==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-NOV-10 3PN5 . COMPND 2 MOLECULE: PEPTIDE DEFORMYLASE 1B, CHLOROPLASTIC; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR S.FIEULAINE,T.MEINNEL,C.GIGLIONE . 181 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 18.2 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 14 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 0 0 0 0 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 2 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 . 2 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 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 1 A M 0 0 152 0, 0.0 2,-0.3 0, 0.0 49,-0.1 0.000 360.0 360.0 360.0 155.2 -3.4 10.2 25.1 2 2 A E - 0 0 131 47,-0.4 2,-0.6 2,-0.0 33,-0.0 -0.989 360.0-121.5-157.6 148.9 -7.0 10.7 23.8 3 3 A I - 0 0 34 -2,-0.3 2,-0.3 46,-0.1 46,-0.2 -0.867 32.2-135.0 -90.8 119.0 -10.4 9.0 23.5 4 4 A V - 0 0 2 44,-3.0 2,-0.3 -2,-0.6 46,-0.1 -0.604 25.1-155.8 -77.0 136.7 -11.5 8.7 19.9 5 5 A E > - 0 0 72 -2,-0.3 3,-2.6 1,-0.1 89,-0.2 -0.742 26.8 -50.3-114.6 160.0 -15.2 9.7 19.4 6 6 A Y T 3 S+ 0 0 5 87,-1.7 -1,-0.1 1,-0.4 160,-0.0 -0.431 117.0 24.6 -75.9 139.3 -17.9 8.9 16.9 7 7 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.4 0, 0.0 169,-0.1 -0.919 83.4 127.9-102.1 37.8 -17.8 9.1 14.1 8 8 A D X - 0 0 42 -3,-2.6 3,-0.7 1,-0.2 4,-0.3 0.038 60.8-129.0 -44.3 126.8 -13.9 8.7 13.8 9 9 A P G >> S+ 0 0 58 0, 0.0 3,-1.4 0, 0.0 4,-0.9 0.773 101.3 70.6 -56.8 -18.4 -13.0 6.0 11.4 10 10 A I G >4 S+ 0 0 48 1,-0.2 3,-1.1 2,-0.2 38,-0.1 0.954 91.8 63.4 -64.9 -39.3 -10.5 4.1 13.9 11 11 A L G <4 S+ 0 0 0 -3,-0.7 -1,-0.2 1,-0.3 37,-0.1 0.578 112.3 34.5 -48.6 -20.4 -13.7 3.0 16.0 12 12 A R G <4 S+ 0 0 72 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.510 97.3 109.0-118.2 -6.0 -14.9 1.0 13.0 13 13 A A S << S- 0 0 37 -3,-1.1 2,-0.3 -4,-0.9 127,-0.1 -0.216 80.5 -88.4 -72.1 162.9 -11.6 -0.3 11.5 14 14 A K - 0 0 92 125,-0.1 2,-0.6 126,-0.1 -1,-0.1 -0.546 41.3-138.1 -69.6 133.5 -10.3 -3.7 11.6 15 15 A N - 0 0 18 123,-0.5 38,-0.3 -2,-0.3 2,-0.2 -0.909 15.5-133.3-107.7 117.9 -8.4 -4.4 14.7 16 16 A K B -a 53 0A 163 36,-1.9 38,-2.1 -2,-0.6 58,-0.1 -0.394 19.5-114.4 -74.2 133.5 -5.2 -6.3 14.3 17 17 A R - 0 0 63 36,-0.2 2,-0.3 -2,-0.2 -1,-0.1 -0.191 28.9-122.8 -59.4 153.0 -4.3 -9.2 16.5 18 18 A I + 0 0 18 