==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-FEB-08 3C9S . COMPND 2 MOLECULE: THIAMINE MONOPHOSPHATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR K.M.MCCULLOCH,C.KINSLAND,T.P.BEGLEY,S.E.EALICK . 606 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 434 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 18.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 2 0.3 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 . 32 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.5 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 2 0 0 4 0 1 3 4 2 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 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 PARALLEL BRIDGES PER LADDER . 3 1 0 6 4 0 0 0 2 2 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 2 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 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 G 0 0 131 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.2 34.6 32.5 149.1 2 -2 A S - 0 0 109 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.630 360.0-138.6-125.7 -33.5 31.9 34.8 150.4 3 -1 A F + 0 0 204 1,-0.2 2,-0.3 2,-0.0 0, 0.0 0.823 26.9 174.3 67.9 109.3 28.8 34.4 148.2 4 0 A T - 0 0 68 400,-0.0 -1,-0.2 401,-0.0 -2,-0.1 -0.978 41.5 -97.3-146.9 131.7 27.0 37.6 147.3 5 1 A M - 0 0 83 -2,-0.3 399,-2.4 398,-0.1 400,-0.4 -0.268 45.4-158.1 -52.1 124.1 24.1 38.0 144.9 6 2 A R B >> -A 403 0A 83 397,-0.2 4,-1.6 398,-0.1 3,-1.1 -0.712 30.5-106.2-107.4 159.9 25.4 39.2 141.6 7 3 A L H 3> S+ 0 0 14 395,-2.6 4,-2.8 1,-0.3 394,-0.2 0.870 117.5 63.1 -46.9 -43.7 23.7 40.9 138.7 8 4 A K H 34 S+ 0 0 132 392,-2.7 -1,-0.3 1,-0.2 393,-0.1 0.891 104.3 46.2 -51.3 -44.4 23.8 37.7 136.7 9 5 A E H <4 S+ 0 0 141 -3,-1.1 -1,-0.2 391,-0.2 -2,-0.2 0.890 111.8 51.5 -67.6 -39.8 21.6 36.0 139.2 10 6 A L H < S- 0 0 46 -4,-1.6 4,-0.3 1,-0.1 -2,-0.2 0.898 102.4-144.1 -65.7 -40.4 19.2 38.9 139.4 11 7 A G X - 0 0 31 -4,-2.8 4,-2.2 -5,-0.2 5,-0.2 0.096 26.0 -76.2 89.4 153.0 18.7 39.1 135.6 12 8 A E H > S+ 0 0 102 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.927 129.8 37.6 -49.3 -60.5 18.2 42.1 133.4 13 9 A F H > S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.756 112.5 59.1 -69.2 -24.3 14.6 42.9 134.2 14 10 A G H > S+ 0 0 24 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.901 107.5 47.4 -69.6 -38.3 15.0 42.0 137.8 15 11 A L H X S+ 0 0 6 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.928 109.2 52.3 -67.3 -46.1 17.7 44.7 138.0 16 12 A I H X S+ 0 0 60 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.904 108.5 52.0 -56.9 -41.6 15.6 47.3 136.3 17 13 A D H X S+ 0 0 72 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.919 109.6 49.2 -60.8 -43.3 12.8 46.5 138.8 18 14 A L H X S+ 0 0 35 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.907 112.2 