==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 06-SEP-04 1XDH . COMPND 2 MOLECULE: PLASMEPSIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR L.PRADE . 668 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26476.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 478 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 223 33.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 3 0.4 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 . 75 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 4 0 2 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 4 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 . 5 9 7 9 3 5 1 2 0 0 2 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 2 0 0 0 2 0 0 0 0 0 0 2 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 S 0 0 156 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.8 36.9 71.8 3.0 2 2 A S + 0 0 103 1,-0.6 2,-0.2 170,-0.0 0, 0.0 0.156 360.0 71.8 180.0 -38.9 37.3 68.0 3.0 3 3 A N S S- 0 0 30 146,-0.1 -1,-0.6 147,-0.0 2,-0.4 -0.644 84.2-108.5 -91.8 157.8 34.8 66.7 5.6 4 4 A D E -A 170 0A 25 166,-1.2 166,-2.8 -2,-0.2 2,-0.4 -0.721 34.3-160.6 -91.0 136.5 31.0 66.7 5.1 5 5 A N E -A 169 0A 40 -2,-0.4 2,-0.6 164,-0.2 164,-0.2 -0.957 15.4-157.9-123.8 127.9 28.9 69.2 7.1 6 6 A I E -A 168 0A 8 162,-2.9 162,-2.5 -2,-0.4 2,-0.2 -0.934 29.9-129.5 -95.0 120.9 25.2 69.3 8.0 7 7 A E E -A 167 0A 108 -2,-0.6 12,-0.6 160,-0.2 2,-0.4 -0.491 21.6-148.0 -70.6 142.5 24.3 72.8 8.8 8 8 A L E -AB 166 18A 0 158,-2.4 158,-2.1 149,-0.2 2,-0.4 -0.923 10.5-165.6-117.7 136.4 22.4 73.3 12.1 9 9 A V E - B 0 17A 82 8,-2.2 8,-2.6 -2,-0.4 156,-0.1 -0.957 27.1-112.6-119.9 140.1 19.7 75.8 12.9 10 10 A D E - B 0 16A 28 -2,-0.4 2,-0.5 6,-0.2 6,-0.3 -0.363 18.9-148.2 -69.1 148.6 18.6 76.6 16.4 11 11 A F E >> S- B 0 15A 20 4,-2.7 4,-1.8 1,-0.1 3,-1.6 -0.981 79.4 -24.0-116.1 115.0 15.1 75.7 17.5 12 12 A Q T 34 S- 0 0 105 -2,-0.5 -1,-0.1 1,-0.3 4,-0.1 0.855 113.2 -71.3 51.2 40.4 13.7 78.2 20.1 13 13 A N T 34 S+ 0 0 69 1,-0.2 -1,-0.3 2,-0.1 148,-0.2 0.376 130.6 57.0 67.9 -3.9 17.2 79.2 21.1 14 14 A I T <4 S+ 0 0 10 -3,-1.6 -1,-0.2 146,-0.1 -2,-0.2 0.691 97.9 44.2-126.4 -44.5 18.0 