36,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.881 37.7 157.3-108.3 153.6 -1.3 -8.9 18.8 19 19 A D + 0 0 135 -2,-0.3 2,-1.4 1,-0.1 -1,-0.1 0.319 56.3 81.0-140.0 -40.9 1.8 -11.3 18.9 20 20 A I - 0 0 106 1,-0.0 2,-1.1 2,-0.0 5,-0.1 -0.725 53.7-176.3 -86.5 97.1 4.7 -9.3 20.5 21 21 A F + 0 0 72 -2,-1.4 2,-0.2 94,-0.2 -1,-0.0 -0.845 37.2 127.4 -84.8 97.2 4.0 -9.6 24.1 22 22 A D S >> S- 0 0 52 -2,-1.1 3,-1.4 1,-0.0 4,-1.4 -0.747 79.9 -62.8-143.2-173.7 7.0 -7.4 25.3 23 23 A E H 3> S+ 0 0 132 1,-0.2 4,-1.8 -2,-0.2 3,-0.3 0.896 129.6 54.4 -41.2 -41.8 7.9 -4.4 27.3 24 24 A N H 3> S+ 0 0 104 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.618 100.7 53.7 -78.1 -23.5 5.6 -2.2 24.9 25 25 A L H <> S+ 0 0 12 -3,-1.4 4,-1.2 2,-0.2 -1,-0.2 0.905 113.2 48.9 -68.9 -39.7 2.3 -4.2 25.2 26 26 A K H X S+ 0 0 96 -4,-1.4 4,-2.7 -3,-0.3 -2,-0.2 0.851 108.6 48.6 -66.0 -56.5 2.7 -3.7 28.9 27 27 A N H X S+ 0 0 75 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.879 113.2 50.2 -51.2 -47.7 3.4 -0.0 28.9 28 28 A L H X S+ 0 0 42 -4,-1.1 4,-1.1 2,-0.2 -2,-0.3 0.803 110.2 49.8 -64.8 -36.9 0.4 0.3 26.6 29 29 A V H X S+ 0 0 8 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.916 109.8 51.9 -70.1 -39.2 -1.7 -1.8 29.1 30 30 A D H X S+ 0 0 91 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.920 112.4 43.1 -58.0 -49.1 -0.6 0.4 31.9 31 31 A A H X S+ 0 0 30 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.626 111.3 55.3 -77.8 -20.9 -1.6 3.6 30.1 32 32 A M H X S+ 0 0 0 -4,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.793 109.5 48.4 -80.0 -31.8 -4.8 2.1 29.0 33 33 A F H X S+ 0 0 11 -4,-1.8 4,-3.4 2,-0.2 5,-0.3 0.927 108.0 51.5 -72.2 -50.6 -5.7 1.3 32.6 34 34 A D H X S+ 0 0 85 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.815 110.5 50.2 -60.9 -27.2 -4.8 4.7 33.9 35 35 A V H X S+ 0 0 21 -4,-0.7 4,-1.4 2,-0.2 -1,-0.2 0.910 109.9 51.4 -71.6 -39.0 -7.1 6.2 31.2 36 36 A M H <>S+ 0 0 0 -4,-1.5 5,-4.1 2,-0.2 -2,-0.2 0.859 114.3 43.2 -59.3 -43.9 -9.8 3.7 32.3 37 37 A Y H ><5S+ 0 0 42 -4,-3.4 3,-2.0 3,-0.2 -2,-0.2 0.933 110.2 55.0 -71.5 -43.1 -9.2 4.9 35.9 38 38 A K H 3<5S+ 0 0 182 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.776 115.1 41.4 -61.4 -23.4 -9.1 8.6 34.8 39 39 A T T 3<5S- 0 0 46 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.026 113.6-115.5-113.7 21.8 -12.5 8.2 33.1 40 