==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 10-APR-06 2CK1 . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHISTOSOMA MANSONI; . AUTHOR L.J.GOURLAY,F.ANGELUCCI,A.BELLELLI,G.BOUMIS,A.E.MIELE, . 164 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7848.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 31.7 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 . 2 1.2 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 . 12 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 11.0 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+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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 0 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 9 A N 0 0 205 0, 0.0 24,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.1 -3.8 0.9 -7.0 2 10 A L - 0 0 49 1,-0.1 22,-0.1 22,-0.0 0, 0.0 -0.585 360.0-109.9 -77.2 127.1 -2.4 0.1 -3.5 3 11 A P - 0 0 19 0, 0.0 20,-2.5 0, 0.0 2,-0.5 -0.211 24.1-152.5 -59.0 143.2 1.0 -1.7 -3.6 4 12 A R E +AB 22 163A 99 159,-0.6 159,-3.1 18,-0.2 2,-0.3 -0.986 22.3 172.9-118.0 120.0 1.2 -5.3 -2.6 5 13 A V E -AB 21 162A 0 16,-2.6 16,-3.2 -2,-0.5 2,-0.3 -0.819 11.3-153.2-125.4 165.6 4.5 -6.4 -1.2 6 14 A F E -AB 20 161A 18 155,-2.4 155,-1.5 -2,-0.3 2,-0.4 -0.961 13.8-157.2-141.5 155.2 5.9 -9.6 0.5 7 15 A F E -AB 19 160A 0 12,-2.0 12,-2.9 -2,-0.3 2,-0.5 -0.997 13.6-150.7-122.2 131.8 8.4 -11.1 2.8 8 16 A D E -AB 18 159A 26 151,-3.1 150,-1.7 -2,-0.4 151,-1.1 -0.923 27.3-151.1 -92.4 127.2 9.5 -14.7 2.7 9 17 A I E -AB 17 157A 2 8,-2.6 7,-3.3 -2,-0.5 8,-0.9 -0.846 18.1-167.6-109.6 133.9 10.4 -15.6 6.3 10 18 A R E -AB 15 156A 90 146,-2.5 146,-2.8 -2,-0.4 2,-0.6 -0.989 5.4-164.8-115.8 124.4 12.9 -18.2 7.6 11 19 A I E > -AB 14 155A 22 3,-2.4 3,-1.6 -2,-0.5 144,-0.2 -0.939 63.5 -50.5-107.6 115.0 12.8 -19.0 11.3 12 20 A G T 3 S- 0 0 20 142,-3.0 144,-0.1 -2,-0.6 141,-0.0 -0.369 124.8 -14.7 55.0-127.3 16.0 -20.8 12.4 13 21 A N T 3 S+ 0 0 142 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.2 0.134 123.4 78.7 -93.1 22.7 16.5 -23.7 9.9 14 22 A G E < S-A 11 0A 28 -3,-1.6 -3,-2.4 0, 0.0 2,-0.3 -0.989 76.7-121.1-138.7 135.6 13.0 -23.7 8.4 15 23 A D E -A 10 0A 