75.9 22.9 15 15 A M E < -B 11 0A 4 -4,-1.8 -4,-2.7 201,-0.0 2,-0.3 -0.396 67.6-151.4 -92.9 179.6 17.7 72.9 20.7 16 16 A F E -B 10 0A 3 -6,-0.3 17,-0.4 199,-0.3 2,-0.3 -0.988 3.7-155.4-150.2 152.4 18.9 72.6 17.1 17 17 A Y E -B 9 0A 15 -8,-2.6 -8,-2.2 -2,-0.3 2,-0.3 -0.897 4.5-169.2-125.2 159.0 18.0 70.7 14.0 18 18 A G E -BC 8 31A 2 13,-2.2 13,-3.1 -2,-0.3 2,-0.3 -0.978 21.2-120.4-141.7 158.3 19.7 69.6 10.8 19 19 A D E + C 0 30A 76 -12,-0.6 75,-0.4 -2,-0.3 2,-0.3 -0.719 31.6 160.9-102.5 145.0 18.4 68.1 7.6 20 20 A A E - C 0 29A 1 9,-1.9 9,-2.5 -2,-0.3 2,-0.3 -0.909 27.2-121.4-145.7 176.8 19.2 64.8 5.9 21 21 A E E -DC 92 28A 53 71,-2.5 71,-2.7 -2,-0.3 2,-0.4 -0.897 10.6-160.4-129.9 152.4 17.5 62.7 3.2 22 22 A V E > +DC 91 27A 0 5,-2.2 5,-1.7 -2,-0.3 69,-0.2 -0.990 58.5 34.3-130.7 141.2 16.0 59.2 2.8 23 23 A G T > 5S- 0 0 0 67,-2.2 3,-1.7 -2,-0.4 66,-0.1 0.007 90.3 -88.3 95.6 152.6 15.4 57.4 -0.5 24 24 A D T 3 5S+ 0 0 47 1,-0.3 -1,-0.1 2,-0.1 39,-0.1 0.697 128.9 61.7 -69.5 -16.5 17.3 57.5 -3.8 25 25 A N T 3 5S- 0 0 76 -3,-0.1 -1,-0.3 65,-0.1 -2,-0.1 0.268 114.4-119.5 -88.3 10.5 15.2 60.5 -4.7 26 26 A Q T < 5 - 0 0 83 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.911 32.0-164.8 58.6 49.9 16.6 62.4 -1.6 27 27 A Q E < -C 22 0A 19 -5,-1.7 -5,-2.2 32,-0.1 2,-0.2 -0.569 20.5-133.3 -66.7 118.7 13.3 63.0 0.3 28 28 A P E +C 21 0A 58 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.568 28.3 177.4 -85.6 144.7 14.4 65.7 2.8 29 29 A F E -C 20 0A 1 -9,-2.5 -9,-1.9 -2,-0.2 2,-0.5 -0.980 28.7-126.0-142.1 148.3 13.6 65.7 6.5 30 30 A T E -C 19 0A 29 -2,-0.3 91,-3.0 -11,-0.2 92,-1.9 -0.855 38.7-168.5 -94.7 128.5 14.4 67.9 9.5 31 31 A F E -Ce 18 122A 1 -13,-3.1 -13,-2.2 -2,-0.5 2,-0.6 -0.893 34.2-132.4-123.8 143.9 16.0 66.0 12.3 32 32 A I E - e 0 123A 3 90,-1.9 92,-2.8 -2,-0.4 2,-0.7 -0.881 34.9-142.2 -75.9 122.2 16.9 66.2 15.9 33 33 A L E - e 0 124A 0 -2,-0.6 2,-0.6 -17,-0.4 92,-0.2 -0.893 25.4-165.4 -94.8 112.7 20.5 64.9 15.6 34 34 A D E > - e 0 125A 0 90,-2.6 92,-2.5 -2,-0.7 3,-1.6 -0.859 33.9-179.4-123.2 97.6 20.7 62.9 18.8 35 35 A T T 3 S+ 0 0 0 -2,-0.6 158,-0.5 1,-0.3 93,-0.2 0.619 87.1 68.3 -64.3 -13.7 23.9 61.5 20.4 36 