40 A D T < 5 + 0 0 110 -3,-2.0 2,-0.2 1,-0.2 -3,-0.2 0.889 62.5 157.2 49.6 47.4 -14.1 6.1 35.9 41 41 A Q < - 0 0 21 -5,-4.1 -1,-0.2 -8,-0.2 3,-0.1 -0.685 47.7-152.3-108.4 158.0 -14.4 3.2 33.5 42 42 A I S S+ 0 0 20 1,-0.3 17,-2.1 -2,-0.2 2,-0.3 0.567 84.9 1.2 -98.5 -11.8 -14.7 -0.6 34.2 43 43 A G E -B 58 0B 0 15,-0.2 -1,-0.3 -7,-0.1 2,-0.3 -0.974 61.0-167.6-164.4 164.4 -13.1 -1.5 30.8 44 44 A L E -B 57 0B 0 13,-2.4 13,-2.2 -2,-0.3 2,-0.1 -0.804 12.0-141.4-171.4 127.5 -11.6 0.1 27.7 45 45 A S E -B 56 0B 0 -2,-0.3 4,-0.5 11,-0.2 3,-0.2 -0.342 25.2-118.0 -82.4 157.8 -10.5 -1.1 24.2 46 46 A A S > >S+ 0 0 0 9,-1.5 3,-2.1 7,-0.4 5,-1.7 0.930 110.7 59.8 -68.1 -46.6 -7.5 -0.1 22.2 47 47 A P G > 5S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.879 98.9 63.0 -51.3 -28.1 -9.6 1.5 19.2 48 48 A Q G 3 5S+ 0 0 0 1,-0.3 -44,-3.0 -3,-0.2 -2,-0.2 0.737 105.9 42.1 -72.3 -22.2 -11.0 3.8 21.8 49 49 A V G < 5S- 0 0 14 -3,-2.1 -47,-0.4 -4,-0.5 -1,-0.3 0.177 129.8 -89.6-110.2 18.2 -7.7 5.3 22.5 50 50 A G T < 5S+ 0 0 25 -3,-1.6 2,-0.5 -4,-0.4 -2,-0.1 0.272 92.3 110.5 106.4 -13.7 -6.6 5.5 18.9 51 51 A L < - 0 0 88 -5,-1.7 2,-1.2 -6,-0.1 -2,-0.3 -0.847 56.8-146.0-106.2 136.7 -4.9 2.1 18.4 52 52 A N + 0 0 38 -2,-0.5 -36,-1.9 -5,-0.1 2,-0.3 -0.636 54.4 109.5-101.3 74.4 -6.5 -0.4 16.2 53 53 A V B S-a 16 0A 34 -2,-1.2 2,-1.9 -38,-0.3 -7,-0.4 -0.960 78.9 -91.9-146.0 164.9 -5.6 -3.8 17.8 54 54 A Q S S+ 0 0 19 -38,-2.1 20,-3.2 -2,-0.3 2,-0.4 -0.424 75.2 127.3 -74.9 62.8 -7.2 -6.7 19.7 55 55 A L E - C 0 73B 1 -2,-1.9 -9,-1.5 18,-0.2 2,-0.4 -0.975 31.6-179.7-130.7 137.7 -6.5 -5.4 23.4 56 56 A M E -BC 45 72B 0 16,-0.8 16,-2.4 -2,-0.4 2,-0.5 -0.993 11.5-161.4-135.5 124.3 -8.8 -4.9 26.4 57 57 A V E +BC 44 71B 0 -13,-2.2 -13,-2.4 -2,-0.4 2,-0.3 -0.921 26.1 172.5 -98.2 144.3 -8.0 -3.5 29.9 58 58 A F E +BC 43 70B 9 12,-2.5 12,-2.3 -2,-0.5 -15,-0.2 -0.948 26.6 173.6-148.0 150.3 -10.6 -4.5 32.4 59 59 A N > - 0 0 1 -17,-2.1 3,-1.3 -2,-0.3 10,-0.1 -0.707 21.9-150.9-157.9 116.9 -11.4 -4.3 36.2 60 60 A P T 3 S+ 0 0 53 0, 0.0 7,-0.1 0, 0.0 9,-0.1 0.707 98.3 59.7 -61.5 -26.9 -14.9 -5.4 37.4 61 61 A A T 3 S- 0 0 32 5,-0.3 6,-0.1 7,-0.2 -19,-0.1 0.672 90.0-151.6 -76.4 -23.2 -14.6 -3.1 40.3 62 62 A G < + 0 0 4 -3,-1.3 -19,-0.1 -20,-0.3 5,-0.1 0.651 62.1 104.5 58.0 20.5 -14.2 -0.1 38.0 63 63 A E S > S- 0 0 71 3,-0.3 3,-0.8 -21,-0.1 