125 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.565 24.6-168.8 -67.2 130.0 11.1 -21.7 5.8 16 24 A A E - 0 0 6 -7,-3.3 2,-0.2 1,-0.3 -6,-0.2 0.625 38.1-106.4 -98.8 -18.6 8.1 -20.2 7.5 17 25 A G E -A 9 0A 34 -8,-0.9 -8,-2.6 2,-0.0 2,-0.4 -0.719 43.2 -50.5 118.8-172.5 6.0 -18.9 4.6 18 26 A R E -A 8 0A 76 -2,-0.2 2,-0.5 -10,-0.2 -10,-0.2 -0.886 31.9-154.8-113.5 132.4 5.2 -15.6 3.0 19 27 A I E -A 7 0A 0 -12,-2.9 -12,-2.0 -2,-0.4 2,-0.5 -0.926 14.7-160.8 -99.2 123.4 3.7 -12.4 4.5 20 28 A V E -AC 6 133A 16 113,-2.8 112,-2.9 -2,-0.5 113,-1.6 -0.926 8.3-168.9-108.4 132.2 1.8 -10.3 2.1 21 29 A M E -AC 5 131A 0 -16,-3.2 -16,-2.6 -2,-0.5 2,-0.5 -0.941 16.1-147.4-123.5 138.6 1.2 -6.6 2.9 22 30 A E E -AC 4 130A 48 108,-2.9 108,-2.1 -2,-0.4 2,-0.4 -0.918 20.9-145.7-100.8 132.7 -1.0 -4.0 1.3 23 31 A L E - C 0 129A 0 -20,-2.5 2,-1.8 -2,-0.5 106,-0.3 -0.843 10.9-132.3-105.4 134.8 0.4 -0.4 1.6 24 32 A R >> + 0 0 74 104,-3.0 4,-2.8 -2,-0.4 3,-1.5 -0.445 42.4 155.2 -89.3 67.5 -1.8 2.6 2.0 25 33 A S T 34 + 0 0 38 -2,-1.8 -1,-0.2 1,-0.3 8,-0.1 0.676 68.8 67.9 -66.5 -19.6 -0.3 4.8 -0.7 26 34 A D T 34 S+ 0 0 87 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.769 116.4 22.9 -66.4 -27.1 -3.7 6.6 -0.8 27 35 A I T <4 S+ 0 0 40 -3,-1.5 -2,-0.2 1,-0.1 61,-0.1 0.801 139.4 21.9-109.8 -45.0 -3.1 8.0 2.7 28 36 A V X + 0 0 0 -4,-2.8 4,-2.8 100,-0.1 5,-0.3 -0.628 66.2 165.2-127.2 70.8 0.6 8.0 3.3 29 37 A P H > S+ 0 0 68 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.874 76.8 47.9 -60.0 -40.5 2.2 7.9 -0.2 30 38 A R H > S+ 0 0 108 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.927 115.8 43.8 -64.4 -45.4 5.8 8.9 1.0 31 39 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.888 114.6 49.7 -69.1 -40.7 5.8 6.3 3.8 32 40 A A H X S+ 0 0 1 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.916 110.2 50.9 -62.6 -44.7 4.3 3.6 1.6 33 41 A E H X S+ 0 0 54 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.894 106.7 54.5 -63.3 -41.0 6.9 4.3 -1.2 34 42 A N H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.963 113.1 42.3 -52.4 -53.7 9.8 4.0 1.3 35 43 A F H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.913 114.5 49.7 -63.1 -45.7 8.6 0.6 2.4 36 44 