.9 37.0 22.9 6.1 93 125 A T B -H 60 0B 18 -85,-2.5 -33,-0.3 -2,-0.4 -83,-0.2 -0.532 20.7-171.7 -75.0 149.1 37.1 19.5 7.9 94 126 A T + 0 0 91 -35,-2.8 2,-0.3 -2,-0.1 -34,-0.2 0.187 68.3 32.7-122.9 6.3 34.0 17.4 7.4 95 127 A S S S- 0 0 51 -36,-0.8 2,-0.1 0, 0.0 -37,-0.0 -0.943 96.0 -72.4-150.1 174.9 34.8 14.7 10.0 96 128 A A - 0 0 83 -2,-0.3 -37,-0.1 1,-0.1 -2,-0.1 -0.402 51.0-105.5 -73.0 147.4 36.5 14.2 13.3 97 129 A L - 0 0 30 -39,-0.1 2,-0.4 -2,-0.1 -40,-0.2 -0.410 27.5-169.0 -61.1 143.3 40.3 14.4 13.6 98 130 A Q - 0 0 156 -42,-2.5 2,-0.2 -45,-0.1 -40,-0.1 -0.905 27.1-135.9-131.3 106.4 42.1 11.1 14.2 99 131 A I - 0 0 60 -2,-0.4 2,-0.8 -42,-0.1 -43,-0.2 -0.425 11.4-150.5 -79.5 132.4 45.6 12.1 15.1 100 132 A N >> - 0 0 31 -45,-2.2 4,-2.3 -2,-0.2 3,-2.0 -0.853 9.8-163.3 -89.3 105.1 48.7 10.5 13.7 101 133 A D T 34 S+ 0 0 122 -2,-0.8 -1,-0.1 1,-0.3 -46,-0.1 0.539 83.1 71.4 -77.4 1.0 51.3 10.9 16.5 102 134 A D T 34 S+ 0 0 95 1,-0.1 -1,-0.3 -82,-0.1 3,-0.1 0.674 117.7 22.0 -72.2 -20.7 54.2 10.2 14.2 103 135 A E T <4 S+ 0 0 23 -3,-2.0 -83,-2.6 1,-0.3 2,-0.4 0.732 126.2 41.3-114.5 -35.8 53.4 13.6 12.7 104 136 A V E < +D 19 0A 3 -4,-2.3 -1,-0.3 -85,-0.3 -85,-0.2 -0.978 43.4 176.9-128.5 125.1 51.5 15.6 15.2 105 137 A M E S- 0 0 69 -87,-2.5 2,-0.3 -2,-0.4 -86,-0.1 0.547 74.5 -3.2-103.4 -8.3 52.2 15.8 18.9 106 138 A D E -D 18 0A 75 -88,-0.8 -88,-2.7 2,-0.0 2,-0.3 -0.955 59.4-174.2-170.4 161.7 49.5 18.4 19.8 107 139 A Y E -D 17 0A 86 -2,-0.3 2,-0.3 -90,-0.3 -90,-0.2 -0.975 7.3-154.8-159.0 165.5 46.8 20.6 18.2 108 140 A Q E -D 16 0A 107 -92,-2.5 -92,-2.7 -2,-0.3 2,-0.5 -0.988 16.2-138.5-148.1 139.0 44.4 23.3 19.1 109 141 A W E +D 15 0A 66 -2,-0.3 2,-0.3 -94,-0.2 -94,-0.2 -0.884 45.6 168.6 -89.9 126.6 41.1 24.6 17.7 110 142 A C E -D 14 0A 25 -96,-2.6 -96,-2.7 -2,-0.5 2,-0.5 -0.858 43.6 -95.7-138.2 164.3 41.4 28.4 17.9 111 143 A D >> - 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0 0 0 -97,-2.7 4,-2.3 -2,-0.3 5,-0.2 -0.294 40.3-123.3 -64.0 144.6 57.1 27.9 12.2 128 160 A P H > S+ 0 0 34 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.884 109.3 52.8 -62.0 -32.5 58.5 30.5 9.8 129 161 A W H > S+ 0 0 30 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.923 105.7 53.7 -72.5 -35.8 56.2 29.3 6.9 130 162 A