==== 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 TRANSFERASE 10-FEB-06 2DEI . COMPND 2 MOLECULE: PROBABLE GALACTOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR E.INAGAKI,K.SAKAMOTO,A.SHINKAI,S.YOKOYAMA,RIKEN STRUCTURAL . 350 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15301.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 17.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 21 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.4 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 0 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 2 0 1 3 0 1 1 0 1 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 1 1 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 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 0 134 0, 0.0 2,-0.3 0, 0.0 37,-0.2 0.000 360.0 360.0 360.0 136.7 14.5 16.3 37.5 2 2 A I E -A 37 0A 37 35,-2.5 35,-2.6 2,-0.0 2,-0.4 -0.919 360.0-146.7-124.4 156.0 17.3 15.3 35.1 3 3 A K E -A 36 0A 130 -2,-0.3 2,-0.4 33,-0.2 33,-0.2 -0.994 13.9-172.3-122.6 126.2 20.9 16.5 34.8 4 4 A V E -A 35 0A 1 31,-2.7 31,-2.2 -2,-0.4 2,-0.5 -0.927 8.9-158.1-114.2 141.8 22.6 16.7 31.4 5 5 A K E -AB 34 349A 99 344,-3.0 344,-1.8 -2,-0.4 29,-0.2 -0.989 10.9-173.8-119.1 124.7 26.3 17.5 30.8 6 6 A S E -A 33 0A 0 27,-2.9 27,-2.9 -2,-0.5 341,-0.1 -0.958 14.7-141.8-120.4 120.3 27.2 18.9 27.4 7 7 A P E -A 32 0A 0 0, 0.0 25,-0.2 0, 0.0 23,-0.1 -0.267 5.7-130.3 -78.8 164.9 30.9 19.3 26.5 8 8 A G E - 0 0 0 23,-2.0 21,-1.8 21,-0.5 2,-0.3 -0.184 30.3-126.9 -85.8-165.7 32.6 22.1 24.6 9 9 A R E -A 28 0A 12 93,-2.5 2,-0.4 19,-0.3 19,-0.2 -0.990 16.8-159.2-147.4 156.0 35.0 21.3 21.8 10 10 A V E -A 27 0A 0 17,-2.1 17,-2.3 -2,-0.3 2,-0.6 -0.990 21.4-137.2-128.3 139.9 38.4 21.9 20.3 11 11 A N E -A 26 0A 0 -2,-0.4 3,-0.1 15,-0.2 291,-0.1 -0.893 11.8-166.8 -95.9 124.9 39.3 21.3 16.7 12 12 A L E - 0 0 0 13,-2.2 2,-0.3 -2,-0.6 -1,-0.2 0.929 69.5 -22.4 -74.4 -47.5 42.7 19.6 16.3 13 13 A I E S+A 25 0A 0 12,-0.5 12,-1.6 1,-0.1 -1,-0.3 -0.955 102.2 77.5-159.4 159.0 43.2 20.2 12.6 14 14 A G > + 0 0 1 -2,-0.3 3,-0.5 10,-0.2 2,-0.4 0.864 55.7 177.0 95.5 56.3 40.8 20.9 9.7 15 15 A E T 3 + 0 0 7 1,-0.2 -1,-0.2 2,-0.1 227,-0.1 -0.774 64.3 3.9 -99.8 137.2 40.0 24.6 10.2 16 16 A H T 3 S+ 0 0 7 -2,-0.4 -1,-0.2 1,-0.1 226,-0.1 0.829 103.8 101.5 57.9 35.7 37.8 26.5 7.7 17 17 A T X > + 0 0 0 -3,-0.5 5,-2.5 6,-0.1 3,-1.3 0.587 56.6 76.4-112.4 -22.9 37.2 23.4 5.8 18 18 A D G > 5S+ 0 0 16 -4,-0.3 3,-1.6 1,-0.3 129,-0.1 0.860 88.5 57.1 -65.8 -33.4 33.7 22.4 7.0 19 19 A Y G 3 5S+ 0 0 8 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.535 110.1 46.0 -78.6 -3.6 31.8 25.0 4.9 20 20 A T G < 5S- 0 0 0 -3,-1.3 197,-3.0 219,-0.0 198,-0.4 0.077 122.7-107.3-112.5 19.8 33.3 23.6 1.7 21 21 A Y T < 5S+ 0 0 112 -3,-1.6 146,-0.4 195,-0.2 197,-0.4 0.869 72.7 140.5 62.8 41.7 32.6 20.0 2.8 22 22 A G < - 0 0 0 -5,-2.5 144,-2.2 144,-0.2 2,-0.3 -0.036 55.0 -64.5 -95.0-159.5 36.2 19.1 3.6 23 23 A Y E -G 165 0B 43 142,-0.2 2,-0.3 143,-0.1 142,-0.2 -0.698 46.6-179.5 -95.3 144.0 37.8 17.1 6.4 24 24 A V E -G 164 0B 0 140,-2.4 140,-2.8 -2,-0.3 -10,-0.2 -0.934 17.1-161.4-136.5 159.9 37.8 18.1 10.1 25 25 A M E +A 13 0A 0 -12,-1.6 -13,-2.2 -2,-0.3 -12,-0.5 -0.483 28.1 155.6-143.4 72.2 39.2 16.5 13.3 26 26 A P E -A 11 0A 0 0, 0.0 136,-2.9 0, 0.0 2,-0.3 -0.345 22.5-156.5 -90.3 172.7 37.6 17.8 16.5 27 27 A M E -A 10 0A 0 -17,-2.3 -17,-2.1 134,-0.2 2,-0.3 -0.981 23.0-116.5-141.6 150.0 37.2 16.4 20.0 28 28 A A E -AC 9 345A 0 317,-0.6 317,-2.6 -2,-0.3 2,-0.3 -0.629 38.1-147.5 -76.0 146.7 34.8 17.0 22.8 29 29 A I E - C 0 344A 0 -21,-1.8 2,-1.2 2,-0.3 -21,-0.5 -0.792 22.2-104.6-117.5 165.4 36.6 18.4 25.8 30 30 A N E S+ 0 0 47 313,-0.8 2,-0.4 -2,-0.3 -21,-0.1 -0.293 88.4 97.5 -89.9 50.9 36.1 18.1 29.6 31 31 A L E - 0 0 18 -2,-1.2 -23,-2.0 71,-0.1 2,-0.3 -0.986 62.1-165.5-131.8 136.9 34.6 21.5 30.1 32 32 A Y E -A 7 0A 43 -2,-0.4 64,-1.7 -25,-0.2 63,-0.8 -0.884 36.3-137.2-136.0 149.9 30.8 21.5 30.2 33 33 A T E -AD 6 94A 11 -27,-2.9 -27,-2.9 -2,-0.3 2,-0.4 -0.900 35.6-157.8 -90.9 133.0 27.5 23.2 30.1 34 34 A K E -AD 5 93A 78 59,-2.6 59,-3.0 -2,-0.5 2,-0.4 -0.951 10.4-172.3-116.1 136.5 25.4 21.6 32.8 35 35 A I E -AD 4 92A 1 -31,-2.2 -31,-2.7 -2,-0.4 2,-0.5 -0.998 7.1-173.9-130.6 126.4 21.6 21.7 32.7 36 36 A E E +AD 3 91A 76 55,-2.3 55,-2.3 -2,-0.4 2,-0.3 -0.992 29.9 151.4-117.4 119.3 19.4 20.5 35.6 37 37 A A E -AD 2 90A 0 -35,-2.6 -35,-2.5 -2,-0.5 2,-0.3 -0.981 31.5-163.9-152.3 161.8 15.7 20.6 34.6 38 38 A E E - D 0 89A 74 51,-2.0 51,-2.4 -2,-0.3 81,-0.0 -0.877 44.6 -76.5-137.7 169.1 12.1 19.2 34.9 39 39 A K E + D 0 88A 124 -2,-0.3 49,-0.3 49,-0.2 2,-0.3 -0.323 53.9 168.5 -67.5 150.3 9.0 19.5 32.8 40 40 A H E - D 0 87A 67 47,-1.3 47,-1.1 1,-0.1 49,-0.0 -0.971 47.2-111.5-155.8 163.6 7.0 22.8 33.1 41 41 A G S S+ 0 0 68 -2,-0.3 17,-0.5 45,-0.1 2,-0.2 0.771 103.2 14.9 -72.0 -28.0 4.1 24.6 31.3 42 42 A E S S- 0 0 55 15,-0.1 46,-0.7 16,-0.1 2,-0.6 -0.689 94.7 -87.2-130.0-169.8 6.5 27.2 30.0 43 43 A V E +Ef 56 88A 0 13,-2.7 13,-2.1 44,-0.2 2,-0.4 -0.920 46.0 167.3-109.7 116.8 10.2 27.6 29.6 44 44 A I E +Ef 55 89A 18 44,-2.6 46,-2.3 -2,-0.6 2,-0.4 -0.983 5.0 170.6-130.2 118.2 12.1 29.1 32.6 45 45 A L E -Ef 54 90A 0 9,-2.6 9,-2.5 -2,-0.4 