48.2 -61.8 -43.1 15.2 47.1 141.6 19 15 A I H X S+ 0 0 12 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.939 110.9 51.0 -63.3 -45.9 16.4 50.4 140.0 20 16 A K H <>S+ 0 0 59 -4,-3.0 5,-2.6 1,-0.2 4,-0.5 0.890 114.5 43.2 -58.4 -43.5 12.7 51.5 139.5 21 17 A K H ><5S+ 0 0 127 -4,-2.5 3,-1.1 2,-0.2 -2,-0.2 0.931 110.8 53.4 -70.3 -45.8 11.9 50.7 143.2 22 18 A T H 3<5S+ 0 0 19 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.871 115.2 42.8 -56.3 -35.7 15.1 52.3 144.6 23 19 A L T 3<5S- 0 0 24 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.562 103.5-134.2 -85.4 -10.9 14.2 55.4 142.6 24 20 A E T < 5 + 0 0 144 -3,-1.1 2,-0.2 -4,-0.5 -3,-0.2 0.893 47.2 174.3 55.5 37.4 10.5 55.1 143.6 25 21 A S < - 0 0 12 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.547 33.7-178.0 -82.8 141.1 10.0 55.8 140.0 26 22 A K S S+ 0 0 198 -2,-0.2 -1,-0.1 -3,-0.1 400,-0.1 0.660 81.7 53.1-106.4 -23.7 6.5 55.8 138.3 27 23 A V S > S+ 0 0 38 -7,-0.1 3,-0.7 2,-0.1 5,-0.1 0.824 81.1 101.7 -82.2 -34.5 7.6 56.5 134.7 28 24 A I T 3 + 0 0 20 1,-0.2 399,-0.1 -8,-0.1 3,-0.1 -0.223 57.4 66.4 -54.7 135.9 10.3 53.8 134.2 29 25 A G T 3 S+ 0 0 28 1,-0.5 -1,-0.2 3,-0.1 2,-0.2 0.087 76.3 84.3 142.5 -29.1 9.1 50.8 132.2 30 26 A D S < S- 0 0 27 -3,-0.7 -1,-0.5 2,-0.4 115,-0.1 -0.493 90.1 -96.9-100.9 173.1 8.4 51.8 128.6 31 27 A D S S+ 0 0 11 -2,-0.2 15,-0.3 44,-0.1 2,-0.3 0.808 111.5 19.9 -54.9 -30.2 10.7 52.2 125.6 32 28 A T S S- 0 0 5 43,-0.1 -2,-0.4 13,-0.1 13,-0.2 -0.820 79.4-118.5-133.8 171.2 10.8 55.9 126.4 33 29 A A E -B 44 0B 4 11,-2.3 11,-2.5 -2,-0.3 2,-0.4 -0.951 27.3-148.8-117.9 109.9 10.2 58.2 129.5 34 30 A P E -B 43 0B 19 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.642 15.7-174.1 -81.4 130.1 7.3 60.7 128.9 35 31 A V E -B 42 0B 8 7,-2.7 7,-2.9 -2,-0.4 2,-0.4 -0.983 26.5-117.8-127.1 137.8 7.7 64.0 130.8 36 32 A E E +B 41 0B 135 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.581 46.6 152.3 -75.0 126.9 5.1 66.8 130.9 37 33 A Y E > -B 40 0B 20 3,-2.8 3,-1.4 -2,-0.4 -2,-0.1 -0.838 62.5 -14.8-161.7 118.4 6.3 70.0 129.3 38 34 A a T 3 S- 0 0 48 -2,-0.3 3,-0.1 1,-0.3 306,-0.1 0.937 120.7 -54.5 53.6 59.4 4.4 72.8 127.7 39 35 A S T 3 S+ 0 0 129 1,-0.2 -1,-0.3 102,-0.0 2,-0.2 0.436 129.4 79.0 60.7 -3.2 1.0 71.1 127.2 40 36 A K E < S-B 37 0B 64 -3,-1.4 -3,-2.8 -5,-0.0 2,-0.4 -0.615 81.5-113.0-121.1-177.9 2.9 68.4 125.4 41 37 A K E -BC 36 140B 53 99,-2.3 99,-2.0 -5,-0.2 2,-0.3 -0.984 17.8-150.5-124.2 129.9 5.0 65.4 126.4 42 38 A L E -BC 35 139B 1 -7,-2.9 -7,-2.7 -2,-0.4 2,-0.5 -0.755 14.2-142.5 -94.4 144.9 8.8 65.1 125.8 43 39 A L E -BC 34 138B 0 95,-2.7 95,-2.3 -2,-0.3 2,-0.4 -0.945 13.5-167.2-114.4 118.9 10.1 61.6 125.4 44 40 A L E +BC 33 137B 2 -11,-2.5 -11,-2.3 -2,-0.5 2,-0.3 -0.889 20.9 149.0-106.4 134.7 13.5 60.7 126.9 45 41 A T E - C 0 136B 9 91,-1.8 