A R H X S+ 0 0 29 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.920 112.3 48.1 -58.9 -45.1 7.8 -0.6 -1.1 37 45 A A H X>S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 5,-0.8 0.834 110.2 51.2 -68.5 -35.0 11.2 0.5 -2.4 38 46 A L H <5S+ 0 0 1 -4,-2.1 9,-2.0 -5,-0.2 10,-0.4 0.808 109.0 53.2 -70.4 -29.3 13.0 -1.2 0.6 39 47 A C H <5S+ 0 0 3 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.901 117.0 35.8 -68.2 -41.7 11.1 -4.4 -0.3 40 48 A T H <5S- 0 0 54 -4,-2.0 -2,-0.2 121,-0.2 -1,-0.2 0.673 98.5-136.5 -86.7 -17.8 12.2 -4.4 -3.9 41 49 A G T ><5 + 0 0 31 -4,-1.6 3,-2.0 -5,-0.2 -3,-0.2 0.644 52.3 148.2 70.5 17.2 15.7 -3.0 -3.2 42 50 A E T 3 < + 0 0 103 -5,-0.8 -4,-0.1 1,-0.3 4,-0.1 0.688 65.9 53.3 -60.4 -21.9 15.3 -0.6 -6.2 43 51 A R T 3 S- 0 0 118 -6,-0.5 -1,-0.3 2,-0.5 3,-0.1 0.533 127.2 -92.9 -92.0 -5.4 17.5 2.1 -4.6 44 52 A G S < S+ 0 0 69 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.466 101.2 52.7 109.6 7.0 20.4 -0.2 -3.9 45 53 A F + 0 0 53 -8,-0.2 -2,-0.5 -4,-0.1 -1,-0.3 -0.971 58.5 114.5-162.4 159.8 19.5 -1.3 -0.3 46 54 A G - 0 0 12 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.995 68.9 -36.6 163.9-156.8 16.6 -2.7 1.6 47 55 A Y S > S+ 0 0 0 -9,-2.0 3,-2.6 -2,-0.3 110,-0.2 0.486 77.1 127.2 -81.7 -7.5 15.1 -5.5 3.6 48 56 A H T 3 S+ 0 0 112 -10,-0.4 -2,-0.2 1,-0.3 110,-0.2 -0.326 89.4 0.6 -56.4 124.5 16.6 -8.4 1.7 49 57 A N T 3 S+ 0 0 104 108,-2.6 -1,-0.3 1,-0.2 109,-0.1 0.577 102.7 135.0 70.1 12.4 18.3 -10.7 4.3 50 58 A C < - 0 0 8 -3,-2.6 107,-3.2 107,-0.4 2,-0.3 -0.249 42.9-136.6 -80.7 174.8 17.3 -8.4 7.1 51 59 A C B -D 156 0A 29 105,-0.2 13,-1.2 14,-0.2 2,-0.6 -0.822 15.3-113.5-130.9 166.7 15.8 -9.7 10.4 52 60 A F E -E 63 0A 3 103,-2.2 103,-0.4 -2,-0.3 11,-0.3 -0.947 30.3-177.5 -96.8 117.7 13.1 -9.3 13.0 53 61 A H E + 0 0 38 9,-1.1 98,-0.4 -2,-0.6 2,-0.4 0.523 66.3 45.0 -99.3 -8.5 15.0 -8.3 16.1 54 62 A R E +E 62 0A 92 8,-1.7 8,-2.8 96,-0.1 2,-0.4 -0.990 55.9 171.7-133.3 130.0 12.0 -8.1 18.5 55 63 A V E +E 61 0A 2 94,-2.1 91,-2.1 -2,-0.4 94,-0.3 -0.918 2.8 177.1-134.6 109.9 9.2 -10.6 18.7 56 64 A I E >> -E 60 0A 19 4,-2.9 3,-2.1 -2,-0.4 4,-1.3 -0.931 33.4-124.7-110.2 106.3 6.7 -10.1 21.6 57 65 A P T 34 S+ 