2,-0.2 -0.982 84.1 -93.3-140.4 144.0 -12.2 1.4 40.8 64 64 A P T 3 S- 0 0 92 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.193 109.5 -3.8 -54.7 109.8 -8.7 2.2 42.1 65 65 A G T 3 S+ 0 0 76 1,-0.3 2,-0.3 -2,-0.2 3,-0.0 0.957 108.7 101.4 70.2 57.3 -7.5 -0.7 44.1 66 66 A E S < S+ 0 0 116 -3,-0.8 -5,-0.3 0, 0.0 -3,-0.3 -0.935 76.5 2.7-166.8 137.6 -10.6 -2.9 44.2 67 67 A G S S- 0 0 64 -2,-0.3 2,-0.4 -6,-0.1 -8,-0.0 -0.399 99.5 -62.0 71.2-146.4 -11.4 -6.1 42.0 68 68 A K - 0 0 130 -2,-0.1 2,-0.8 -3,-0.0 -7,-0.2 -0.997 35.3-119.4-146.2 142.3 -8.6 -7.2 39.7 69 69 A E - 0 0 109 -2,-0.4 2,-0.4 -10,-0.1 -10,-0.2 -0.776 39.2-178.7 -87.3 112.5 -6.8 -5.8 36.8 70 70 A I E -C 58 0B 18 -12,-2.3 -12,-2.5 -2,-0.8 2,-0.4 -0.920 14.6-161.3-115.6 138.0 -7.3 -8.1 33.9 71 71 A V E -C 57 0B 21 -2,-0.4 2,-0.4 -14,-0.2 -14,-0.2 -0.925 0.6-164.6-116.9 141.2 -6.0 -7.8 30.4 72 72 A L E -C 56 0B 0 -16,-2.4 -16,-0.8 -2,-0.4 2,-0.6 -0.847 5.2-172.7-131.9 90.7 -7.6 -9.6 27.5 73 73 A V E S-CD 55 112B 0 39,-3.4 39,-1.2 -2,-0.4 -18,-0.2 -0.794 79.2 -2.3 -84.8 119.2 -5.3 -9.7 24.4 74 74 A N E S- 0 0 29 -20,-3.2 -1,-0.3 -2,-0.6 -19,-0.1 0.944 90.6-166.0 69.2 49.0 -7.2 -11.1 21.5 75 75 A P E - 0 0 0 0, 0.0 2,-0.3 0, 0.0 36,-0.2 -0.351 12.6-176.7 -68.0 148.6 -10.5 -11.8 23.4 76 76 A K E - D 0 110B 86 34,-2.0 34,-2.0 -2,-0.0 2,-0.6 -0.921 24.1-132.9-147.4 124.3 -13.2 -14.0 21.9 77 77 A I E - D 0 109B 17 -2,-0.3 32,-0.3 32,-0.2 3,-0.1 -0.623 21.4-177.6 -77.6 121.2 -16.5 -14.6 23.6 78 78 A K E + 0 0 132 30,-3.5 2,-0.3 -2,-0.6 31,-0.2 0.702 67.8 26.1 -96.6 -20.6 -17.1 -18.3 23.5 79 79 A K E - D 0 108B 89 29,-1.5 29,-2.8 2,-0.0 2,-0.4 -0.979 55.5-171.8-150.3 127.1 -20.6 -18.3 25.1 80 80 A Y E - D 0 107B 100 -2,-0.3 27,-0.2 27,-0.2 25,-0.1 -0.972 35.2-114.8-108.7 135.8 -23.4 -15.7 25.4 81 81 A S - 0 0 23 25,-2.4 24,-0.0 -2,-0.4 -2,-0.0 -0.290 9.2-129.3 -71.8 152.5 -26.3 -16.6 27.7 82 82 A D S S+ 0 0 167 22,-0.1 -1,-0.1 2,-0.0 23,-0.0 0.981 92.0 79.1 -63.8 -57.8 -29.9 -17.2 26.5 83 83 A K - 0 0 142 21,-0.1 22,-2.2 1,-0.0 2,-0.3 -0.193 67.0-176.9 -50.5 134.0 -31.3 -14.7 29.2 84 84 A L E -F 104 0C 100 20,-0.3 18,-0.1 21,-0.1 -2,-0.0 -0.974 4.0-160.6-132.6 157.1 -30.8 -11.1 28.0 85 85 A V E -F 103 0C 45 18,-2.5 18,-1.5 -2,-0.3 16,-0.1 -0.987 17.9-114.9-147.0 148.9 -31.5 -7.7 29.7 86 86 A P + 0 0 72 0, 0.0 2,-0.2 0, 0.0 16,-0.2 -0.088 33.4 164.5 -56.2 164.7 -32.1 -4.0 29.3 87 87 A F - 0 0 86 2,-0.0 2,-2.1 14,-0.0 14,-1.6 -0.619 47.5-110.4 174.0 132.6 -29.8 -1.3 30.7 88 88 A D E -G 100 0D 105 12,-0.2 12,-0.3 -2,-0.2 2,-0.0 -0.509 52.5-162.4 -66.2 80.7 -29.4 2.5 30.0 89 89 A E E -G 99 0D 4 -2,-2.1 10,-2.1 10,-1.3 2,-0.3 -0.327 13.2-173.2 -75.9 153.0 -26.0 2.0 28.3 90 90 A G E -G 98 0D 25 8,-0.2 2,-0.3 -2,-0.0 8,-0.2 -0.877 7.2-153.6-138.8 166.9 -23.3 4.8 27.6 91 91 A C E > -G 94 0D 11 6,-0.7 3,-1.7 3,-0.6 6,-0.3 -0.966 25.8-132.4-155.8 135.4 -20.0 5.1 25.8 92 92 A L T 3 S+ 0 0 42 -2,-0.3 -89,-0.1 1,-0.3 -1,-0.1 0.463 110.6 58.1 -60.0 -6.4 -16.9 7.3 26.0 93 93 A S T 3 S+ 0 0 0 1,-0.3 -87,-1.7 -88,-0.1 -1,-0.3 0.684 109.1 42.5 -96.9 -24.3 -17.2 7.8 22.2 94 94 A F E X S-G 91 0D 1 -3,-1.7 3,-2.1 -89,-0.2 -3,-0.6 -0.749 88.6-159.6-117.7 72.9 -20.7 9.3 22.5 95 95 A P E 3 S+ 0 0 69 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.386 76.5 9.4 -64.2 134.1 -20.2 11.6 25.5 96 96 A G E 3 S+ 0 0 65 1,-0.2 2,-0.8 -2,-0.0 -4,-0.1 0.335 100.0 121.6 83.3 -5.4 -23.6 12.5 27.2 97 97 A I E < + 0 0 10 -3,-2.1 -6,-0.7 -6,-0.3 2,-0.4 -0.857 31.0 161.9-103.6 115.8 -25.4 9.9 25.0 98 98 A Y E +G 90 0D 147 -2,-0.8 2,-0.3 -8,-0.2 -8,-0.2 -0.987 3.0 152.1-130.8 132.8 -27.2 7.3 26.9 99 99 A A E -G 89 0D 6 -10,-2.1 -10,-1.3 -2,-0.4 2,-0.2 -0.975 46.1 -79.7-155.7 167.5 -30.0 5.0 25.7 100 100 A E E +G 88 0D 99 -2,-0.3 2,-0.3 -12,-0.3 48,-0.3 -0.475 44.7 174.9 -82.5 144.5 -31.4 1.6 26.4 101 101 A V - 0 0 3 -14,-1.6 2,-0.5 -2,-0.2 46,-0.1 -0.993 23.2-139.4-148.7 140.9 -29.8 -1.7 25.0 102 102 A V + 0 0 71 44,-0.6 -15,-0.0 -2,-0.3 -18,-0.0 -0.912 30.5 159.5-106.2 125.4 -30.3 -5.5 25.4 103 103 A R E -F 85 0C 8 -18,-1.5 -18,-2.5 -2,-0.5 26,-0.1 -0.966 50.0 -82.3-140.8 148.6 -27.3 -7.8 25.7 104 104 A P E -F 84 0C 24 0, 0.0 -20,-0.3 0, 0.0 -21,-0.1 -0.334 38.5-128.6 -60.0 139.9 -27.1 -11.3 27.1 105 105 A Q S S+ 0 0 68 -22,-2.2 2,-0.2 -25,-0.1 23,-0.1 0.930 85.4 22.4 -56.5 -59.1 -26.8 -11.3 30.9 106 106 A S - 0 0 30 -23,-0.3 -25,-2.4 18,-0.2 2,-0.3 -0.698 67.6-165.6-112.2 162.9 -23.7 -13.6 31.3 107 107 A V E -DE 80 123B 0 16,-2.0 16,-1.8 -27,-0.2 2,-0.5 -0.987 15.6-140.2-150.0 148.6 -20.7 -14.4 28.9 108 108 A K E -DE 79 122B 57 -29,-2.8 -30,-3.5 -2,-0.3 -29,-1.5 -0.968 30.8-172.9-114.0 125.4 -17.7 -17.1 28.6 109 109 A I E -DE 77 121B 0 12,-2.9 