==== 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 TRANSFERASE 12-JUL-05 2CZ9 . COMPND 2 MOLECULE: PROBABLE GALACTOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR E.INAGAKI,K.SAKAMOTO,A.SHINKAI,S.YOKOYAMA,RIKEN STRUCTURAL . 346 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15090.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 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 17.6 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 . 23 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.5 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 2 0 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 2 0 0 0 1 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 0 126 0, 0.0 2,-0.3 0, 0.0 37,-0.2 0.000 360.0 360.0 360.0 127.8 14.2 16.4 37.5 2 2 A I E -A 37 0A 48 35,-2.7 35,-2.2 2,-0.0 2,-0.4 -0.857 360.0-142.4-124.0 160.1 17.0 15.4 35.2 3 3 A K E -A 36 0A 120 -2,-0.3 2,-0.4 33,-0.2 33,-0.2 -0.982 13.9-170.2-124.0 131.6 20.6 16.6 34.7 4 4 A V E -A 35 0A 3 31,-2.9 31,-2.4 -2,-0.4 2,-0.5 -0.956 8.7-159.3-121.7 138.9 22.3 16.9 31.4 5 5 A K E -AB 34 346A 74 341,-3.3 341,-1.7 -2,-0.4 29,-0.2 -0.976 11.0-173.3-119.1 115.2 26.0 17.6 30.8 6 6 A S E -A 33 0A 0 27,-2.7 27,-2.5 -2,-0.5 105,-0.1 -0.937 16.2-140.7-112.5 115.2 26.8 19.0 27.3 7 7 A P E -A 32 0A 0 0, 0.0 25,-0.2 0, 0.0 23,-0.1 -0.164 5.2-130.3 -72.0 163.9 30.4 19.3 26.5 8 8 A G E -A 29 0A 0 23,-1.7 21,-1.9 21,-0.7 2,-0.3 -0.229 30.9-126.3 -92.6-167.6 32.2 22.1 24.6 9 9 A R E -A 28 0A 13 93,-2.1 2,-0.4 19,-0.3 19,-0.2 -0.987 17.9-160.4-149.0 157.6 34.5 21.3 21.7 10 10 A V E -A 27 0A 0 17,-2.2 17,-2.1 -2,-0.3 2,-0.6 -0.999 18.8-141.8-134.3 130.9 38.0 21.8 20.3 11 11 A N E -A 26 0A 0 -2,-0.4 3,-0.1 15,-0.3 288,-0.1 -0.858 10.2-166.4 -95.1 123.7 38.8 21.2 16.6 12 12 A L E - 0 0 0 13,-2.4 2,-0.3 -2,-0.6 -1,-0.2 0.915 69.1 -20.1 -75.0 -44.6 42.2 19.6 16.3 13 13 A I E S+A 25 0A 0 12,-0.6 12,-1.7 1,-0.1 -1,-0.3 -0.966 101.5 76.0-160.0 157.3 42.7 20.2 12.6 14 14 A G > + 0 0 0 -2,-0.3 3,-0.5 10,-0.2 2,-0.4 0.876 55.8 176.1 96.7 56.2 40.4 20.9 9.7 15 15 A E T 3 + 0 0 8 1,-0.2 -1,-0.2 2,-0.1 224,-0.1 -0.765 63.1 6.2 -97.7 139.6 39.5 24.5 10.1 16 16 A H T 3 S+ 0 0 9 -2,-0.4 -1,-0.2 1,-0.1 223,-0.1 0.838 103.3 100.9 59.1 36.9 37.4 26.4 7.6 17 17 A T X > + 0 0 0 -3,-0.5 5,-2.3 5,-0.1 3,-1.6 0.579 55.3 76.5-119.5 -23.4 36.7 23.3 5.6 18 18 A D G > 5S+ 0 0 13 -4,-0.3 3,-1.3 1,-0.3 129,-0.1 0.807 87.8 59.7 -67.0 -25.4 33.3 22.2 6.7 19 19 A Y G 3 5S+ 0 0 11 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.526 