0 0 36 0, 0.0 82,-0.1 0, 0.0 -2,-0.0 -0.226 91.9 8.0 -54.8 135.2 3.9 -12.7 21.4 58 66 A Q T 34 S+ 0 0 125 1,-0.1 56,-0.0 81,-0.1 81,-0.0 0.595 129.6 58.6 70.1 14.3 0.4 -11.1 21.3 59 67 A F T <4 S- 0 0 53 -3,-2.1 56,-2.6 1,-0.2 57,-0.6 0.494 105.4 -57.6-128.2 -70.9 1.9 -7.6 20.9 60 68 A M E < -EF 56 114A 8 -4,-1.3 -4,-2.9 54,-0.3 2,-0.4 -0.985 27.9-127.8-168.2 164.7 4.1 -7.1 17.9 61 69 A C E -EF 55 113A 3 52,-2.0 52,-2.6 -2,-0.3 2,-0.4 -0.993 25.1-159.9-126.0 141.5 7.1 -8.1 15.9 62 70 A Q E +EF 54 112A 23 -8,-2.8 -8,-1.7 -2,-0.4 -9,-1.1 -0.953 23.6 135.9-124.0 139.4 9.7 -5.5 14.8 63 71 A G E +EF 52 111A 0 48,-2.4 48,-2.0 -2,-0.4 -11,-0.2 -0.784 20.8 104.4-153.3-164.3 12.3 -5.6 12.1 64 72 A G + 0 0 0 -13,-1.2 2,-1.7 46,-0.2 3,-0.2 0.450 38.6 134.1 97.0 2.5 13.9 -3.6 9.2 65 73 A D > + 0 0 2 -14,-0.5 4,-0.9 1,-0.2 -14,-0.2 -0.620 17.6 157.3 -84.1 83.3 17.3 -2.6 10.7 66 74 A F T 4 + 0 0 49 -2,-1.7 -1,-0.2 2,-0.1 -20,-0.1 0.554 66.1 54.9 -85.4 -8.9 19.4 -3.6 7.6 67 75 A V T 4 S+ 0 0 71 -3,-0.2 -1,-0.1 8,-0.0 -2,-0.1 0.906 129.0 8.1 -88.4 -47.2 22.3 -1.3 8.5 68 76 A K T 4 S- 0 0 130 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.615 85.6-141.2-110.6 -19.8 23.2 -2.4 12.1 69 77 A G S < S+ 0 0 38 -4,-0.9 -3,-0.1 1,-0.1 -4,-0.1 0.497 82.3 75.8 75.4 7.5 21.0 -5.5 12.4 70 78 A D S S- 0 0 94 -7,-0.0 -1,-0.1 -19,-0.0 -4,-0.1 0.314 110.8 -92.3-135.4 4.9 20.0 -4.9 16.0 71 79 A G S S+ 0 0 23 -6,-0.1 -5,-0.1 2,-0.0 39,-0.0 0.462 104.0 96.5 94.2 3.3 17.4 -2.1 16.1 72 80 A T S S+ 0 0 95 -7,-0.1 2,-0.2 0, 0.0 0, 0.0 0.503 86.3 32.1 -97.8 -5.0 19.9 0.8 16.6 73 81 A G + 0 0 13 2,-0.0 36,-0.2 -8,-0.0 37,-0.2 -0.599 51.3 128.7-136.8-168.5 20.0 1.7 12.9 74 82 A G - 0 0 17 -2,-0.2 2,-0.3 -9,-0.2 -9,-0.1 -0.601 29.6-135.3 135.3 166.4 18.4 1.9 9.5 75 83 A K - 0 0 81 -2,-0.2 5,-0.2 33,-0.1 2,-0.2 -0.989 9.4-135.5-153.4 153.2 17.9 4.4 6.7 76 84 A S B > -I 79 0B 2 3,-2.7 3,-1.1 -2,-0.3 33,-0.1 -0.535 33.1-108.1-100.8 170.1 15.1 5.5 4.4 77 85 A I T 3 S+ 0 0 25 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.643 122.4 55.4 -67.4 -14.3 15.0 6.2 0.7 78 86 A Y T 3 S- 0 0 76 1,-0.4 2,-0.3 30,-0.1 -1,-0.2 0.444 126.4 -80.6 -97.1 -3.5 14.8 9.9 1.7 79 87 A G B < S-I 