2,-0.5 -0.993 22.2-153.9-133.7 135.6 15.8 28.9 32.8 46 46 A Y E -Ef 53 91A 75 44,-2.1 46,-3.3 -2,-0.4 2,-0.7 -0.912 13.8-154.6-101.6 123.5 18.3 30.5 35.2 47 47 A S E >> -Ef 52 92A 9 5,-2.8 4,-1.7 -2,-0.5 5,-1.5 -0.893 6.7-162.1 -99.1 113.2 21.8 31.0 33.7 48 48 A E T 45S+ 0 0 92 44,-2.9 -1,-0.2 -2,-0.7 45,-0.1 0.866 91.0 59.1 -58.3 -37.2 24.5 31.0 36.4 49 49 A H T 45S+ 0 0 104 43,-0.4 -1,-0.2 1,-0.2 44,-0.1 0.943 117.2 30.9 -57.9 -48.1 26.9 32.7 33.9 50 50 A F T 45S- 0 0 91 2,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.584 101.6-131.7 -84.2 -13.6 24.5 35.7 33.4 51 51 A G T <5 + 0 0 44 -4,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.888 69.8 102.0 62.1 40.9 23.1 35.6 36.9 52 52 A E E < -E 47 0A 62 -5,-1.5 -5,-2.8 2,-0.0 2,-0.4 -0.998 66.6-127.0-155.5 155.2 19.6 35.8 35.6 53 53 A E E -E 46 0A 114 -2,-0.3 2,-0.4 -7,-0.3 -7,-0.2 -0.850 23.6-177.1-100.9 135.9 16.4 34.0 34.7 54 54 A R E +E 45 0A 82 -9,-2.5 -9,-2.6 -2,-0.4 2,-0.3 -0.970 8.0 178.0-128.9 146.9 14.8 34.3 31.3 55 55 A K E -E 44 0A 97 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.954 11.2-176.3-143.4 158.7 11.5 32.7 30.3 56 56 A F E -E 43 0A 6 -13,-2.1 -13,-2.7 -2,-0.3 2,-0.2 -0.968 31.0-111.4-153.0 151.5 9.1 32.4 27.5 57 57 A S > - 0 0 42 -2,-0.3 3,-2.2 -15,-0.2 -15,-0.1 -0.520 34.9-117.6 -68.6 148.9 5.7 30.8 26.8 58 58 A L T 3 S+ 0 0 57 -17,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.749 118.1 63.4 -57.4 -22.9 5.9 27.9 24.3 59 59 A N T 3 S+ 0 0 155 1,-0.2 2,-0.8 2,-0.0 -1,-0.3 0.666 92.7 72.5 -67.5 -17.2 3.7 30.1 22.2 60 60 A D < + 0 0 29 -3,-2.2 -1,-0.2 1,-0.1 12,-0.0 -0.731 40.6 147.1-119.0 82.6 6.5 32.6 22.0 61 61 A L + 0 0 29 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.1 -0.069 32.7 136.8-101.6 31.2 9.5 31.7 19.8 62 62 A R - 0 0 179 1,-0.1 2,-0.1 2,-0.0 10,-0.1 -0.592 63.9-104.5 -74.9 136.4 10.1 35.3 18.8 63 63 A K - 0 0 98 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 -0.388 34.6-178.3 -57.7 136.0 13.8 36.3 18.8 64 64 A E - 0 0 74 2,-0.2 -1,-0.1 -2,-0.1 3,-0.1 0.369 40.6-120.8-117.8 -1.8 14.7 38.5 21.8 65 65 A N S S+ 0 0 136 1,-0.3 2,-0.3 2,-0.1 -2,-0.1 0.928 79.0 98.3 55.0 48.9 18.4 39.1 20.9 66 66 A S S > S- 0 0 26 0, 0.0 3,-2.3 0, 0.0 -1,-0.3 -0.895 95.5 -81.8-146.3 179.1 19.6 37.6 24.1 67 67 A W T >> S+ 0 0 23 1,-0.3 3,-1.7 -2,-0.3 4,-0.6 0.724 118.9 73.6 -59.2 -25.7 21.0 34.2 25.3 68 68 A I H >> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 3,-0.7 0.764 79.7 76.1 -63.5 -22.7 17.5 32.9 25.5 69 69 A D H <> S+ 0 0 8 -3,-2.3 4,-2.1 1,-0.2 -1,-0.3 0.796 87.4 58.5 -55.5 -28.5 17.4 32.8 21.7 70 70 A Y H <> S+ 0 0 63 -3,-1.7 