109.5 44.0 -80.1 -2.2 31.4 24.8 4.6 20 20 A T G < 5S- 0 0 0 -3,-1.6 194,-2.8 216,-0.0 195,-0.4 0.042 123.5-108.2-118.7 18.4 33.0 23.3 1.4 21 21 A Y T < 5S+ 0 0 116 -3,-1.3 194,-0.4 192,-0.2 146,-0.3 0.894 71.9 141.1 56.3 48.6 32.2 19.8 2.8 22 22 A G < - 0 0 0 -5,-2.3 144,-2.2 144,-0.2 2,-0.3 -0.054 54.3 -62.2 -99.0-158.2 35.8 18.9 3.6 23 23 A Y E +G 165 0B 43 142,-0.2 2,-0.3 143,-0.1 142,-0.2 -0.703 46.4 178.8 -96.2 144.9 37.4 17.0 6.4 24 24 A V E -G 164 0B 0 140,-2.2 140,-2.8 -2,-0.3 -10,-0.2 -0.940 17.0-161.0-138.0 159.3 37.4 18.0 10.1 25 25 A M E +A 13 0A 0 -12,-1.7 -13,-2.4 -2,-0.3 -12,-0.6 -0.532 28.1 157.6-143.9 74.9 38.7 16.4 13.3 26 26 A P E -A 11 0A 0 0, 0.0 136,-3.2 0, 0.0 2,-0.3 -0.383 21.8-156.7 -93.3 173.1 37.1 17.8 16.5 27 27 A M E -A 10 0A 0 -17,-2.1 -17,-2.2 134,-0.2 2,-0.3 -0.982 22.7-117.6-145.4 150.4 36.7 16.4 20.0 28 28 A A E -AC 9 342A 0 314,-0.6 314,-2.7 132,-0.3 2,-0.3 -0.663 38.8-146.5 -82.8 147.8 34.3 17.0 22.8 29 29 A I E -AC 8 341A 0 -21,-1.9 2,-1.5 -2,-0.3 -21,-0.7 -0.814 21.8-105.4-118.1 161.8 36.1 18.4 25.8 30 30 A N E S+ 0 0 47 310,-0.9 2,-0.4 -2,-0.3 -21,-0.1 -0.299 89.6 95.4 -83.7 52.4 35.7 18.1 29.5 31 31 A L E - 0 0 16 -2,-1.5 -23,-1.7 -23,-0.1 2,-0.3 -0.984 62.7-166.8-135.5 130.2 34.2 21.6 30.1 32 32 A Y E -A 7 0A 41 -2,-0.4 64,-2.2 -25,-0.2 2,-0.6 -0.812 37.6-136.2-132.0 165.3 30.4 21.7 30.1 33 33 A T E -A 6 0A 16 -27,-2.5 -27,-2.7 -2,-0.3 2,-0.4 -0.972 38.3-155.6-108.3 122.5 27.1 23.4 30.0 34 34 A K E -AD 5 93A 63 59,-2.5 59,-2.7 -2,-0.6 2,-0.4 -0.872 11.3-170.8-106.5 137.1 25.0 21.8 32.7 35 35 A I E -AD 4 92A 2 -31,-2.4 -31,-2.9 -2,-0.4 2,-0.5 -0.992 7.7-176.7-130.3 126.8 21.2 21.8 32.7 36 36 A E E +AD 3 91A 64 55,-2.2 55,-2.3 -2,-0.4 2,-0.3 -0.991 29.2 146.3-119.4 120.5 19.0 20.6 35.5 37 37 A A E -AD 2 90A 0 -35,-2.2 -35,-2.7 -2,-0.5 2,-0.3 -0.986 32.3-162.0-155.7 165.0 15.3 20.7 34.6 38 38 A E E - D 0 89A 78 51,-2.0 51,-2.3 -2,-0.3 81,-0.0 -0.880 46.1 -73.5-139.4 166.8 11.8 19.3 34.9 39 39 A K E + D 0 88A 125 -2,-0.3 49,-0.3 49,-0.2 2,-0.3 -0.283 55.0 167.9 -63.3 151.9 8.6 19.6 32.9 40 40 A H E - D 0 87A 70 47,-1.4 47,-1.0 2,-0.1 49,-0.0 -0.972 47.3-111.2-159.3 162.0 6.7 22.8 33.1 41 41 A G S S+ 0 0 66 -2,-0.3 17,-0.4 45,-0.1 2,-0.2 0.780 103.0 14.9 -69.6 -30.1 3.8 24.7 31.4 42 42 A E S S- 0 0 57 15,-0.1 46,-0.7 44,-0.1 2,-0.6 -0.628 94.6 -87.3-128.9-170.4 6.1 27.3 30.1 43 43 A V E +Ef 56 88A 0 13,-2.5 13,-2.0 44,-0.2 2,-0.5 -0.923 46.3 168.0-110.8 113.4 9.9 27.7 29.6 44 44 A I E +Ef 55 89A 12 