12,-1.9 -2,-0.5 2,-0.3 -0.922 20.0-166.8-132.3 141.8 -14.5 -15.6 27.3 110 110 A D E +DE 76 120B 55 -34,-2.0 -34,-2.0 -2,-0.4 2,-0.3 -0.861 28.1 137.6-114.6 153.9 -11.1 -16.8 26.3 111 111 A A E - E 0 119B 5 8,-2.2 8,-1.5 -2,-0.3 2,-0.4 -0.963 45.6 -94.7-175.4-176.8 -8.2 -14.6 25.8 112 112 A R E -DE 73 118B 92 -39,-1.2 -39,-3.4 -2,-0.3 6,-0.2 -0.942 30.3-132.1-123.0 147.4 -4.6 -14.1 26.4 113 113 A D > - 0 0 38 4,-2.7 3,-2.2 -2,-0.4 -41,-0.1 -0.210 42.6 -82.5 -89.5-178.9 -2.8 -12.4 29.2 114 114 A I T 3 S+ 0 0 31 1,-0.3 -88,-0.1 2,-0.2 -89,-0.1 0.608 134.5 49.4 -61.2 -13.9 0.0 -9.9 29.2 115 115 A T T 3 S- 0 0 71 2,-0.1 -1,-0.3 -94,-0.0 -94,-0.2 0.570 122.1-109.9-100.6 -10.8 2.4 -12.7 28.8 116 116 A G < + 0 0 13 -3,-2.2 2,-0.2 1,-0.3 -2,-0.2 0.540 69.0 146.9 92.8 13.1 0.3 -14.2 26.0 117 117 A E - 0 0 134 1,-0.1 -4,-2.7 -5,-0.0 2,-0.7 -0.551 50.4-115.9 -80.0 150.7 -0.9 -17.2 28.2 118 118 A R E +E 112 0B 198 -6,-0.2 2,-0.2 -2,-0.2 -6,-0.2 -0.772 42.6 163.3 -99.3 108.8 -4.4 -18.4 27.4 119 119 A F E -E 111 0B 52 -8,-1.5 -8,-2.2 -2,-0.7 2,-0.2 -0.719 22.9-141.3-118.9 173.9 -7.0 -18.1 30.1 120 120 A S E +E 110 0B 55 -2,-0.2 2,-0.3 -10,-0.2 -10,-0.2 -0.696 18.0 176.3-121.9 162.0 -10.8 -18.2 30.3 121 121 A I E -E 109 0B 44 -12,-1.9 -12,-2.9 -2,-0.2 2,-0.4 -0.803 17.6-149.1-176.3 147.1 -13.5 -16.3 32.3 122 122 A S E +E 108 0B 69 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.836 18.2 179.8-112.1 147.5 -17.1 -15.9 32.9 123 123 A L E +E 107 0B 27 -16,-1.8 -16,-2.0 -2,-0.4 2,-0.2 -0.942 7.1 177.1-143.4 160.7 -18.9 -12.8 34.0 124 124 A S > + 0 0 53 -2,-0.3 4,-1.8 -18,-0.2 5,-0.3 -0.731 51.4 27.8-143.9-169.2 -22.4 -11.6 34.7 125 125 A R H >> S- 0 0 224 -2,-0.2 3,-1.4 1,-0.2 4,-1.2 0.179 122.3 -17.5 36.2-157.5 -24.2 -8.4 35.9 126 126 A L H >> S+ 0 0 80 1,-0.3 4,-2.8 2,-0.2 3,-1.0 0.848 135.2 57.6 -41.9 -51.1 -22.5 -5.0 35.1 127 127 A P H 3> S+ 0 0 31 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.903 107.9 46.5 -57.3 -35.9 -18.9 -6.5 34.3 128 128 A A H <>S+ 0 0 2 -4,-1.6 5,-3.3 -3,-0.2 3,-0.6 0.794 102.9 60.3 -69.0 -32.2 -18.0 -4.7 20.2 137 137 A H H ><5S+ 0 0 1 -4,-1.0 3,-3.2 1,-0.2 -2,-0.2 0.991 99.2 53.3 -59.7 -56.7 -15.5 -2.0 20.1 138 138 A L T 3<5S+ 0 0 4 -4,-1.6 -123,-0.5 1,-0.3 -1,-0.2 0.711 113.1 49.6 -48.2 -17.2 -12.7 -4.6 19.2 139 139 A E T < 5S- 0 0 94 