91,-2.9 -2,-0.4 2,-0.3 -0.990 23.3-161.5-159.2 159.0 15.3 57.5 125.9 46 42 A T E - C 0 135B 3 382,-0.4 2,-0.3 -2,-0.3 89,-0.2 -0.996 5.3-178.3-151.0 142.7 18.7 55.9 125.4 47 43 A D E - C 0 134B 29 87,-1.6 87,-2.7 -2,-0.3 2,-0.3 -0.896 15.1-141.8-133.2 163.1 20.2 52.9 123.6 48 44 A V E - C 0 133B 11 -2,-0.3 2,-0.4 85,-0.2 85,-0.2 -0.948 10.5-166.4-132.6 150.8 23.7 51.5 123.4 49 45 A L E - C 0 132B 5 83,-2.5 83,-1.9 -2,-0.3 2,-0.4 -0.953 17.1-170.3-135.2 111.8 25.9 49.8 120.7 50 46 A N E >>> - C 0 131B 17 -2,-0.4 4,-2.6 81,-0.2 3,-2.4 -0.899 28.9-107.9-111.4 135.1 29.1 48.2 122.0 51 47 A E B 345S+f 55 0C 22 79,-2.8 5,-0.2 -2,-0.4 78,-0.1 -0.237 107.6 22.2 -54.5 137.8 32.0 46.9 119.9 52 48 A G T 345S+ 0 0 44 3,-3.1 -1,-0.3 1,-0.1 4,-0.1 0.271 126.2 55.3 86.2 -13.4 32.0 43.1 119.9 53 49 A V T <45S+ 0 0 97 -3,-2.4 -2,-0.2 2,-0.3 -1,-0.1 0.737 123.9 10.1-115.7 -52.0 28.3 43.0 120.9 54 50 A H T <5S- 0 0 56 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.440 132.5 -0.4-110.9 -2.1 26.3 45.0 118.4 55 51 A F B < -f 51 0C 7 -5,-0.7 -3,-3.1 4,-0.0 -2,-0.3 -0.974 63.0-119.3-174.1 164.8 29.0 45.5 115.7 56 52 A L > - 0 0 86 -2,-0.3 3,-2.1 -5,-0.2 -5,-0.0 -0.851 30.3-118.0-114.7 153.5 32.6 44.9 114.8 57 53 A R T 3 S+ 0 0 72 -2,-0.3 -1,-0.1 1,-0.3 -6,-0.0 0.750 115.6 63.5 -61.4 -21.1 35.2 47.5 114.1 58 54 A S T 3 S+ 0 0 101 2,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.628 79.8 107.5 -77.4 -13.7 35.4 46.1 110.6 59 55 A Y S < S- 0 0 36 -3,-2.1 5,-0.0 1,-0.1 -4,-0.0 -0.323 92.1 -90.0 -63.0 146.6 31.8 47.1 110.0 60 56 A I >> - 0 0 98 1,-0.1 4,-1.5 2,-0.1 3,-0.7 -0.439 38.2-142.1 -60.0 119.6 31.3 50.1 107.6 61 57 A P H 3> S+ 0 0 7 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.844 95.2 57.2 -54.8 -42.3 31.3 53.1 110.0 62 58 A E H 3> S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.844 107.3 50.3 -61.3 -31.7 28.7 55.2 108.3 63 59 A A H <> S+ 0 0 15 -3,-0.7 4,-3.0 2,-0.2 -1,-0.2 0.885 107.8 52.7 -72.4 -38.5 26.2 52.3 108.7 64 60 A V H X S+ 0 0 7 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.881 111.2 47.6 -63.3 -37.7 27.1 52.0 112.4 65 61 A G H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 5,-0.2 0.922 111.2 49.9 -69.3 -43.4 26.3 55.8 112.7 66 62 A W H X S+ 0 0 8 -4,-2.2 4,-2.8 1,-0.2 3,-0.2 0.962 114.1 46.2 -57.7 -50.0 23.1 55.4 110.8 67 63 A K H X S+ 0 0 9 -4,-3.0 4,-3.1 123,-0.3 5,-0.3 0.855 104.8 59.3 -61.2 -40.8 22.1 52.5 113.1 68 64 A A H X S+ 0 0 2 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.913 114.5 37.7 -58.0 -42.3 23.0 54.2 116.3 69 65 A I H >X S+ 0 0 3 -4,-1.7 4,-2.4 -3,-0.2 3,-0.5 0.953 116.9 51.0 -72.8 -50.0 20.6 56.9 115.6 70 66 A S H 3X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.898 103.7 58.3 -51.9 -50.6 17.9 54.7 114.0 71 67 A V H 3X S+ 0 0 2 -4,-3.1 4,-0.7 1,-0.2 -1,-0.2 0.855 113.8 37.3 -50.9 -41.3 17.9 52.2 116.9 72 68 A N H S+ 0 0 0 -4,-1.5 5,-2.5 1,-0.2 3,-0.5 0.906 112.4 44.9 -61.1 -44.2 10.6 57.3 120.2 77 73 A I H ><5S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 -1,-0.2 0.883 107.0 59.7 -66.7 -40.8 8.4 56.4 117.3 78 74 A A H 3<5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.745 105.6 49.4 -61.0 -24.8 7.1 53.3 119.0 79 75 A N T 3<5S- 0 0 0 -4,-1.0 65,-2.0 -3,-0.5 -1,-0.3 0.120 128.6 -95.4-101.1 19.1 5.7 55.5 121.8 80 76 A G T < 5S+ 0 0 0 -3,-2.1 62,-0.4 1,-0.2 61,-0.3 0.687 83.4 121.2 79.6 22.1 4.0 57.9 119.4 81 77 A G < - 0 0 0 -5,-2.5 -1,-0.2 -6,-0.2 59,-0.2 -0.730 56.6-128.2-121.2 168.6 6.7 60.6 119.1 82 78 A L E -D 139 0B 84 57,-2.5 57,-2.1 -2,-0.2 -39,-0.2 -0.927 34.8-113.2-110.9 133.0 8.9 62.4 116.7 83 79 A P E +D 138 0B 4 0, 0.0 55,-0.3 0, 0.0 3,-0.1 -0.322 41.6 161.6 -64.7 144.9 12.7 62.7 117.3 84 80 A K E + 0 0 73 53,-2.3 34,-1.4 1,-0.4 2,-0.3 0.625 55.6 8.1-128.3 -62.5 14.1 66.2 118.0 85 81 A W E -De 137 118B 22 52,-1.9 52,-3.2 32,-0.2 -1,-0.4 -0.962 57.4-175.7-132.5 148.9 17.5 66.3 119.7 86 82 A A E -De 136 119B 1 32,-2.5 34,-2.2 -2,-0.3 35,-0.8 -0.975 11.5-159.1-143.3 154.7 20.2 63.7 120.4 87 83 A L E -De 135 121B 2 48,-2.3 48,-2.5 -2,-0.3 2,-0.5 -0.936 11.9-150.6-127.9 151.3 23.5 63.5 122.2 88 84 A I E -De 134 122B 0 33,-1.5 35,-1.9 -2,-0.3 2,-0.6 -0.961 2.3-160.9-129.9 117.0 26.1 60.8 121.6 89 85 A S E -De 133 123B 0 44,-3.4 44,-2.8 -2,-0.5 2,-0.5 -0.860 16.4-163.0 -97.2 121.1 28.5 59.6 124.3 90 86 A L E -De 132 124B 3 33,-3.1 35,-2.5 -2,-0.6 2,-0.7 -0.898 19.0-162.4-113.0 129.5 31.5 57.8 122.8 91 87 A N E -De 131 125B 9 40,-2.6 40,-2.2 -2,-0.5 35,-0.2 -0.935 31.2-177.7-102.3 112.0 34.1 55.5 124.5 92 88 A L E - e 0 126B 5 33,-3.5 35,-1.5 -2,-0.7 2,-0.3 -0.918 28.6-129.3-122.9 141.0 37.0 55.5 122.0 93 89 A P > - 0 0 1 0, 0.0 3,-1.7 0, 0.0 220,-0.3 -0.635 24.6-128.6 -81.5 141.1 40.4 53.7 121.9 94 90 A E T 3 S+ 0 0 96 -2,-0.3 220,-2.6 33,-0.3 221,-0.3 0.646 106.0 61.2 -65.6 -12.3 43.3 56.1 121.1 95 91 A D T 3 S+ 0 0 80 218,-0.2 -1,-0.3 217,-0.1 3,-0.1 0.565 77.6 116.1 -89.4 -10.0 44.4 53.8 118.3 96 92 A L S < S- 0 0 0 -3,-1.7 217,-2.2 1,-0.1 2,-0.2 -0.283 75.5-103.1 -63.0 143.9 41.2 54.2 116.3 97 93 A E B >> -G 312 0D 56 215,-0.2 4,-1.2 1,-0.1 3,-1.2 -0.458 17.9-136.4 -69.3 135.6 41.4 55.9 112.9 98 94 A V H 3> S+ 0 0 15 213,-2.5 4,-2.4 1,-0.3 5,-0.2 0.897 106.3 60.6 -57.4 -40.1 40.2 59.5 112.8 99 95 A S H 3> S+ 0 0 50 212,-0.4 4,-2.3 1,-0.2 -1,-0.3 0.755 96.5 61.4 -59.9 -26.5 38.4 58.7 109.6 100 96 A Y H <> S+ 0 0 16 -3,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.978 107.8 41.2 -64.4 -54.6 36.4 56.1 111.4 101 97 A V H X S+ 0 0 2 -4,-1.2 4,-2.5 1,-0.2 5,-0.2 0.928 114.5 52.8 -58.2 -47.1 34.8 58.6 113.8 102 98 A E H X S+ 0 0 66 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.904 