36 A G T 3 S+ 0 0 0 156,-0.1 628,-2.7 91,-0.1 2,-0.3 0.278 103.2 40.1 -92.0 8.6 21.5 60.1 23.1 37 37 A S < - 0 0 0 -3,-1.6 90,-2.0 626,-0.2 89,-1.0 -0.907 61.6-149.2-144.2 178.1 19.9 57.5 20.8 38 38 A A + 0 0 7 93,-0.4 2,-0.4 87,-0.3 98,-0.2 0.053 63.7 88.6-145.0 26.5 20.9 55.1 18.1 39 39 A N - 0 0 3 93,-0.1 86,-1.3 92,-0.1 2,-0.5 -0.969 58.8-142.8-127.6 146.7 17.9 54.8 15.7 40 40 A L E +F 124 0A 2 -2,-0.4 63,-2.6 61,-0.3 2,-0.3 -0.891 27.5 171.4-103.1 132.0 16.9 56.8 12.7 41 41 A W E -Fg 123 103A 0 82,-2.2 82,-0.9 -2,-0.5 63,-0.2 -0.998 14.7-177.5-142.5 150.2 13.2 57.4 12.1 42 42 A V E - g 0 104A 0 61,-2.1 63,-2.7 -2,-0.3 2,-0.2 -0.979 38.2-102.1-136.7 148.0 11.0 59.5 9.8 43 43 A P E - g 0 105A 0 0, 0.0 15,-2.6 0, 0.0 2,-0.2 -0.536 42.5-133.2 -72.6 138.6 7.2 59.8 9.7 44 44 A S B > -o 58 0B 0 61,-3.0 3,-2.0 13,-0.3 15,-0.2 -0.557 17.8-121.5 -91.1 155.2 5.7 57.8 6.9 45 45 A V T 3 S+ 0 0 61 13,-2.5 14,-0.1 1,-0.3 -1,-0.1 0.745 118.2 65.8 -59.1 -23.4 3.1 58.8 4.3 46 46 A K T 3 S+ 0 0 99 12,-0.4 -1,-0.3 59,-0.1 2,-0.1 0.432 75.4 121.7 -76.9 -1.7 1.4 55.8 6.0 47 47 A a < - 0 0 21 -3,-2.0 60,-0.2 58,-0.2 59,-0.1 -0.414 38.1-178.5 -65.2 137.9 1.2 57.8 9.3 48 48 A T + 0 0 126 58,-1.8 2,-0.2 -2,-0.1 -1,-0.1 0.454 45.6 104.0-113.4 -8.0 -2.4 58.3 10.5 49 49 A T S > S- 0 0 15 57,-0.6 3,-1.8 1,-0.1 4,-0.3 -0.486 76.3-118.7 -93.3 155.3 -1.8 60.4 13.6 50 50 A A G > S+ 0 0 78 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.774 106.5 66.4 -62.4 -33.3 -2.5 64.1 14.0 51 51 A G G > S+ 0 0 0 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.747 92.6 62.1 -61.2 -25.8 1.2 64.9 14.8 52 52 A a G X S+ 0 0 7 -3,-1.8 3,-1.8 1,-0.2 -1,-0.3 0.613 77.8 93.4 -73.9 -10.4 2.2 64.0 11.3 53 53 A L G < S+ 0 0 151 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.865 91.7 35.2 -54.9 -45.2 0.0 66.7 9.8 54 54 A T G < S+ 0 0 98 -3,-0.5 -1,-0.3 -4,-0.3 2,-0.2 0.315 104.6 99.9 -91.8 9.9 2.7 69.4 9.6 55 55 A K S < S- 0 0 14 -3,-1.8 2,-0.3 -4,-0.1 66,-0.1 -0.531 77.1-109.5-102.5 155.7 5.6 67.0 8.8 56 56 A H - 0 0 96 -2,-0.2 2,-0.4 -26,-0.1 -26,-0.1 -0.662 43.6-149.8 -69.7 140.7 7.6 65.9 5.8 57 57 A L - 0 0 66 -2,-0.3 2,-0.5 -15,-0.1 -13,-0.3 -0.933 8.6-124.9-126.1 140.4 6.6 62.3 5.1 58 58 A Y B -o 44 0B 0 -15,-2.6 -13,-2.5 -2,-0.4 2,-0.6 -0.726 18.8-165.7 -89.1 128.3 8.6 59.4 3.7 59 59 A D > - 0 0 38 -2,-0.5 3,-1.3 -15,-0.2 4,-0.1 -0.923 6.4-170.1-118.1 102.9 7.1 57.6 0.7 60 60 A S G > S+ 0 0 12 -2,-0.6 3,-1.3 1,-0.3 6,-0.3 0.751 83.8 66.7 -64.5 -26.2 8.8 54.3 0.0 61 61 A S G 3 S+ 0 0 93 1,-0.2 -1,-0.3 3,-0.0 5,-0.0 0.749 96.1 56.5 -66.6 -24.2 6.9 54.0 -3.3 62 62 A K G < S+ 0 0 136 -3,-1.3 2,-0.5 1,-0.1 -1,-0.2 0.408 96.2 75.6 -88.2 -0.1 8.9 57.0 -4.7 63 63 A S X - 0 0 8 -3,-1.3 3,-1.0 -4,-0.1 -1,-0.1 -0.962 59.0-162.9-121.1 121.1 12.3 55.4 -4.0 64 64 A R T 3 S+ 0 0 225 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.800 92.4 57.6 -67.7 -30.0 13.8 52.7 -6.2 65 65 A T T 3 S+ 0 0 58 2,-0.1 -1,-0.2 25,-0.0 2,-0.1 0.403 77.5 123.4 -86.3 2.6 16.3 51.7 -3.5 66 66 A Y < - 0 0 49 -3,-1.0 2,-0.4 -6,-0.3 23,-0.2 -0.421 44.0-164.5 -60.6 134.1 13.7 51.0 -0.9 67 67 A E E -H 88 0A 104 21,-2.7 21,-1.7 -2,-0.1 -2,-0.1 -0.989 17.9-127.2-124.9 120.8 13.9 47.5 0.5 68 68 A K E +H 87 0A 158 -2,-0.4 19,-0.1 19,-0.2 18,-0.0 -0.275 43.5 147.2 -65.8 146.0 10.8 46.2 2.5 69 69 A D E - 0 0 69 17,-0.6 18,-0.2 2,-0.0 -1,-0.2 0.269 20.4-173.2-136.5 -72.9 11.2 44.8 6.0 70 70 A G E + 0 0 28 16,-2.7 2,-0.2 1,-0.3 17,-0.1 0.417 22.8 154.7 89.9 -0.9 8.0 45.6 7.9 71 71 A T E - 0 0 79 15,-0.2 15,-2.5 14,-0.1 -1,-0.3 -0.460 46.6-120.3 -61.2 123.7 9.2 44.4 11.3 72 72 A K E +H 85 0A 184 -2,-0.2 2,-0.3 13,-0.2 13,-0.3 -0.310 39.4 174.3 -70.9 151.0 7.1 46.3 13.9 73 73 A V E -H 84 0A 16 11,-2.1 11,-2.5 -3,-0.1 2,-0.4 -0.977 26.1-151.3-162.7 140.2 9.0 48.4 16.4 74 74 A E E -H 83 0A 111 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.969 14.7-152.6-114.6 132.2 8.4 50.9 19.1 75 75 A M E -H 82 0A 2 7,-3.1 7,-1.9 -2,-0.4 2,-0.5 -0.941 14.0-161.2-110.0 119.7 11.1 53.6 19.8 76 76 A N E +H 81 0A 50 -2,-0.6 589,-2.3 5,-0.2 2,-0.3 -0.894 13.3 172.4-110.4 130.7 11.1 54.8 23.4 77 77 A Y E > -HI 80 664A 4 3,-2.9 3,-0.8 -2,-0.5 587,-0.3 -0.835 47.4-107.7-122.1 165.6 12.7 58.0 24.7 78 78 A V T 3 S+ 0 0 51 585,-2.6 585,-0.2 -2,-0.3 586,-0.1 0.924 123.0 43.3 -55.3 -41.0 12.6 59.7 28.1 79 79 A S T 3 S- 