44,-2.6 46,-2.3 -2,-0.6 2,-0.4 -0.982 4.1 171.0-128.0 120.1 11.7 29.1 32.6 45 45 A L E -Ef 54 90A 0 9,-2.4 9,-2.5 -2,-0.5 2,-0.6 -0.991 22.4-152.7-135.8 132.9 15.5 29.0 32.9 46 46 A Y E -Ef 53 91A 88 44,-2.1 46,-3.3 -2,-0.4 2,-0.6 -0.900 16.3-150.4-102.2 125.2 17.9 30.6 35.3 47 47 A S E >> -Ef 52 92A 7 5,-3.1 5,-1.4 -2,-0.6 4,-1.3 -0.868 6.7-160.9 -98.4 119.2 21.4 31.2 33.8 48 48 A E T 45S+ 0 0 91 44,-3.0 -1,-0.1 -2,-0.6 45,-0.1 0.859 91.5 52.6 -65.7 -35.6 24.3 31.0 36.3 49 49 A H T 45S+ 0 0 124 43,-0.4 -1,-0.2 1,-0.2 44,-0.1 0.971 118.7 32.7 -65.7 -53.9 26.5 33.0 34.0 50 50 A F T 45S- 0 0 94 2,-0.2 -1,-0.2 1,-0.0 -2,-0.2 0.604 101.6-135.9 -77.9 -10.3 24.2 35.9 33.4 51 51 A G T <5 + 0 0 42 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.919 66.9 100.0 56.0 47.1 22.8 35.5 36.9 52 52 A E E < -E 47 0A 59 -5,-1.4 -5,-3.1 2,-0.0 2,-0.4 -0.991 69.1-119.9-157.6 160.0 19.3 36.0 35.7 53 53 A E E -E 46 0A 99 -2,-0.3 2,-0.4 -7,-0.3 -7,-0.2 -0.842 25.2-175.7-104.8 139.3 16.1 34.1 34.8 54 54 A R E +E 45 0A 79 -9,-2.5 -9,-2.4 -2,-0.4 2,-0.3 -0.991 9.4 174.3-133.0 141.4 14.6 34.4 31.3 55 55 A K E -E 44 0A 89 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.949 12.3-176.7-144.9 164.2 11.3 32.8 30.3 56 56 A F E -E 43 0A 7 -13,-2.0 -13,-2.5 -2,-0.3 2,-0.1 -0.979 31.9-107.6-159.7 150.2 8.8 32.5 27.5 57 57 A S > - 0 0 48 -2,-0.3 3,-1.7 -15,-0.2 -15,-0.1 -0.465 34.2-118.4 -72.5 155.2 5.5 30.9 26.8 58 58 A L T 3 S+ 0 0 51 -17,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.772 118.3 61.7 -64.8 -23.5 5.6 27.9 24.5 59 59 A N T 3 S+ 0 0 152 1,-0.2 2,-0.7 2,-0.0 -1,-0.3 0.597 94.4 73.2 -76.3 -11.8 3.4 30.1 22.3 60 60 A D < + 0 0 26 -3,-1.7 -1,-0.2 1,-0.1 12,-0.0 -0.756 39.6 147.6-114.2 91.9 6.2 32.6 22.0 61 61 A L + 0 0 26 -2,-0.7 2,-0.2 -3,-0.1 -1,-0.1 -0.014 32.6 137.5-105.3 28.9 9.2 31.7 19.9 62 62 A R - 0 0 179 1,-0.1 2,-0.2 2,-0.0 10,-0.1 -0.536 63.4-104.9 -74.8 139.5 9.8 35.3 18.9 63 63 A K + 0 0 99 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.442 35.4 179.7 -66.6 134.5 13.5 36.4 18.9 64 64 A E - 0 0 81 2,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.356 42.5-120.3-115.0 0.9 14.4 38.5 21.9 65 65 A N S S+ 0 0 143 1,-0.2 2,-0.3 2,-0.1 -2,-0.1 0.945 78.0 98.4 55.8 54.8 18.0 39.0 21.0 66 66 A S S > S- 0 0 27 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.896 95.9 -80.0-152.4 175.8 19.4 37.4 24.2 67 67 A W T >> S+ 0 0 18 1,-0.3 3,-1.6 -2,-0.3 4,-0.6 0.749 119.9 74.3 -57.8 -22.9 20.7 34.0 25.3 68 68 A I H >> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 