==== 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 06-DEC-05 2F9W . COMPND 2 MOLECULE: PANTOTHENATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR R.LEONARDI,M.K.YUN,S.CHOHNAN,S.W.WHITE,C.O.ROCK,S.JACKOWSKI . 498 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 364 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 14.9 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 33 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 2 0 2 2 2 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 RESIDUES PER ALPHA HELIX . 2 4 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 PARALLEL BRIDGES PER LADDER . 2 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 2 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 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 0 A S 0 0 87 0, 0.0 19,-0.4 0, 0.0 47,-0.2 0.000 360.0 360.0 360.0 138.9 28.5 14.6 33.4 2 1 A X E -a 48 0A 24 45,-2.5 47,-2.6 17,-0.1 48,-1.0 -0.622 360.0-122.2-109.7 170.0 29.9 14.4 36.9 3 2 A I E -aB 50 18A 10 15,-2.2 15,-2.6 -2,-0.2 2,-0.5 -0.938 9.9-148.3-117.8 132.9 28.5 13.4 40.3 4 3 A L E -aB 51 17A 0 46,-2.6 48,-2.2 -2,-0.4 2,-0.4 -0.865 21.1-171.5 -97.7 126.2 28.4 15.5 43.5 5 4 A E E -aB 52 16A 1 11,-3.1 11,-2.0 -2,-0.5 2,-0.4 -0.945 2.8-172.0-121.1 141.5 28.7 13.4 46.6 6 5 A L E -aB 53 15A 0 46,-1.6 48,-2.0 -2,-0.4 2,-0.5 -0.986 21.1-163.2-137.7 147.3 28.2 14.5 50.2 7 6 A D E -aB 54 14A 31 7,-2.8 7,-2.5 -2,-0.4 2,-0.7 -0.942 24.0-159.6-124.1 99.4 28.6 13.1 53.7 8 7 A C E +aB 55 13A 0 46,-3.0 48,-1.9 -2,-0.5 49,-0.4 -0.761 14.8 176.1 -92.4 112.1 26.7 15.4 56.0 9 8 A G - 0 0 19 3,-3.0 48,-0.1 -2,-0.7 -2,-0.0 -0.388 43.8-103.4-101.9-177.5 27.6 15.3 59.6 10 9 A N S S+ 0 0 51 -2,-0.1 3,-0.1 1,-0.1 -1,-0.1 0.837 119.6 19.7 -76.3 -32.8 26.4 17.2 62.7 11 10 A S S S+ 0 0 45 1,-0.2 2,-0.3 21,-0.0 -1,-0.1 0.741 130.3 29.2-105.1 -33.6 29.5 19.5 62.7 12 11 A L - 0 0 59 2,-0.0 -3,-3.0 17,-0.0 2,-0.5 -0.902 55.7-148.7-132.2 158.7 30.9 19.1 59.2 13 12 A I E -BC 8 30A 2 17,-1.9 17,-2.7 -2,-0.3 2,-0.5 -0.987 16.1-162.1-126.3 118.0 29.9 18.4 55.7 14 13 A K E +BC 7 29A 52 -7,-2.5 -7,-2.8 -2,-0.5 2,-0.3 -0.883 17.3 174.1-101.6 130.1 32.4 16.6 53.5 15 14 A W E +BC 6 28A 9 13,-2.2 13,-2.1 -2,-0.5 2,-0.3 -0.933 11.8 172.4-135.3 159.5 31.8 16.8 49.7 16 15 A R E -BC 5 27A 23 -11,-2.0 -11,-3.1 -2,-0.3 2,-0.5 -0.975 24.3-136.1-160.0 154.0 33.5 15.8 46.5 17 16 A V E -BC 4 26A 3 9,-2.6 8,-2.9 -2,-0.3 9,-0.8 -0.980 25.7-157.8-116.9 126.3 32.8 15.8 42.8 18 17 A I E -BC 3 24A 1 -15,-2.6 -15,-2.2 -2,-0.5 2,-0.5 -0.859 10.1-148.7-112.6 143.5 33.8 12.7 40.9 19 18 A E E >> S- C 0 23A 81 4,-3.5 4,-1.8 -2,-0.4 3,-0.6 -0.891 71.2 -20.2-104.1 131.9 34.5 12.1 37.2 20 19 A G T 34 S- 0 0 57 -2,-0.5 -17,-0.1 -19,-0.4 -2,-0.1 -0.377 127.8 -18.0 70.0-148.2 33.6 8.7 35.9 21 20 A A T 34 S- 0 0 102 1,-0.1 -1,-0.2 -2,-0.1 -3,-0.1 0.881 133.7 -30.4 -61.6 -43.6 33.2 5.8 38.4 22 21 A A T <4 S+ 0 0 58 -3,-0.6 2,-0.8 -5,-0.0 -2,-0.2 0.296 82.8 