76 0B 33 -3,-1.1 -3,-2.7 1,-0.1 -1,-0.4 -0.839 73.5 -37.4 130.1-169.2 17.9 9.9 3.9 80 88 A R S S+ 0 0 218 -2,-0.3 2,-0.3 -5,-0.2 -1,-0.1 0.875 126.2 4.5 -58.5 -40.0 18.8 8.7 7.4 81 89 A K - 0 0 140 -3,-0.2 2,-0.3 -6,-0.1 27,-0.2 -0.959 65.5-161.9-141.0 159.2 15.5 9.9 8.7 82 90 A F B -J 107 0C 7 25,-1.6 25,-1.7 -2,-0.3 3,-0.1 -0.972 29.7 -90.5-141.2 160.6 12.2 11.4 7.4 83 91 A D - 0 0 100 -2,-0.3 2,-0.5 23,-0.2 3,-0.1 -0.210 45.0 -96.3 -67.6 151.9 9.2 13.3 8.8 84 92 A D - 0 0 23 1,-0.2 -1,-0.1 -53,-0.0 3,-0.1 -0.607 37.0-155.4 -62.4 117.5 6.0 11.7 10.2 85 93 A E - 0 0 52 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.966 56.9 -47.7 -67.7 -58.2 3.8 12.0 7.1 86 94 A N - 0 0 29 41,-0.1 -1,-0.3 -3,-0.1 3,-0.2 -0.949 35.1-129.5-163.5 173.9 0.5 11.9 8.9 87 95 A F + 0 0 83 -2,-0.3 36,-0.1 1,-0.1 38,-0.1 -0.124 65.1 122.0-121.1 36.0 -1.4 10.1 11.6 88 96 A Q + 0 0 137 39,-0.1 2,-0.3 -61,-0.1 -1,-0.1 0.804 60.5 68.8 -71.8 -30.1 -4.6 9.5 9.7 89 97 A L S S- 0 0 35 38,-0.3 38,-0.5 -3,-0.2 2,-0.2 -0.691 75.0-143.0 -94.4 144.9 -4.5 5.6 10.0 90 98 A R - 0 0 135 -2,-0.3 2,-1.7 32,-0.1 3,-0.1 -0.681 25.2-110.7-105.5 157.4 -5.0 3.9 13.3 91 99 A H + 0 0 0 -2,-0.2 31,-0.1 1,-0.2 30,-0.1 -0.655 53.6 167.8 -81.3 83.0 -3.4 0.8 14.9 92 100 A E - 0 0 124 -2,-1.7 2,-0.3 25,-0.1 25,-0.2 0.547 45.6 -61.3 -87.8 -10.6 -6.8 -1.0 14.5 93 101 A G S > S+ 0 0 10 23,-0.4 3,-1.5 -3,-0.1 23,-0.3 -0.984 88.2 4.3 157.5-166.4 -6.0 -4.7 15.1 94 102 A F T 3 S+ 0 0 53 -2,-0.3 21,-0.3 21,-0.3 23,-0.1 -0.153 118.0 16.0 -52.5 131.3 -4.0 -7.7 14.0 95 103 A G T 3 S+ 0 0 0 19,-3.3 36,-2.1 1,-0.3 -1,-0.2 0.364 76.9 153.5 93.7 -3.5 -1.5 -7.1 11.1 96 104 A V E < -G 130 0A 6 -3,-1.5 18,-2.1 18,-0.3 2,-0.5 -0.371 35.2-143.2 -60.8 132.4 -1.3 -3.3 11.1 97 105 A L E +GH 129 113A 0 32,-2.4 31,-2.5 16,-0.2 32,-1.3 -0.889 28.8 165.1-103.3 129.4 2.0 -2.2 9.7 98 106 A S E -GH 127 112A 0 14,-2.3 14,-2.8 -2,-0.5 2,-0.4 -0.957 37.0 -99.0-145.4 155.9 3.6 0.9 11.3 99 107 A M E - H 0 111A 0 27,-2.3 27,-0.3 -2,-0.3 12,-0.3 -0.659 27.6-141.1 -82.5 126.4 6.9 2.8 11.5 100 108 A A + 0 0 9 10,-1.4 8,-0.5 -2,-0.4 2,-0.3 -0.478 34.2 165.1 -71.6 152.9 9.2 2.3 14.5 101 109 A N - 0 0 45 -2,-0.1 6,-0.1 6,-0.1 4,-0.0 -0.964 48.3-125.3-158.8 175.1 10.9 5.6 15.6 102 110 A S S S- 0 0 108 1,-0.4 5,-0.0 -2,-0.3 -2,-0.0 -0.079 85.6 -49.7-115.6 30.7 12.9 7.3 18.4 103 111 A G S > S- 0 0 25 21,-0.2 3,-0.8 3,-0.0 -1,-0.4 -0.723 100.2 -10.9 125.8-179.5 10.5 10.2 18.7 104 112 A P T 3 S+ 0 0 106 0, 0.0 -2,-0.1 0, 0.0 21,-0.1 -0.181 125.8 1.5 -55.3 135.9 8.8 12.7 16.3 105 113 A N T 3 S+ 0 0 66 1,-0.1 -22,-0.1 -4,-0.0 -4,-0.0 0.865 91.9 118.3 58.3 46.1 10.1 12.8 12.7 106 114 A T < + 0 0 30 -3,-0.8 -23,-0.2 -25,-0.1 -4,-0.1 -0.034 31.0 149.8-129.8 29.4 12.7 10.0 13.0 107 115 A N B +J 82 0C 0 -25,-1.7 -25,-1.6 1,-0.1 -31,-0.2 -0.420 8.1 149.4 -65.5 137.7 11.4 7.4 10.6 108 116 A G - 0 0 11 -8,-0.5 -31,-0.2 2,-0.3 -30,-0.1 0.161 67.2 -57.1-130.3-109.5 14.0 5.3 8.9 109 117 A S S S+ 0 0 1 -36,-0.2 -35,-0.1 -33,-0.1 -44,-0.1 0.570 95.8 107.1-118.5 -22.9 13.6 1.7 7.8 110 118 A Q + 0 0 26 -37,-0.2 -10,-1.4 -10,-0.1 -2,-0.3 -0.353 42.9 166.5 -68.0 140.3 12.5 -0.1 11.0 111 119 A F E -FH 63 99A 0 -48,-2.0 -48,-2.4 -12,-0.3 2,-0.3 -0.920 20.5-146.1-144.8 165.3 8.9 -1.1 11.1 112 120 A F E -FH 62 98A 3 -14,-2.8 -14,-2.3 -2,-0.3 2,-0.5 -0.974 7.4-144.7-139.2 156.6 6.6 -3.3 13.2 113 121 A I E -FH 61 97A 0 -52,-2.6 -52,-2.0 -2,-0.3 2,-0.2 -0.990 22.4-141.8-116.4 118.7 3.6 -5.5 12.7 114 122 A a E -F 60 0A 0 -18,-2.1 -19,-3.3 -2,-0.5 -54,-0.3 -0.601 11.3-165.3 -78.8 143.5 1.0 -5.4 15.6 115 123 A T S S+ 0 0 19 -56,-2.6 -21,-0.3 -21,-0.3 2,-0.3 0.189 77.3 31.8-111.7 12.7 -0.6 -8.7 16.5 116 124 A T S S- 0 0 54 -57,-0.6 2,-1.6 -23,-0.3 -23,-0.4 -0.896 109.1 -71.6-150.8 174.0 -3.3 -7.0 18.6 117 125 A K - 0 0 102 -2,-0.3 2,-1.5 -25,-0.2 3,-0.3 -0.628 49.2-177.2 -75.0 88.8 -5.1 -3.6 18.6 118 126 A a > + 0 0 0 -2,-1.6 3,-2.0 -25,-0.2 4,-0.2 -0.327 22.2 151.4 -83.9 53.4 -2.1 -1.6 19.7 119 127 A D G > + 0 0 64 -2,-1.5 3,-1.7 1,-0.3 -1,-0.2 0.704 57.4 72.9 -65.4 -21.3 -4.2 1.6 19.8 120 128 A W G 3 S+ 0 0 144 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.603 90.7 63.4 -63.9 -12.2 -2.1 3.3 22.6 121 129 A L G X> S+ 0 0 21 -3,-2.0 3,-2.0 -30,-0.1 4,-1.7 0.507 74.4 120.1 -90.3 -8.5 0.4 3.7 19.8 122 130 A D T <4 S+ 0 0 30 -3,-1.7 4,-0.1 1,-0.3 -32,-0.1 -0.338 78.9 18.5 -56.9 134.4 -1.9 6.0 17.7 123 