4,-0.9 -4,-0.2 -1,-0.2 0.843 109.4 44.7 -71.9 -31.9 19.6 29.6 21.8 71 71 A V H XX S+ 0 0 0 -3,-0.7 4,-1.9 -4,-0.6 3,-0.6 0.935 112.7 49.4 -74.6 -47.8 16.9 28.0 23.8 72 72 A K H 3X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.860 104.6 61.0 -57.0 -36.0 14.1 29.2 21.6 73 73 A G H 3X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.870 103.8 49.3 -62.6 -37.1 16.0 28.0 18.5 74 74 A I H S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 -1,-0.2 0.934 112.2 45.8 -68.2 -44.3 11.7 20.7 17.1 79 79 A K H ><5S+ 0 0 158 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.913 113.6 49.7 -60.1 -43.8 8.4 22.3 16.1 80 80 A E H 3<5S+ 0 0 116 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.713 110.3 51.4 -70.5 -22.1 9.5 22.8 12.5 81 81 A S T 3<5S- 0 0 44 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.227 123.6-103.4-101.7 13.2 10.6 19.2 12.4 82 82 A D T < 5S+ 0 0 150 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.902 72.6 136.5 74.6 44.8 7.2 17.9 13.7 83 83 A Y < - 0 0 81 -5,-2.1 2,-0.6 -6,-0.1 -1,-0.2 -0.949 44.4-143.5-116.7 144.9 7.9 17.1 17.3 84 84 A E + 0 0 183 -2,-0.4 2,-0.3 36,-0.1 -5,-0.0 -0.943 31.4 162.3-107.5 116.5 5.6 18.0 20.2 85 85 A V - 0 0 20 -2,-0.6 2,-0.1 -10,-0.1 32,-0.0 -0.955 24.9-141.1-128.7 158.6 7.5 19.0 23.3 86 86 A G - 0 0 18 -2,-0.3 -45,-0.1 1,-0.2 -44,-0.1 -0.279 36.1 -71.8-102.2-170.2 6.4 20.8 26.4 87 87 A G E -D 40 0A 1 -47,-1.1 -47,-1.3 -2,-0.1 2,-0.3 -0.109 38.1-149.5 -79.0 178.4 8.2 23.4 28.6 88 88 A I E -Df 39 43A 0 -46,-0.7 -44,-2.6 -49,-0.3 2,-0.4 -0.978 4.9-157.7-146.0 149.8 11.1 23.0 31.0 89 89 A K E +Df 38 44A 100 -51,-2.4 -51,-2.0 -2,-0.3 2,-0.3 -1.000 40.6 101.2-128.2 130.4 12.2 24.7 34.2 90 90 A G E -Df 37 45A 16 -46,-2.3 -44,-2.1 -2,-0.4 2,-0.4 -0.981 57.7 -75.3 179.5-165.0 15.8 24.6 35.4 91 91 A R E -Df 36 46A 102 -55,-2.3 -55,-2.3 -2,-0.3 2,-0.5 -0.957 22.6-153.6-130.0 132.4 19.3 25.8 35.9 92 92 A V E +Df 35 47A 11 -46,-3.3 -44,-2.9 -2,-0.4 -43,-0.4 -0.940 36.9 134.4-109.2 122.1 22.2 26.2 33.4 93 93 A S E +D 34 0A 31 -59,-3.0 -59,-2.6 -2,-0.5 3,-0.2 -0.529 7.9 121.4-141.9-154.6 25.6 26.1 34.9 94 94 A G E -D 33 0A 45 -61,-0.3 -61,-0.2 -2,-0.2 -2,-0.0 -0.486 62.5 -86.2 113.1 176.7 29.0 24.5 34.3 95 95 A N S S+ 0 0 93 -63,-0.8 -62,-0.2 -2,-0.2 -1,-0.1 0.265 75.5 119.4-113.7 11.5 32.7 25.4 33.7 96 96 A L - 0 0 9 -64,-1.7 2,-0.1 -3,-0.2 -65,-0.0 -0.659 67.3-122.3 -79.4 120.4 32.8 25.9 29.9 97 97 A P > - 0 0 12 0, 0.0 3,-0.7 0, 0.0 2,-0.4 -0.389 25.4-119.0 -67.8 143.1 33.9 29.5 29.3 98 98 A L T 3 S- 0 0 49 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.682 85.3 -1.3 -88.7 132.9 31.5 