==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-NOV-04 1XXE . COMPND 2 MOLECULE: UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR B.E.COGGINS,A.L.MCCLERREN,L.JIANG,X.LI,J.RUDOLPH, . 268 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12934.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 20.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 2 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 0 2 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 0 3 1 2 2 1 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 . 1 2 0 1 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 3 A L 0 0 106 0, 0.0 117,-0.3 0, 0.0 82,-0.1 0.000 360.0 360.0 360.0 170.2 21.5 -7.6 1.2 2 4 A E - 0 0 9 115,-2.8 113,-2.8 112,-0.1 2,-0.4 -0.219 360.0-151.6 -51.8 136.8 20.4 -4.2 2.5 3 5 A K E +A 114 0A 29 78,-0.3 80,-1.7 111,-0.2 81,-1.6 -0.945 19.8 170.1-117.8 134.6 19.2 -2.0 -0.4 4 6 A T E -Ab 113 84A 7 109,-2.2 109,-3.3 -2,-0.4 2,-0.4 -0.841 41.9 -85.0-133.6 171.0 19.4 1.8 -0.5 5 7 A V E -A 112 0A 3 79,-0.5 107,-0.3 -2,-0.3 3,-0.1 -0.637 26.9-146.8 -81.9 132.7 18.9 4.5 -3.1 6 8 A K S S+ 0 0 104 105,-3.2 2,-0.3 -2,-0.4 -1,-0.2 0.954 82.6 13.3 -61.8 -49.1 22.0 5.2 -5.2 7 9 A E S S- 0 0 103 104,-0.5 -1,-0.1 -3,-0.1 19,-0.0 -0.902 96.6 -83.8-128.5 158.2 21.1 8.9 -5.6 8 10 A K - 0 0 90 -2,-0.3 2,-0.3 -3,-0.1 19,-0.2 -0.293 47.8-165.3 -58.7 138.7 18.6 11.3 -3.9 9 11 A L E -C 26 0A 12 17,-1.9 17,-3.2 -4,-0.0 2,-0.3 -0.849 8.3-176.5-123.9 161.9 15.1 11.1 -5.4 10 12 A S E -C 25 0A 50 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.993 6.0-168.2-157.9 150.0 12.1 13.4 -5.1 11 13 A F E -C 24 0A 26 13,-2.2 13,-2.3 -2,-0.3 2,-0.3 -0.943 3.0-163.1-137.5 160.5 8.4 13.6 -6.2 12 14 A E E +C 23 0A 128 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.994 28.2 117.2-147.1 138.9 5.7 16.3 -6.2 13 15 A G E -C 22 0A 16 9,-2.3 9,-1.5 -2,-0.3 7,-0.1 -0.904 58.2 -77.9 172.2 158.6 1.9 16.1 -6.6 14 16 A V E -C 21 0A 51 -2,-0.3 82,-2.5 7,-0.2 83,-0.8 -0.253 47.9-110.6 -69.5 161.5 -1.4 16.8 -4.9 15 17 A G > - 0 0 0 5,-1.3 