M H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.951 114.0 44.2 -55.6 -43.3 53.1 29.7 9.0 131 163 A V H X S+ 0 0 22 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.975 113.4 47.3 -69.7 -47.4 54.2 33.2 9.7 132 164 A M H X S+ 0 0 66 -4,-3.0 4,-0.6 1,-0.2 3,-0.3 0.900 114.4 49.1 -63.2 -36.5 55.2 34.1 6.2 133 165 A Q H >< S+ 0 0 1 -4,-3.1 3,-0.9 -5,-0.3 -1,-0.2 0.945 111.7 47.3 -67.8 -38.8 51.9 32.7 4.8 134 166 A A H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.649 105.3 59.0 -79.6 -11.5 49.7 34.5 7.3 135 167 A T H 3< S+ 0 0 63 -4,-1.3 2,-0.5 -3,-0.3 -1,-0.2 0.583 78.0 104.0 -97.9 -1.4 51.3 37.8 6.8 136 168 A N S S+ 0 0 205 -2,-0.5 4,-1.9 1,-0.2 -1,-0.1 0.850 97.1 44.1 -53.2 -44.8 47.6 40.3 2.8 138 170 A E H > S+ 0 0 120 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.925 114.6 48.5 -72.0 -42.8 45.6 38.3 0.2 139 171 A A H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.928 109.9 53.8 -60.8 -41.2 46.1 35.0 2.0 140 172 A R H X S+ 0 0 55 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.903 105.2 52.7 -61.8 -41.5 45.1 36.5 5.3 141 173 A K H X S+ 0 0 135 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.874 108.3 51.7 -62.2 -35.0 41.8 37.8 3.8 142 174 A R H X S+ 0 0 93 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.918 106.8 52.8 -66.8 -42.4 41.1 34.3 2.6 143 175 A L H >< S+ 0 0 1 -4,-2.3 3,-0.9 1,-0.2 4,-0.3 0.949 106.9 53.6 -57.4 -44.4 41.7 32.8 6.1 144 176 A S H >< S+ 0 0 58 -4,-2.4 3,-1.5 1,-0.3 4,-0.3 0.858 101.8 58.7 -58.0 -36.5 39.2 35.4 7.4 145 177 A A H >< S+ 0 0 41 -4,-1.5 3,-1.1 1,-0.3 -1,-0.3 0.846 100.3 57.7 -61.1 -30.3 36.6 34.1 4.9 146 178 A F T << S+ 0 0 20 -4,-1.3 -1,-0.3 -3,-0.9 -2,-0.2 0.493 88.9 74.3 -81.2 -0.7 36.9 30.6 6.4 147 179 A T T < S+ 0 0 57 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.619 71.1 111.5 -85.8 -12.0 36.0 31.9 9.9 148 180 A Q S < S- 0 0 118 -3,-1.1 2,-0.3 -4,-0.3 -136,-0.1 -0.368 80.0-108.4 -60.7 140.0 32.4 32.2 8.8 149 181 A L - 0 0 96 -138,-0.1 2,-0.6 -137,-0.1 -138,-0.2 -0.538 32.4-157.2 -62.7 126.8 30.0 29.8 10.5 150 182 A K 0 0 113 -140,-2.9 -138,-0.1 1,-0.3 -1,-0.0 -0.952 360.0 360.0-113.9 114.2 28.8 27.2 7.9 151 183 A L 0 0 222 -2,-0.6 -1,-0.3 -140,-0.1 -141,-0.1 0.911 360.0 360.0 -94.9 360.0 25.5 25.4 8.7