3,-0.6 0.755 79.9 74.1 -63.4 -21.1 17.1 32.8 25.6 69 69 A D H <> S+ 0 0 11 -3,-2.3 4,-2.3 1,-0.2 -1,-0.3 0.785 88.2 59.1 -62.4 -27.7 17.0 32.7 21.7 70 70 A Y H <> S+ 0 0 68 -3,-1.6 4,-1.0 -4,-0.3 -1,-0.2 0.866 108.5 45.0 -69.3 -34.2 19.2 29.6 21.8 71 71 A V H S+ 0 0 0 -4,-2.0 5,-2.3 2,-0.2 -1,-0.2 0.928 113.1 43.8 -68.7 -42.0 11.4 20.6 17.1 79 79 A K H ><5S+ 0 0 127 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.919 113.3 51.5 -66.9 -41.7 8.0 22.1 16.2 80 80 A E H 3<5S+ 0 0 116 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.760 108.7 53.2 -64.3 -26.4 9.2 22.7 12.6 81 81 A S T 3<5S- 0 0 41 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.113 124.7-101.8 -97.6 19.2 10.3 19.0 12.6 82 82 A D T < 5S+ 0 0 150 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.853 74.8 138.2 66.1 40.0 6.8 17.8 13.7 83 83 A Y < - 0 0 75 -5,-2.3 2,-0.6 -6,-0.1 -1,-0.2 -0.907 43.8-146.2-114.3 145.1 7.5 17.1 17.4 84 84 A E + 0 0 179 -2,-0.4 2,-0.3 36,-0.1 -5,-0.0 -0.950 31.2 160.2-111.4 113.3 5.2 18.0 20.2 85 85 A V - 0 0 23 -2,-0.6 2,-0.1 -10,-0.1 32,-0.0 -0.939 25.7-140.8-130.4 156.8 7.1 18.9 23.4 86 86 A G - 0 0 17 -2,-0.3 -45,-0.1 1,-0.2 -44,-0.1 -0.325 35.2 -72.5-103.8-171.2 6.1 20.9 26.5 87 87 A G E -D 40 0A 1 -47,-1.0 -47,-1.4 -2,-0.1 2,-0.3 -0.094 37.1-151.1 -78.6 178.7 7.8 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 -0.981 5.3-156.8-148.2 152.1 10.7 23.0 31.1 89 89 A K E +Df 38 44A 78 -51,-2.3 -51,-2.0 -2,-0.3 2,-0.3 -1.000 41.7 104.3-131.5 130.7 11.8 24.8 34.2 90 90 A G E -Df 37 45A 17 -46,-2.3 -44,-2.1 -2,-0.4 2,-0.4 -0.965 57.3 -78.7-176.2-165.3 15.4 24.6 35.4 91 91 A R E -Df 36 46A 96 -55,-2.3 -55,-2.2 -2,-0.3 2,-0.5 -0.960 22.4-151.7-128.8 140.7 18.9 26.0 35.8 92 92 A V E +Df 35 47A 13 -46,-3.3 -44,-3.0 -2,-0.4 -43,-0.4 -0.960 38.3 129.0-114.5 122.1 21.8 26.4 33.4 93 93 A S E +D 34 0A 31 -59,-2.7 -59,-2.5 -2,-0.5 3,-0.2 -0.497 9.6 129.0-143.2-148.1 25.3 26.2 34.8 94 94 A G - 0 0 40 -61,-0.3 -61,-0.2 -2,-0.2 -2,-0.0 -0.374 62.0 -87.8 111.2 169.4 28.6 24.5 34.1 95 95 A N S S+ 0 0 91 -63,-0.1 -62,-0.2 -2,-0.1 -1,-0.1 0.282 76.4 120.8-104.3 11.1 32.3 25.4 33.6 96 96 A L - 0 0 18 -64,-2.2 -62,-0.1 -3,-0.2 2,-0.1 -0.657 69.8-119.5 -76.4 115.6 32.4 25.9 29.8 97 97 A P > - 0 0 12 0, 0.0 3,-1.2 0, 0.0 5,-0.4 -0.309 27.9-111.7 -59.4 131.5 33.6 29.6 29.5 98 98 A L T 3 S- 0 0 46 1,-0.2 92,-0.0 2,-0.1 -3,-0.0 -0.454 89.3 -8.1 -69.8 126.6 31.1 31.8 27.7 99 99 A G T 3 S+ 0 0 20 -2,-0.3 -1,-0.2 1,-0.1 205,-0.1 0.711 88.4 128.6 63.5 24.5 