0 0 44 583,-1.9 2,-0.3 584,-0.3 -1,-0.2 0.458 126.6 -48.0 -90.0 -2.1 10.4 62.3 26.5 80 80 A G E < -H 77 0A 11 -3,-0.8 -3,-2.9 582,-0.2 2,-0.4 -0.956 50.1 -92.9 157.8-175.9 8.1 60.0 24.5 81 81 A T E -H 76 0A 37 29,-1.7 2,-0.3 -2,-0.3 29,-0.3 -0.984 19.7-178.1-138.4 138.7 7.4 57.1 22.2 82 82 A V E -H 75 0A 2 -7,-1.9 -7,-3.1 -2,-0.4 2,-0.3 -0.944 13.1-165.6-129.5 155.8 6.8 56.6 18.4 83 83 A S E +HJ 74 107A 34 24,-2.0 23,-2.2 -2,-0.3 24,-1.8 -0.960 28.2 107.4-142.0 159.4 6.1 53.4 16.6 84 84 A G E -HJ 73 105A 8 -11,-2.5 -11,-2.1 -2,-0.3 2,-0.3 -0.819 58.5 -63.1 175.7-128.2 6.0 51.9 13.2 85 85 A F E -HJ 72 104A 27 19,-2.0 19,-3.2 -13,-0.3 -13,-0.2 -0.984 42.2 -95.0-152.6 156.1 8.1 49.5 11.3 86 86 A F E + J 0 103A 5 -15,-2.5 -16,-2.7 -2,-0.3 -17,-0.6 -0.429 40.3 166.5 -75.9 144.9 11.6 48.9 9.9 87 87 A S E -HJ 68 102A 0 15,-2.5 15,-2.7 -18,-0.2 2,-0.4 -0.919 24.8-135.0-142.4 168.8 12.5 49.8 6.3 88 88 A K E +HJ 67 101A 81 -21,-1.7 -21,-2.7 -2,-0.3 2,-0.3 -0.997 36.4 136.1-130.8 135.3 15.8 50.1 4.5 89 89 A D E - J 0 100A 0 11,-1.9 11,-2.0 -2,-0.4 2,-0.3 -0.971 58.5 -64.8-161.7 171.3 16.8 52.9 2.0 90 90 A L E - J 0 99A 37 -2,-0.3 -67,-2.2 9,-0.2 2,-0.5 -0.521 46.6-162.1 -65.2 122.6 19.5 55.2 1.0 91 91 A V E -DJ 22 98A 1 7,-2.8 7,-2.0 -2,-0.3 2,-0.6 -0.952 1.9-161.2-109.1 129.8 20.2 57.7 3.8 92 92 A T E +DJ 21 97A 7 -71,-2.7 -71,-2.5 -2,-0.5 2,-0.5 -0.957 12.3 178.8-117.7 115.4 22.1 60.8 2.8 93 93 A V E > S- J 0 96A 2 3,-2.1 3,-1.8 -2,-0.6 2,-0.3 -0.978 75.9 -33.2-115.6 116.6 23.8 62.9 5.5 94 94 A G T 3 S- 0 0 31 -2,-0.5 -73,-0.1 -75,-0.4 -88,-0.1 -0.604 122.8 -41.2 65.2-133.0 25.5 65.8 3.8 95 95 A N T 3 S+ 0 0 138 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.2 0.009 119.5 105.0-109.1 26.2 26.6 64.4 0.5 96 96 A L E < - J 0 93A 24 -3,-1.8 -3,-2.1 2,-0.0 2,-0.3 -0.841 52.3-178.7 -93.4 142.9 27.6 61.1 2.2 97 97 A S E + J 0 92A 43 -2,-0.4 -5,-0.2 -5,-0.2 -7,-0.1 -0.994 14.8 163.2-146.7 153.0 25.2 58.3 1.6 98 98 A L E - J 0 91A 0 -7,-2.0 -7,-2.8 -2,-0.3 2,-0.2 -0.971 45.5 -95.0-160.3 148.0 24.5 54.6 2.5 99 99 A P E + J 0 90A 61 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.504 57.4 179.8 -57.9 133.6 21.8 51.9 2.5 