4,-1.8 80,-0.3 -1,-0.1 -0.735 16.9-131.7 -95.3 140.3 -2.8 14.4 -2.2 16 18 A I T 4 S+ 0 0 15 78,-0.5 179,-3.4 -2,-0.3 180,-1.0 0.951 103.9 21.3 -57.6 -52.9 -5.9 12.3 -3.0 17 19 A H T 4 S+ 0 0 20 176,-0.3 177,-1.3 178,-0.2 -1,-0.2 0.872 130.8 44.0 -86.6 -37.7 -7.9 13.1 0.2 18 20 A T T 4 S- 0 0 39 176,-0.1 -2,-0.2 175,-0.1 -1,-0.1 0.878 84.3-155.7 -75.0 -35.3 -6.1 16.3 1.3 19 21 A G < + 0 0 28 -4,-1.8 2,-0.3 1,-0.2 -3,-0.1 0.823 51.4 126.1 65.0 26.5 -6.1 17.7 -2.3 20 22 A E S S- 0 0 115 -7,-0.1 -5,-1.3 -5,-0.0 2,-0.3 -0.855 70.9 -99.7-116.1 152.6 -3.1 19.9 -1.3 21 23 A Y E +C 14 0A 141 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.528 49.2 172.4 -71.8 129.6 0.3 20.1 -3.0 22 24 A S E -C 13 0A 1 -9,-1.5 -9,-2.3 -2,-0.3 2,-0.3 -0.952 16.6-158.6-135.9 156.4 2.9 17.9 -1.3 23 25 A K E -CD 12 90A 56 67,-1.8 67,-2.7 -2,-0.3 2,-0.4 -0.982 3.4-156.1-135.5 148.3 6.5 16.9 -2.1 24 26 A L E -CD 11 89A 2 -13,-2.3 -13,-2.2 -2,-0.3 2,-0.4 -0.963 2.7-164.7-126.2 143.9 8.6 14.0 -1.0 25 27 A I E -CD 10 88A 28 63,-2.3 63,-3.2 -2,-0.4 2,-0.5 -0.983 5.6-159.2-126.2 134.2 12.4 13.7 -0.9 26 28 A I E +CD 9 87A 5 -17,-3.2 -17,-1.9 -2,-0.4 61,-0.2 -0.943 11.7 179.9-116.8 130.2 14.3 10.3 -0.4 27 29 A H E - D 0 86A 74 59,-1.5 59,-2.2 -2,-0.5 -22,-0.1 -0.918 33.1 -99.6-126.1 154.0 17.9 10.2 0.8 28 30 A P E - D 0 85A 60 0, 0.0 2,-0.2 0, 0.0 57,-0.2 -0.272 41.1-168.2 -66.7 154.2 20.2 7.2 1.4 29 31 A E - 0 0 66 55,-0.5 2,-0.2 -24,-0.0 55,-0.1 -0.717 28.7 -76.8-133.6-174.3 20.7 5.9 5.0 30 32 A K > - 0 0 157 -2,-0.2 3,-1.3 1,-0.1 4,-0.3 -0.598 61.3 -85.4 -87.6 149.4 22.9 3.5 7.0 31 33 A E T 3 S+ 0 0 56 1,-0.3 -1,-0.1 -2,-0.2 53,-0.0 -0.081 116.5 21.1 -47.7 152.2 22.4 -0.3 6.7 32 34 A G T 3 S+ 0 0 52 1,-0.1 -1,-0.3 -3,-0.1 52,-0.1 0.741 89.0 121.2 59.8 20.6 19.8 -1.6 9.1 33 35 A T < - 0 0 34 -3,-1.3 51,-0.2 1,-0.1 2,-0.1 0.922 56.7-156.8 -80.7 -43.0 18.2 1.9 9.3 34 36 A G E -e 84 0A 23 49,-1.3 51,-2.0 -4,-0.3 2,-0.6 -0.484 34.9 -45.3 97.5-172.1 14.8 0.9 8.1 35 37 A I E +e 85 0A 11 49,-0.2 11,-2.5 11,-0.2 2,-0.4 -0.857 65.6 168.4 -99.6 121.4 