32.2 33.0 24.3 100 100 A A S < S- 0 0 0 -3,-1.2 87,-0.2 90,-0.2 205,-0.1 0.463 85.8-100.7 -87.8 -0.6 35.7 31.7 24.5 101 101 A G S S+ 0 0 28 203,-0.2 204,-0.1 -4,-0.2 -3,-0.1 0.662 95.0 114.4 91.1 17.9 35.4 30.0 21.2 102 102 A L S S- 0 0 0 -5,-0.4 -93,-2.1 -92,-0.1 -73,-0.1 0.056 98.0 -90.1-106.8 23.1 34.8 26.5 22.6 103 103 A S > + 0 0 8 -95,-0.2 4,-2.3 3,-0.1 5,-0.2 0.944 57.7 170.8 68.7 58.0 31.3 26.4 21.1 104 104 A S H > S+ 0 0 23 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.905 79.4 51.9 -59.3 -41.3 29.2 27.9 23.9 105 105 A S H > S+ 0 0 26 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.947 111.8 41.4 -64.2 -52.0 26.2 28.0 21.5 106 106 A A H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.902 114.4 53.5 -64.8 -38.9 26.3 24.3 20.3 107 107 A S H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.940 115.3 40.3 -59.8 -46.1 27.0 23.1 23.8 108 108 A F H X S+ 0 0 20 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.934 116.2 48.8 -68.5 -48.3 24.0 24.9 25.1 109 109 A E H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.924 114.2 45.1 -59.3 -47.5 21.7 24.2 22.1 110 110 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.861 111.2 55.5 -66.1 -33.5 22.5 20.5 22.2 111 111 A G H X S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.3 -2,-0.2 0.911 108.9 45.8 -65.1 -43.3 22.1 20.5 26.0 112 112 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.915 112.7 51.2 -64.7 -42.4 18.6 21.9 25.7 113 113 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.920 110.9 48.0 -60.9 -43.5 17.7 19.4 23.0 114 114 A E H X S+ 0 0 10 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.870 109.2 54.2 -65.1 -38.3 19.0 16.5 25.1 115 115 A T H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.936 112.8 42.4 -61.1 -46.6 17.0 17.8 28.1 116 116 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 6,-0.3 0.885 110.4 57.6 -67.6 -38.4 13.8 17.8 26.0 117 117 A D H <>S+ 0 0 5 -4,-2.6 5,-1.7 -5,-0.2 6,-0.6 0.924 114.3 38.1 -57.7 -44.9 14.7 14.5 24.5 118 118 A K H ><5S+ 0 0 94 -4,-2.4 3,-0.5 3,-0.2 -2,-0.2 0.931 117.2 47.4 -75.0 -45.3 14.8 12.9 27.9 119 119 A L H 3<5S+ 0 0 22 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.875 124.4 32.7 -65.1 -36.8 12.0 14.6 29.6 120 120 A Y T 3<5S- 0 0 50 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.339 104.5-124.6-103.9 9.4 9.6 14.1 26.7 121 121 A N T < 5 + 0 0 115 -3,-0.5 -3,-0.2 -4,-0.4 -4,-0.1 0.900 49.5 159.2 50.8 51.3 11.0 10.7 25.6 122 122 A L < - 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