100 100 A Y E - J 0 89A 10 -11,-2.0 -11,-1.9 -2,-0.2 2,-0.4 -0.998 34.3-123.7-152.9 138.3 20.5 52.1 6.0 101 101 A K E + J 0 88A 63 -2,-0.3 -61,-0.3 -13,-0.2 2,-0.3 -0.689 45.1 156.7 -80.2 128.5 17.9 50.4 8.3 102 102 A F E - J 0 87A 0 -15,-2.7 -15,-2.5 -2,-0.4 2,-0.5 -0.887 40.7 -99.4-145.4 175.0 15.5 53.0 9.8 103 103 A I E -gJ 41 86A 1 -63,-2.6 -61,-2.1 -2,-0.3 2,-0.8 -0.886 17.0-150.0-108.8 125.4 12.0 53.2 11.2 104 104 A E E -gJ 42 85A 0 -19,-3.2 -19,-2.0 -2,-0.5 2,-0.4 -0.874 25.2-147.0 -84.4 110.5 9.0 54.4 9.3 105 105 A V E +gJ 43 84A 0 -63,-2.7 -61,-3.0 -2,-0.8 -21,-0.3 -0.688 31.5 165.1 -87.7 131.0 6.8 55.9 12.0 106 106 A I E + 0 0 56 -23,-2.2 -58,-1.8 -2,-0.4 -57,-0.6 0.430 67.4 51.2-118.2 -6.9 3.1 55.6 11.6 107 107 A D E + J 0 83A 62 -24,-1.8 -24,-2.0 -60,-0.2 -1,-0.2 -0.933 46.7 160.8-140.4 111.6 2.0 56.5 15.1 108 108 A T > + 0 0 0 -2,-0.4 3,-2.0 -26,-0.2 7,-0.2 0.269 46.4 106.5-112.1 7.2 3.2 59.6 16.9 109 109 A N G > S+ 0 0 83 1,-0.3 3,-0.9 2,-0.2 514,-0.1 0.782 75.8 59.7 -61.7 -27.3 0.5 59.9 19.6 110 110 A G G 3 S+ 0 0 46 -29,-0.3 -29,-1.7 1,-0.2 -1,-0.3 0.425 100.6 58.0 -77.6 1.1 2.9 58.7 22.3 111 111 A F G <> S+ 0 0 1 -3,-2.0 4,-2.7 -31,-0.3 -1,-0.2 -0.025 89.5 157.0-121.2 26.0 5.2 61.7 21.5 112 112 A E T <4 + 0 0 33 -3,-0.9 511,-0.2 1,-0.2 -31,-0.1 -0.798 51.4 16.2-104.0 151.2 2.7 64.5 22.2 113 113 A P T > S+ 0 0 39 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 -0.998 124.0 58.0 -81.4 -4.1 2.6 67.4 22.9 114 114 A T H > S+ 0 0 29 -35,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.871 104.2 49.0 -53.2 -48.0 6.3 67.6 21.8 115 115 A Y H >< S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.937 115.4 41.8 -65.4 -46.5 6.0 66.4 18.3 116 116 A T H 34 S+ 0 0 52 1,-0.2 -1,-0.2 -5,-0.2 -2,-0.2 0.851 114.6 53.1 -68.5 -32.0 3.1 68.7 17.3 117 117 A A H 3< S+ 0 0 56 -4,-2.2 -1,-0.2 2,-0.0 2,-0.2 0.511 106.2 66.3 -79.7 -7.5 4.7 71.6 19.1 118 118 A S S << S- 0 0 12 -3,-0.9 -107,-0.0 -4,-0.7 0, 0.0 -0.700 72.3-138.0-116.7 165.7 8.0 71.2 17.3 119 119 A T + 0 0 92 -2,-0.2 2,-0.2 -64,-0.0 -89,-0.1 0.306 67.8 105.1-111.7 12.2 9.2 71.6 13.7 120 120 A F - 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