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.185 118.5-107.9-113.4 13.7 -15.1 -5.6 16.4 140 140 A G T < 5S+ 0 0 10 -3,-3.2 2,-0.5 1,-0.3 -3,-0.2 0.768 77.7 133.8 69.9 20.0 -15.9 -2.1 14.9 141 141 A V < - 0 0 30 -5,-3.3 2,-0.4 -8,-0.1 -1,-0.3 -0.926 41.4-158.9-107.2 128.6 -19.5 -2.3 16.4 142 142 A L > - 0 0 0 -2,-0.5 3,-3.6 -3,-0.1 4,-0.3 -0.915 30.9-111.7-109.8 139.7 -20.8 0.8 18.3 143 143 A F G > S+ 0 0 3 -2,-0.4 3,-1.2 1,-0.3 4,-0.1 0.609 112.6 65.3 -54.5 -23.5 -23.6 0.3 20.8 144 144 A F G > S+ 0 0 11 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.806 90.9 66.6 -71.5 -20.0 -26.3 2.2 18.8 145 145 A D G < S+ 0 0 75 -3,-3.6 -1,-0.3 1,-0.3 -2,-0.2 0.808 101.8 49.8 -59.7 -29.6 -25.9 -0.7 16.3 146 146 A R G < S+ 0 0 116 -3,-1.2 -44,-0.6 -4,-0.3 2,-0.3 0.257 93.5 100.4 -91.5 3.2 -27.4 -2.8 19.2 147 147 A M S < S- 0 0 18 -3,-1.6 -46,-0.1 -46,-0.1 -3,-0.0 -0.684 77.7-112.2 -94.3 145.7 -30.4 -0.4 19.8 148 148 A T > - 0 0 92 -2,-0.3 4,-2.3 -48,-0.3 5,-0.1 -0.209 37.8-103.4 -62.4 169.5 -33.9 -1.0 18.5 149 149 A D H > S+ 0 0 118 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.701 120.9 50.9 -70.7 -22.3 -35.0 1.5 15.8 150 150 A Q H > S+ 0 0 148 2,-0.2 4,-0.7 3,-0.1 -1,-0.2 0.884 112.8 44.7 -82.1 -42.7 -37.2 3.4 18.4 151 151 A V H >> S+ 0 0 28 1,-0.2 3,-1.0 2,-0.2 4,-0.8 0.934 114.4 49.3 -66.1 -42.8 -34.5 3.8 20.9 152 152 A L H >X S+ 0 0 6 -4,-2.3 4,-1.0 1,-0.2 3,-1.0 0.894 104.7 58.4 -61.9 -39.7 -32.0 4.7 18.1 153 153 A D H 3< S+ 0 0 94 -4,-1.3 -1,-0.2 1,-0.3 4,-0.2 0.650 101.5 59.8 -60.4 -22.6 -34.6 7.4 16.7 154 154 A S H << S+ 0 0 75 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.710 112.5 33.7 -81.4 -31.0 -34.3 8.9 20.2 155 155 A I H XX S+ 0 0 6 -3,-1.0 3,-1.5 -4,-0.8 4,-1.5 0.487 88.4 107.0-102.5 -3.2 -30.6 9.6 20.0 156 156 A R H 3X S+ 0 0 39 -4,-1.0 4,-2.0 1,-0.3 5,-0.1 0.787 80.6 47.7 -49.1 -36.2 -30.5 10.3 16.1 157 157 A E H 3> S+ 0 0 126 -4,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.816 108.6 54.6 -77.2 -28.4 -30.0 14.0 16.5 158 158 A E H <> S+ 0 0 89 -3,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.757 110.0 47.2 -75.7 -26.5 -27.2 13.5 19.1 159 159 A L H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.905 108.9 52.9 -79.7 -43.9 -25.4 11.3 16.6 160 160 A E H X S+ 0 0 47 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.839 106.6 55.1 -60.1 -30.9 -25.8 13.8 