12.1 3.0 6.4 36 38 A R E -eF 86 45A 76 49,-1.9 51,-2.1 -2,-0.6 2,-0.3 -0.986 25.2-142.1-135.6 146.0 11.6 6.4 8.2 37 39 A F E -eF 87 44A 0 7,-1.9 7,-3.3 -2,-0.4 2,-0.4 -0.760 15.0-160.1-102.7 150.0 9.7 9.6 7.3 38 40 A F E +eF 88 43A 43 49,-1.6 51,-1.8 -2,-0.3 2,-0.3 -0.988 21.4 147.3-132.3 138.7 10.9 13.1 8.3 39 41 A K E > + F 0 42A 34 3,-1.7 3,-1.4 -2,-0.4 51,-0.1 -0.931 66.3 7.3-167.2 141.3 9.0 16.3 8.5 40 42 A N T 3 S- 0 0 120 -2,-0.3 3,-0.1 1,-0.3 50,-0.0 0.832 130.3 -59.1 54.2 29.5 9.1 19.5 10.6 41 43 A G T 3 S+ 0 0 50 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.845 114.1 120.5 70.6 30.1 12.4 18.2 12.1 42 44 A V E < -F 39 0A 26 -3,-1.4 -3,-1.7 2,-0.0 2,-0.3 -0.977 54.3-146.2-130.9 125.2 10.6 15.1 13.4 43 45 A Y E -F 38 0A 130 -2,-0.4 -5,-0.2 -5,-0.2 45,-0.0 -0.687 13.3-171.5 -88.5 139.2 11.5 11.5 12.4 44 46 A I E -F 37 0A 0 -7,-3.3 -7,-1.9 -2,-0.3 -2,-0.0 -0.781 16.7-140.6-134.5 94.2 8.6 9.0 12.2 45 47 A P E -F 36 0A 44 0, 0.0 2,-1.2 0, 0.0 -9,-0.2 -0.094 20.2-122.6 -48.7 144.4 9.6 5.3 11.7 46 48 A A + 0 0 3 -11,-2.5 2,-0.3 14,-0.1 -11,-0.2 -0.655 61.5 126.8 -95.6 84.9 7.2 3.5 9.3 47 49 A R S > S- 0 0 97 -2,-1.2 3,-1.8 1,-0.1 4,-0.2 -0.960 70.6-111.8-136.3 154.9 5.9 0.5 11.4 48 50 A H G > S+ 0 0 11 187,-0.6 3,-4.8 -2,-0.3 -1,-0.1 0.949 116.3 64.2 -50.5 -50.1 2.4 -0.7 12.2 49 51 A E G 3 S+ 0 0 148 1,-0.3 -1,-0.3 186,-0.1 -3,-0.0 0.841 97.0 58.9 -44.0 -32.5 2.9 0.3 15.9 50 52 A F G < S+ 0 0 45 -3,-1.8 11,-1.4 185,-0.1 2,-0.4 0.475 75.7 125.8 -79.7 3.3 3.1 3.9 14.4 51 53 A V E < +G 60 0B 28 -3,-4.8 9,-0.2 -4,-0.2 3,-0.1 -0.450 25.9 163.6 -63.2 118.1 -0.4 3.4 13.0 52 54 A V E + 0 0 74 7,-1.8 2,-0.3 -2,-0.4 -1,-0.2 0.703 65.9 15.0-109.1 -29.2 -2.4 6.3 14.3 53 55 A H E -G 59 0B 69 6,-1.3 6,-1.7 2,-0.0 2,-0.4 -0.931 62.8-167.5-150.2 123.4 -5.5 6.3 12.0 54 56 A T E +G 58 0B 40 -2,-0.3 2,-0.2 4,-0.2 4,-0.2 -0.910 32.8 116.2-112.4 136.8 -6.7 3.5 9.7 55 57 A N S S- 0 0 62 2,-2.3 196,-0.2 -2,-0.4 197,-0.1 -0.830 86.0 -28.2-166.7-154.3 -9.4 4.1 7.1 56 58 A H S S+ 0 0 97 -2,-0.2 2,-0.3 195,-0.1 -2,-0.0 0.708 137.7 