112.8 43.9 -55.3 -44.7 34.4 61.1 110.9 103 99 A R H X S+ 0 0 99 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.816 107.9 59.0 -72.0 -31.8 32.6 58.5 108.8 104 100 A F H X S+ 0 0 4 -4,-2.3 4,-1.8 1,-0.2 3,-0.2 0.964 109.1 45.3 -58.8 -50.1 30.5 57.4 111.8 105 101 A Y H X S+ 0 0 6 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.709 104.7 60.8 -68.4 -21.0 29.2 60.9 112.1 106 102 A I H X S+ 0 0 62 -4,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.916 108.8 44.6 -70.1 -40.3 28.6 61.1 108.4 107 103 A G H X S+ 0 0 0 -4,-1.9 4,-1.9 -3,-0.2 -2,-0.2 0.871 113.5 50.0 -68.1 -36.4 26.2 58.2 108.9 108 104 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.901 110.2 51.4 -66.1 -41.9 24.8 60.0 112.0 109 105 A K H X S+ 0 0 46 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.924 110.1 47.8 -61.8 -45.6 24.4 63.1 109.9 110 106 A R H X S+ 0 0 92 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.874 112.0 49.4 -65.3 -37.8 22.5 61.3 107.2 111 107 A A H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.928 109.5 52.1 -67.5 -42.7 20.2 59.6 109.6 112 108 A C H X>S+ 0 0 10 -4,-2.5 5,-2.0 1,-0.2 4,-1.3 0.892 110.0 48.3 -60.9 -39.5 19.4 62.8 111.4 113 109 A E H <5S+ 0 0 113 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.919 113.8 47.9 -66.7 -41.1 18.5 64.5 108.1 114 110 A F H <5S+ 0 0 103 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.908 119.9 36.6 -65.4 -43.7 16.3 61.5 107.2 115 111 A Y H <5S- 0 0 2 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.555 108.1-125.1 -86.4 -8.9 14.5 61.4 110.6 116 112 A K T <5S+ 0 0 183 -4,-1.3 2,-0.2 -5,-0.3 -3,-0.2 0.896 70.2 114.2 65.7 43.9 14.5 65.2 110.9 117 113 A C < - 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0 0 6 -5,-2.7 65,-1.0 -6,-0.1 2,-0.4 -0.825 66.5-117.5-136.3 171.8 40.2 87.3 125.2 536 226 B K E -Vw 596 600H 28 60,-2.4 60,-2.4 63,-0.3 2,-0.5 -0.949 21.6-146.9-117.8 138.5 43.1 87.0 127.6 537 227 B I E -Vw 595 601H 2 63,-2.6 65,-3.8 -2,-0.4 2,-0.6 -0.917 6.5-163.1-112.4 120.8 42.6 86.2 131.3 538 228 B E E -Vw 594 602H 70 56,-2.2 56,-2.2 -2,-0.5 2,-0.4 -0.884 13.1-173.8-103.9 118.2 44.9 87.6 134.0 539 229 B I E -Vw 593 603H 2 63,-3.3 65,-2.7 -2,-0.6 2,-0.6 -0.877 19.1-144.3-115.1 143.8 44.7 85.9 137.4 540 230 B L > - 0 0 78 52,-2.7 3,-2.0 -2,-0.4 4,-0.4 -0.926 7.6-153.7-107.7 114.1 46.4 86.8 140.7 541 231 B S G > S+ 0 0 21 -2,-0.6 3,-2.2 1,-0.3 -1,-0.2 0.885 92.0 63.6 -52.0 -45.7 47.4 83.7 142.6 542 232 B E G 3 S+ 0 0 166 1,-0.3 -1,-0.3 -3,-0.1 50,-0.0 0.611 100.0 55.9 -58.3 -11.9 47.2 85.5 146.0 543 233 B K G < S+ 0 0 88 -3,-2.0 -1,-0.3 49,-0.2 -2,-0.2 0.555 76.3 118.9 -97.3 -10.8 43.4 85.9 145.4 544 234 B L S < S- 0 0 9 -3,-2.2 2,-0.4 -4,-0.4 21,-0.1 -0.334 73.4-113.6 -57.8 129.9 42.6 82.2 144.8 545 235 B P - 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