13.7 161 161 A A H X S+ 0 0 60 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.927 109.2 46.3 -67.3 -44.0 -24.3 16.5 16.0 162 162 A L H X S+ 0 0 16 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.925 112.6 51.4 -59.5 -47.3 -21.2 14.3 16.5 163 163 A E H X S+ 0 0 11 -4,-2.8 4,-1.2 1,-0.3 -2,-0.2 0.904 110.9 47.4 -56.7 -45.0 -21.1 13.6 12.7 164 164 A K H X S+ 0 0 114 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.3 0.867 108.7 55.5 -65.0 -36.2 -21.2 17.3 12.2 165 165 A K H X S+ 0 0 121 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.851 106.3 50.0 -63.4 -40.8 -18.5 17.8 14.8 166 166 A Y H X S+ 0 0 34 -4,-2.2 4,-1.4 2,-0.2 6,-0.5 0.754 110.2 52.0 -70.3 -27.8 -16.1 15.4 13.0 167 167 A E H X S+ 0 0 53 -4,-1.2 4,-1.2 -5,-0.2 -2,-0.2 0.822 112.8 44.0 -77.8 -36.4 -16.7 17.2 9.7 168 168 A E H < S+ 0 0 123 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.833 117.2 44.7 -75.3 -38.5 -16.0 20.5 11.1 169 169 A K H < S+ 0 0 87 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.746 127.6 26.0 -82.8 -25.5 -12.9 19.4 13.0 170 170 A T H < S- 0 0 63 -4,-1.4 -3,-0.2 2,-0.2 -2,-0.2 0.583 93.8-129.1-111.8 -19.6 -11.3 17.3 10.2 171 171 A G S < S+ 0 0 66 -4,-1.2 -4,-0.2 1,-0.3 -3,-0.1 0.521 72.5 115.0 79.0 8.2 -12.7 19.0 7.1 172 172 A L S S- 0 0 96 -6,-0.5 -1,-0.3 1,-0.1 -2,-0.2 -0.701 76.9 -96.3-107.9 153.4 -13.8 15.6 5.7 173 173 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -9,-0.1 -0.492 56.3 -91.0 -65.3 145.7 -17.3 14.1 5.1 174 174 A S - 0 0 7 1,-0.2 -11,-0.1 -2,-0.1 -166,-0.1 -0.303 33.5-134.5 -54.8 126.5 -18.4 12.0 8.0 175 175 A P S S+ 0 0 68 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.845 87.3 14.9 -58.3 -30.0 -17.2 8.4 7.2 176 176 A E S S- 0 0 42 -169,-0.1 2,-0.4 -13,-0.0 3,-0.0 -0.955 70.1-149.5-141.9 155.1 -20.6 7.1 8.2 177 177 A R >> - 0 0 111 -2,-0.3 3,-1.9 1,-0.1 4,-0.5 -0.993 18.5-140.4-131.7 132.2 -24.1 8.6 8.8 178 178 A V T 34 S+ 0 0 3 -2,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.672 103.2 71.4 -67.2 -12.2 -26.8 7.4 11.2 179 179 A E T 34 S+ 0 0 130 1,-0.2 -1,-0.3 -23,-0.1 -23,-0.0 0.820 83.4 71.8 -64.7 -32.3 -29.3 8.3 8.4 180 180 A A T <4 0 0 89 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.928 360.0 360.0 -52.7 -46.9 -27.8 5.2 6.6 181 181 A R < 0 0 79 -4,-0.5 -1,-0.1 -3,-0.2 -3,-0.0 -0.266 360.0 360.0 -48.3 360.0 -29.7 3.0 9.1