139.0-166.2 21.0 35.1 7.5 41.3 23 22 A R E < -C 19 0A 150 -4,-1.8 -4,-3.5 2,-0.0 2,-0.3 -0.670 44.5-142.7 -80.6 112.7 37.8 9.9 40.3 24 23 A S E +C 18 0A 57 -2,-0.8 -6,-0.2 -6,-0.3 3,-0.1 -0.569 27.6 170.5 -76.1 131.7 37.6 12.9 42.6 25 24 A V E + 0 0 45 -8,-2.9 2,-0.3 1,-0.4 -7,-0.1 0.423 67.7 3.6-118.9 -4.3 38.4 16.2 40.9 26 25 A A E +C 17 0A 14 -9,-0.8 -9,-2.6 2,-0.0 -1,-0.4 -0.931 67.5 136.9-174.6 152.5 37.4 18.6 43.7 27 26 A G E +C 16 0A 42 -2,-0.3 2,-0.3 -11,-0.3 -11,-0.3 -0.982 11.4 170.6 178.2-178.9 36.2 18.5 47.3 28 27 A G E -C 15 0A 26 -13,-2.1 -13,-2.2 -2,-0.3 2,-0.4 -0.985 34.5 -88.4 173.1-177.8 36.4 20.0 50.7 29 28 A L E -C 14 0A 105 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.2 -0.984 30.7-161.3-122.7 126.0 35.1 20.3 54.3 30 29 A A E -C 13 0A 0 -17,-2.7 -17,-1.9 -2,-0.4 3,-0.1 -0.923 13.9-165.5-111.7 129.3 32.5 22.8 55.3 31 30 A E S S+ 0 0 165 -2,-0.5 2,-0.3 -19,-0.2 -1,-0.1 0.486 82.5 19.1 -86.9 -4.3 31.9 23.9 58.9 32 31 A S S > S- 0 0 56 -19,-0.1 4,-1.9 1,-0.1 -1,-0.1 -0.978 79.8-112.1-158.3 159.2 28.6 25.4 57.9 33 32 A D H > S+ 0 0 41 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.877 119.7 52.6 -64.1 -37.7 26.1 25.3 55.0 34 33 A D H > S+ 0 0 115 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 108.5 50.3 -63.9 -40.0 27.0 28.8 54.0 35 34 A A H > S+ 0 0 29 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.874 110.6 51.5 -64.4 -35.9 30.6 27.7 53.9 36 35 A L H X S+ 0 0 1 -4,-1.9 4,-3.4 2,-0.2 5,-0.3 0.960 109.0 47.7 -64.6 -53.4 29.5 24.8 51.8 37 36 A V H X S+ 0 0 24 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.906 111.7 51.8 -54.6 -44.0 27.6 26.9 49.3 38 37 A E H X S+ 0 0 136 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.920 112.9 45.5 -58.8 -44.6 30.6 29.3 49.1 39 38 A Q H X S+ 0 0 48 -4,-2.1 4,-0.9 1,-0.2 3,-0.2 0.923 114.2 46.5 -65.3 -46.2 32.8 26.2 48.3 40 39 A L H < S+ 0 0 2 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.690 107.7 61.4 -70.5 -17.3 30.4 24.7 45.8 41 40 A T H >< S+ 0 0 58 -4,-1.6 3,-1.4 -5,-0.3 -1,-0.2 0.882 100.0 50.7 -76.1 -40.4 30.1 28.2 44.2 42 41 A S H 3< S+ 0 0 91 -4,-1.5 3,-0.2 1,-0.3 -1,-0.2 0.743 115.9 43.9 -69.3 -22.8 33.8 28.5 43.3 43 42 A Q T >< S+ 0 0 68 -4,-0.9 3,-1.1 1,-0.2 -1,-0.3 -0.078 77.1 114.3-110.6 31.1 33.6 25.1 41.7 44 43 A Q T < + 0 0 95 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.479 61.6 75.5 -79.8 -1.9 30.2 25.8 39.9 45 44 A A T 3 S+ 0 0 94 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.576 72.7 101.1 -84.9 -11.3 32.1 25.5 36.6 46 45 A L S < S- 0 0 38 -3,-1.1 2,-2.4 1,-0.1 -3,-0.0 -0.540 85.6-114.6 -76.9 140.3 32.2 21.7 36.8 47 46 A P + 0 0 75 0, 0.0 -45,-2.5 0, 0.0 2,-0.4 -0.316 46.6 173.6 -73.0 60.1 29.6 19.8 34.7 48 47 A V E +a 2 0A 4 -2,-2.4 -45,-0.2 -47,-0.2 3,-0.1 -0.558 13.2 156.2 -73.1 125.1 27.8 18.3 37.7 49 48 A R E + 0 0 145 -47,-2.6 2,-0.3 -2,-0.4 27,-0.2 0.292 58.5 41.6-132.3 7.5 24.6 16.4 36.6 50 49 A A E -a 3 0A 13 -48,-1.0 -46,-2.6 25,-0.1 