31.6 27.3 99 99 A G T 3 S+ 0 0 23 -2,-0.4 92,-0.5 1,-0.1 93,-0.2 0.715 91.4 122.0 69.6 24.6 32.5 33.2 24.0 100 100 A A S < S- 0 0 1 -3,-0.7 87,-0.2 90,-0.1 208,-0.2 0.397 88.8-100.4 -96.2 1.4 36.0 31.8 24.3 101 101 A G S S+ 0 0 25 206,-0.2 207,-0.1 -4,-0.1 -3,-0.1 0.677 96.8 110.1 86.3 19.7 36.0 29.8 21.0 102 102 A L S S- 0 0 1 -5,-0.3 -93,-2.5 -92,-0.1 -73,-0.2 0.187 94.4-101.7-110.4 16.3 35.3 26.5 22.7 103 103 A S > + 0 0 7 -95,-0.2 4,-2.8 3,-0.1 5,-0.2 0.920 56.8 163.4 64.2 54.1 31.7 26.3 21.3 104 104 A S H > S+ 0 0 25 -7,-0.2 4,-2.6 2,-0.2 5,-0.3 0.845 78.5 59.7 -65.4 -25.4 29.6 27.3 24.2 105 105 A S H > S+ 0 0 24 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.971 110.5 37.4 -65.0 -52.0 26.8 27.8 21.6 106 106 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.4 0.923 117.0 53.7 -67.0 -39.5 26.9 24.2 20.3 107 107 A S H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.949 114.9 40.0 -54.4 -53.3 27.4 23.0 23.9 108 108 A F H X S+ 0 0 24 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.937 116.4 49.3 -62.7 -50.1 24.4 24.9 25.2 109 109 A E H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.3 -2,-0.2 0.925 115.2 43.1 -57.6 -50.2 22.1 24.2 22.1 110 110 A V H X S+ 0 0 1 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.863 111.5 56.3 -65.6 -35.4 22.9 20.4 22.2 111 111 A G H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.4 -2,-0.2 0.920 109.2 45.6 -63.1 -44.5 22.5 20.4 26.0 112 112 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.913 112.9 50.8 -63.9 -43.5 19.0 21.9 25.7 113 113 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.908 110.8 48.6 -59.2 -43.1 18.1 19.4 23.0 114 114 A E H X S+ 0 0 6 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.846 108.3 54.3 -67.5 -36.0 19.3 16.5 25.1 115 115 A T H X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.927 112.5 42.9 -61.6 -45.9 17.3 17.8 28.0 116 116 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 6,-0.3 0.882 110.5 56.7 -68.4 -36.9 14.1 17.8 25.9 117 117 A D H <>S+ 0 0 8 -4,-2.5 5,-1.5 -5,-0.2 6,-0.6 0.907 114.5 38.9 -60.1 -41.8 15.0 14.4 24.4 118 118 A K H ><5S+ 0 0 78 -4,-2.1 3,-0.5 3,-0.2 -2,-0.2 0.934 117.9 45.4 -78.2 -46.7 15.2 12.9 27.8 119 119 A L H 3<5S+ 0 0 23 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.869 124.0 34.2 -63.2 -39.0 12.3 14.6 29.5 120 120 A Y T 3<5S- 0 0 50 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.292 104.5-123.3-103.8 6.2 9.9 14.1 26.6 121 121 A N T < 5 + 0 0 112 -3,-0.5 -3,-0.2 -4,-0.4 -4,-0.1 0.856 51.8 157.2 58.0 43.2 11.2 10.7 25.4 122 122 A L < - 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