35.6 -50.8 -10.0 -9.8 4.1 3.3 57 59 A S S S- 0 0 8 14,-0.0 -2,-2.3 12,-0.0 2,-0.6 -0.906 90.1-112.7-137.8 166.8 -6.1 5.0 3.6 58 60 A T E -G 54 0B 1 -2,-0.3 12,-1.7 -4,-0.2 2,-0.4 -0.893 34.8-174.1-105.4 122.0 -3.2 4.1 6.0 59 61 A D E -G 53 0B 5 -6,-1.7 -7,-1.8 -2,-0.6 -6,-1.3 -0.935 7.6-172.0-120.3 140.9 -1.9 7.0 8.2 60 62 A L E +GH 51 67B 0 7,-1.7 7,-3.1 -2,-0.4 2,-0.3 -0.887 11.1 166.4-123.0 154.9 1.1 7.1 10.6 61 63 A G E - H 0 66B 10 -11,-1.4 2,-0.3 -2,-0.3 5,-0.3 -0.924 10.0-178.3-169.2 141.6 2.0 9.9 13.0 62 64 A F E > + H 0 65B 106 3,-0.7 3,-2.2 -2,-0.3 -2,-0.0 -0.995 69.1 13.3-144.4 150.7 4.3 10.5 16.0 63 65 A K T 3 S- 0 0 163 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.806 136.2 -51.3 57.0 27.8 5.1 13.4 18.4 64 66 A G T 3 S+ 0 0 82 1,-0.3 2,-0.3 -3,-0.0 -1,-0.3 0.490 115.1 120.1 89.4 1.0 1.9 15.1 17.1 65 67 A Q E < -H 62 0B 33 -3,-2.2 -3,-0.7 -26,-0.0 2,-0.3 -0.778 41.1-173.0 -99.8 144.0 3.0 14.7 13.4 66 68 A R E -H 61 0B 115 -2,-0.3 2,-0.4 -5,-0.3 -5,-0.3 -0.984 13.2-167.3-138.5 149.9 0.8 12.7 11.0 67 69 A I E -H 60 0B 0 -7,-3.1 -7,-1.7 -2,-0.3 2,-0.3 -0.998 12.2-152.1-135.3 134.5 1.0 11.4 7.4 68 70 A K B +i 93 0C 51 24,-1.7 26,-2.1 -2,-0.4 -9,-0.2 -0.758 69.2 17.9-107.9 156.4 -1.9 10.0 5.3 69 71 A T + 0 0 4 -2,-0.3 4,-0.3 24,-0.2 25,-0.3 0.982 68.7 143.5 53.0 68.8 -1.8 7.5 2.4 70 72 A V > + 0 0 0 -12,-1.7 4,-1.8 -3,-0.2 5,-0.1 0.448 50.6 81.4-113.1 -5.2 1.7 6.0 3.1 71 73 A E H > S+ 0 0 1 -13,-0.4 4,-2.7 2,-0.2 5,-0.2 0.899 84.8 60.1 -68.5 -39.2 0.8 2.4 2.2 72 74 A H H > S+ 0 0 14 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.981 110.6 38.2 -54.6 -60.7 1.2 3.0 -1.6 73 75 A I H > S+ 0 0 2 -4,-0.3 4,-2.6 1,-0.2 5,-0.2 0.944 115.1 55.3 -58.1 -43.6 4.9 4.0 -1.4 74 76 A L H X S+ 0 0 2 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.892 103.7 56.6 -57.3 -35.8 5.5 1.3 1.3 75 77 A S H X S+ 0 0 0 -4,-2.7 4,-2.2 -3,-0.3 5,-0.2 0.970 108.1 45.0 -62.3 -50.3 4.0 -1.2 -1.2 76 78 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.973 113.0 51.2 -57.9 -51.2 6.6 -0.3 -3.9 77 79 A L H X>S+ 0 