131 A G T 34 S+ 0 0 52 2,-0.4 -1,-0.3 -36,-0.1 3,-0.1 0.471 119.8 67.5 79.7 1.6 -0.3 9.5 17.2 124 132 A K T <4 S+ 0 0 139 -3,-2.0 2,-0.4 1,-0.4 -2,-0.2 0.665 100.8 36.4-115.9 -36.3 3.1 8.1 18.0 125 133 A H S < S- 0 0 35 -4,-1.7 2,-0.6 -38,-0.1 -2,-0.4 -0.965 82.3-119.6-125.7 135.4 3.9 5.8 15.1 126 134 A V - 0 0 0 -2,-0.4 -27,-2.3 -27,-0.3 2,-0.3 -0.646 24.6-148.4 -78.8 115.3 2.9 6.3 11.5 127 135 A V E + G 0 98A 6 -2,-0.6 -38,-0.3 -38,-0.5 -29,-0.3 -0.662 27.4 162.5 -79.0 136.5 0.6 3.5 10.3 128 136 A F E - 0 0 0 -31,-2.5 -104,-3.0 -2,-0.3 2,-0.3 0.366 53.3 -13.9-140.9 3.0 1.1 2.8 6.5 129 137 A G E -CG 23 97A 4 -32,-1.3 -32,-2.4 -106,-0.3 2,-0.3 -0.976 53.4-118.7-178.5-168.0 -0.4 -0.7 5.7 130 138 A R E -CG 22 96A 101 -108,-2.1 -108,-2.9 -2,-0.3 2,-0.4 -0.988 29.7-104.2-155.6 148.2 -1.7 -4.0 6.8 131 139 A V E +C 21 0A 6 -36,-2.1 -110,-0.3 -2,-0.3 3,-0.1 -0.634 35.2 174.9 -70.7 128.6 -0.9 -7.7 6.5 132 140 A V E + 0 0 48 -112,-2.9 2,-0.3 -2,-0.4 -111,-0.2 0.558 65.6 17.0-112.4 -17.5 -3.4 -9.2 4.0 133 141 A D E S+C 20 0A 98 -113,-1.6 -113,-2.8 1,-0.1 -1,-0.4 -0.985 107.5 43.9-152.4 151.7 -2.1 -12.7 3.7 134 142 A G >> + 0 0 4 -2,-0.3 4,-1.7 -115,-0.2 3,-0.7 0.778 54.1 148.4 82.0 27.4 0.3 -14.9 5.8 135 143 A Q H 3> S+ 0 0 64 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.867 74.2 59.7 -56.1 -35.1 -1.2 -13.9 9.2 136 144 A N H 3> S+ 0 0 90 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.832 101.3 53.4 -61.4 -32.9 -0.2 -17.5 10.1 137 145 A V H <> S+ 0 0 2 -3,-0.7 4,-1.1 -119,-0.2 -2,-0.2 0.909 107.7 48.9 -71.7 -43.0 3.5 -16.6 9.3 138 146 A V H >< S+ 0 0 3 -4,-1.7 3,-0.5 1,-0.2 4,-0.3 0.921 113.6 48.5 -57.3 -44.6 3.5 -13.6 11.6 139 147 A K H >< S+ 0 0 110 -4,-2.2 3,-1.5 1,-0.2 4,-0.3 0.852 102.2 62.3 -66.3 -36.4 2.0 -15.8 14.3 140 148 A K H >< S+ 0 0 92 -4,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.795 90.5 69.3 -55.4 -33.8 4.6 -18.6 13.7 141 149 A M G X< S+ 0 0 0 -4,-1.1 3,-1.9 -3,-0.5 -1,-0.3 0.752 80.9 75.8 -60.1 -24.4 7.3 -16.1 14.7 142 150 A E G X S+ 0 0 44 -3,-1.5 3,-1.3 -4,-0.3 -1,-0.3 0.758 78.2 74.3 -58.9 -25.3 5.9 -16.2 18.3 143 151 A S G < S+ 0 0 88 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.725 106.4 33.7 -61.5 -23.3 7.6 -19.6 18.7 144 152 A V G < S+ 0 0 6 -3,-1.9 8,-2.9 -4,-0.2 9,-0.3 0.224 106.8 92.3-116.2 11.1 11.0 -17.8 19.0 145 153 A G < - 0 0 7 -3,-1.3 2,-0.3 -4,-0.2 -89,-0.2 -0.368 52.6-163.1 -96.3 178.8 9.7 -14.7 20.8 146 154 A S > - 0 0 28 -91,-2.1 3,-1.0 -2,-0.1 -91,-0.1 -0.966 39.2 -98.8-155.6 164.9 9.4 -13.8 24.4 147 155 A K T 3 S+ 0 0 206 -2,-0.3 -1,-0.1 1,-0.3 -91,-0.1 0.829 125.9 50.7 -58.1 -33.5 7.6 -11.3 26.7 148 156 A S T 3 S- 0 0 88 2,-0.1 -1,-0.3 -93,-0.1 -92,-0.1 0.689 116.4-117.8 -75.8 -20.0 10.8 -9.2 26.8 149 157 A G < + 0 0 3 -3,-1.0 -94,-2.1 -94,-0.3 -2,-0.1 0.242 62.6 147.9 99.3 -11.5 11.0 -9.3 22.9 150 158 A K - 0 0 152 -96,-0.2 2,-0.4 -5,-0.1 -1,-0.3 -0.360 45.0-132.4 -60.7 131.1 14.3 -11.2 22.7 151 159 A V - 0 0 34 -98,-0.4 -6,-0.2 1,-0.1 -1,-0.1 -0.771 12.9-161.6 -94.6 129.3 14.4 -13.5 19.7 152 160 A K S S+ 0 0 141 -8,-2.9 -1,-0.1 -2,-0.4 -7,-0.1 0.708 75.1 17.9 -86.3 -26.3 15.6 -17.1 20.3 153 161 A E S S- 0 0 96 -9,-0.3 -1,-0.1 -141,-0.0 -9,-0.1 -0.966 100.5 -78.8-141.8 152.6 16.5 -18.1 16.8 154 162 A P - 0 0 81 0, 0.0 -142,-3.0 0, 0.0 2,-0.6 -0.313 34.9-162.7 -58.7 130.0 17.1 -15.9 13.6 155 163 A V E -B 11 0A 1 -103,-0.4 -103,-2.2 -144,-0.2 2,-0.4 -0.944 23.2-174.7-112.0 103.8 14.0 -14.6 11.9 156 164 A I E -BD 10 51A 48 -146,-2.8 -146,-2.5 -2,-0.6 2,-1.3 -0.824 35.9-134.1-112.9 136.4 15.2 -13.6 8.5 157 165 A I E -B 9 0A 0 -107,-3.2 -108,-2.6 -2,-0.4 -107,-0.4 -0.760 30.9-179.8 -80.6 93.4 13.6 -11.9 5.5 158 166 A S E + 0 0 38 -150,-1.7 2,-0.3 -2,-1.3 -1,-0.2 0.768 66.1 1.2 -66.2 -31.2 15.0 -14.5 3.0 159 167 A R E +B 8 0A 141 -151,-1.1 -151,-3.1 -3,-0.1 2,-0.3 -0.978 67.6 176.7-158.2 145.6 13.3 -12.7 0.1 160 168 A C E +B 7 0A 19 -2,-0.3 2,-0.3 -153,-0.2 -153,-0.2 -0.989 16.9 116.5-153.3 156.9 11.2 -9.7 -0.4 161 169 A G E -B 6 0A 7 -155,-1.5 -155,-2.4 -2,-0.3 2,-0.4 -0.971 53.4 -60.8 175.2-159.4 9.6 -7.7 -3.2 162 170 A E E -B 5 0A 85 -2,-0.3 2,-0.3 -157,-0.3 -157,-0.3 -0.901 36.8-151.4-119.2 145.5 6.4 -6.5 -4.9 163 171 A L E B 4 0A 58 -159,-3.1 -159,-0.6 -2,-0.4 -2,-0.0 -0.785 360.0 360.0-110.3 155.7 3.5 -8.5 -6.3 164 172 A I 0 0 235 -2,-0.3 -159,-0.0 -161,-0.1 -1,-0.0 -0.531 360.0 360.0 -63.9 360.0 1.1 -7.7 -9.1