0 4 -4,-2.6 5,-1.6 1,-0.2 4,-1.2 0.928 107.3 55.0 -51.8 -45.4 9.4 -0.3 -1.3 78 80 A H H ><5S+ 0 0 8 -4,-2.7 3,-0.8 -5,-0.2 -1,-0.2 0.952 110.0 44.3 -54.9 -51.7 8.2 -3.8 -0.2 79 81 A L H 3<5S+ 0 0 23 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.885 116.0 47.4 -63.3 -37.2 8.5 -5.3 -3.7 80 82 A L H 3<5S- 0 0 21 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.586 108.0-126.8 -82.1 -6.8 11.9 -3.6 -4.3 81 83 A E T <<5 + 0 0 75 -4,-1.2 2,-0.5 -3,-0.8 -78,-0.3 0.976 38.8 179.5 62.8 54.0 13.2 -4.8 -0.9 82 84 A I < + 0 0 3 -5,-1.6 -1,-0.2 1,-0.2 -78,-0.2 -0.757 12.6 169.2 -90.0 126.5 14.3 -1.4 0.4 83 85 A T + 0 0 14 -80,-1.7 -49,-1.3 -2,-0.5 2,-0.5 0.693 64.6 38.1-109.8 -26.9 15.8 -1.5 3.9 84 86 A N E S+be 4 34A 0 -81,-1.6 -55,-0.5 -51,-0.2 -79,-0.5 -0.916 70.4 126.2-131.3 112.7 17.4 1.9 4.4 85 87 A V E -De 28 35A 2 -51,-2.0 -49,-1.9 -2,-0.5 2,-0.8 -0.916 41.7-146.2-164.0 134.9 15.7 5.1 3.2 86 88 A T E -De 27 36A 6 -59,-2.2 -59,-1.5 -2,-0.3 2,-1.0 -0.856 17.0-166.3-106.0 103.8 14.7 8.5 4.7 87 89 A I E -De 26 37A 2 -51,-2.1 -49,-1.6 -2,-0.8 2,-0.6 -0.751 6.7-156.2 -92.4 103.9 11.6 9.8 3.0 88 90 A E E -De 25 38A 52 -63,-3.2 -63,-2.3 -2,-1.0 2,-0.8 -0.652 8.5-158.4 -78.8 120.5 11.1 13.4 3.9 89 91 A V E -D 24 0A 0 -51,-1.8 2,-0.9 -2,-0.6 -65,-0.2 -0.833 5.2-164.4-105.2 105.8 7.4 14.2 3.5 90 92 A I E +D 23 0A 85 -67,-2.7 -67,-1.8 -2,-0.8 2,-0.3 -0.743 65.8 20.8 -87.9 109.8 6.7 17.9 3.0 91 93 A G S S- 0 0 17 -2,-0.9 -69,-0.1 -69,-0.2 3,-0.1 -0.922 101.6 -73.1 132.3-159.8 2.9 18.3 3.6 92 94 A N S S+ 0 0 81 -2,-0.3 -24,-1.7 1,-0.2 2,-0.3 0.514 105.6 27.3-114.7 -10.1 0.3 16.2 5.4 93 95 A E B S-i 68 0C 1 -26,-0.2 -1,-0.2 -3,-0.2 -24,-0.2 -0.998 84.2 -96.6-152.0 155.3 -0.1 13.3 2.9 94 96 A I - 0 0 4 -26,-2.1 -78,-0.5 -2,-0.3 -22,-0.1 -0.574 53.3-102.4 -73.2 124.6 1.8 11.4 0.2 95 97 A P - 0 0 4 0, 0.0 -80,-0.3 0, 0.0 -81,-0.2 -0.101 23.8-148.8 -45.8 134.5 1.0 12.7 -3.4 96 98 A I > + 0 0 6 -82,-2.5 3,-1.6 1,-0.2 4,-0.2 0.809 28.3 172.9 -80.4 -29.5 -1.4 10.4 -5.2 97 99 A L T 3 S- 0 0 24 -83,-0.8 -1,-0.2 1,-0.3 4,-0.1 -0.343 73.8 -14.7 57.6-126.1 0.0 11.2 -8.7 98 100 A D T 3 S- 0 0 60 2,-0.2 -1,-0.3 -2,-0.1 3,-0.1 0.767 99.9-104.0 -80.7 -24.0 -1.7 8.8 -11.1 99 101 A G S < S+ 0 0 0 -3,-1.6 78,-1.8 1,-0.5 2,-0.2 0.285 93.1 79.9 118.5 -8.7 -3.0 6.5 -8.4 100 102 A S S S- 0 0 7 76,-0.3 -1,-0.5 -4,-0.2 4,-0.2 -0.497 80.8-119.5-116.4-171.3 -0.5 3.7 -8.8 101 103 A G S > S+ 0 0 0 72,-1.8 4,-3.4 -2,-0.2 5,-0.4 0.419 83.1 104.7-109.8 -2.6 3.2 3.1 -7.7 102 104 A W H > S+ 0 0 67 71,-1.4 4,-2.9 1,-0.2 5,-0.2 0.882 79.6 54.2 -46.6 -41.8 4.5 2.7 -11.3 103 105 A E H > S+ 0 0 94 2,-0.2 4,-2.3 1,-0.2 5,-0.4 0.973 114.3 37.9 -61.7 -52.2 6.0 6.2 -10.9 104 106 A F H >>S+ 0 0 4 1,-0.2 4,-2.1 -4,-0.2 5,-0.5 0.939 119.9 48.7 -64.8 -43.3 7.9 5.5 -7.7 105 107 A Y H X5S+ 0 0 20 -4,-3.4 4,-1.3 3,-0.2 -1,-0.2 0.874 111.6 51.4 -63.7 -36.8 8.8 1.9 -9.0 106 108 A E H X5S+ 0 0 85 -4,-2.9 4,-0.8 -5,-0.4 -2,-0.2 0.964 118.8 32.0 -68.4 -52.6 9.9 3.4 -12.3 107 109 A A H >X5S+ 0 0 35 -4,-2.3 3,-0.8 -5,-0.2 4,-0.6 0.961 122.5 46.5 -72.7 -50.9 12.3 6.0 -11.1 108 110 A I H ><5S+ 0 0 2 -4,-2.1 3,-2.2 -5,-0.4 4,-0.2 0.931 104.9 61.2 -59.4 -43.2 13.5 4.2 -7.9 109 111 A R H >< +K 135 0E 78 3,-2.1 3,-2.6 -2,-0.4 121,-0.1 -0.922 58.9 16.6-174.2 148.0 -14.7 -8.6 10.9 133 135 A E T 3 S- 0 0 134 1,-0.3 3,-0.1 -2,-0.3 120,-0.0 0.786 127.6 -61.9 56.8 24.8 -17.1 -6.2 9.2 134 136 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 115,-0.0 2,-0.2 0.643 119.8 110.6 76.7 10.4 -18.3 -9.2 7.0 135 137 A R E < -K 132 0E 81 -3,-2.6 -3,-2.1 2,-0.0 -1,-0.3 -0.657 47.7-170.2-109.3 169.6 -14.7 -9.3 5.7 136 138 A L E -KL 131 247E 49 111,-1.8 111,-2.7 -5,-0.2 2,-0.3 -0.992 9.8-172.3-159.5 152.4 -12.1 -12.0 6.4 137 139 A I E -KL 130 246E 1 -7,-1.6 -7,-2.3 -2,-0.3 2,-0.4 -0.994 5.8-163.8-148.7 139.9 -8.4 -12.7 5.9 138 140 A K E -KL 129 245E 68 107,-2.3 107,-3.0 -2,-0.3 2,-0.4 -0.971 2.0-161.4-128.1 142.7 -6.2 -15.8 6.5 139 141 A A E -KL 128 244E 0 -11,-2.4 -11,-1.6 -2,-0.4 105,-0.2 -0.929 9.0-178.5-121.0 144.9 -2.4 -16.2 6.7 140 142 A E E - 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