2,-0.3 -0.976 59.3-166.8-150.8 158.5 24.0 13.9 39.4 51 50 A C E +a 4 0A 2 25,-0.3 27,-2.4 -2,-0.3 2,-0.3 -0.987 8.6 173.2-154.4 140.9 24.1 14.0 43.2 52 51 A R E +ad 5 78A 12 -48,-2.2 -46,-1.6 -2,-0.3 2,-0.3 -0.988 12.1 172.2-144.2 146.6 24.0 11.5 46.0 53 52 A L E -ad 6 79A 0 25,-2.1 27,-2.7 -2,-0.3 2,-0.4 -0.996 24.3-147.7-156.8 159.9 24.5 12.0 49.8 54 53 A V E -a 7 0A 0 -48,-2.0 -46,-3.0 -2,-0.3 2,-0.3 -0.969 24.4-176.0-126.7 142.8 24.3 10.4 53.2 55 54 A S E -a 8 0A 10 -2,-0.4 46,-0.3 25,-0.3 -46,-0.2 -0.996 31.8-173.3-144.5 147.8 23.3 12.4 56.3 56 55 A V + 0 0 19 -48,-1.9 354,-0.1 -2,-0.3 -47,-0.1 0.205 65.5 101.9-118.2 8.1 23.0 12.0 60.1 57 56 A R S S- 0 0 24 -49,-0.4 -2,-0.1 1,-0.2 -47,-0.1 -0.318 89.6 -67.4 -83.0 173.1 21.4 15.4 60.6 58 57 A S > - 0 0 39 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.154 44.5-113.3 -60.1 158.6 17.7 15.8 61.1 59 58 A E H > S+ 0 0 133 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.874 118.3 51.0 -61.5 -36.2 15.4 15.0 58.2 60 59 A Q H > S+ 0 0 141 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 110.3 46.4 -67.9 -45.5 14.4 18.6 58.0 61 60 A E H > S+ 0 0 60 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.849 112.7 51.3 -65.7 -34.0 18.0 19.9 57.9 62 61 A T H X S+ 0 0 6 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.905 109.7 49.6 -69.6 -40.8 18.9 17.3 55.3 63 62 A S H X S+ 0 0 56 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.894 108.3 52.8 -64.6 -39.7 15.9 18.3 53.1 64 63 A Q H X S+ 0 0 120 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.859 111.9 46.8 -64.2 -34.1 16.9 22.0 53.4 65 64 A L H X S+ 0 0 3 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.946 111.1 50.6 -71.2 -48.5 20.3 21.0 52.2 66 65 A V H X S+ 0 0 22 -4,-2.9 4,-2.4 1,-0.2 11,-0.2 0.908 112.3 46.5 -55.3 -46.1 19.0 18.8 49.3 67 66 A A H < S+ 0 0 44 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.893 112.2 52.4 -63.7 -38.5 16.7 21.7 48.1 68 67 A R H >X S+ 0 0 80 -4,-1.6 3,-0.9 -5,-0.2 4,-0.6 0.875 110.2 47.4 -64.1 -40.5 19.7 24.0 48.4 69 68 A L H >X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 3,-1.4 0.904 104.2 59.0 -68.8 -43.2 21.9 21.7 46.3 70 69 A E H 3< S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.463 105.1 54.0 -66.8 1.1 19.3 21.3 43.6 71 70 A Q H <4 S+ 0 0 146 -3,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.593 108.7 45.8-106.1 -21.3 19.4 25.1 43.2 72 71 A L H << S+ 0 0 31 -3,-1.4 -2,-0.2 -4,-0.6 -3,-0.1 0.732 123.5 25.6 -92.4 -27.3 23.2 25.2 42.7 73 72 A F S < S- 0 0 10 -4,-2.0 2,-2.2 2,-0.1 -1,-0.2 -0.984 84.6-108.5-139.5 148.3 23.3 22.3 40.2 74 73 A P S S+ 0 0 87 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.484 77.0 118.4 -75.0 75.9 20.9 20.8 37.7 75 74 A V - 0 0 14 -2,-2.2 2,-0.5 -5,-0.1 -25,-0.1 -0.944 63.9-138.4-142.9 162.7 20.4 17.6 39.7 76 75 A S - 0 0 103 -2,-0.3 -25,-0.3 -27,-0.2 -10,-0.0 -0.853 40.0-137.9-120.8 88.6 17.9 15.4 41.5 77 76 A A - 0 0 16 -2,-0.5 2,-0.4 -11,-0.2 -25,-0.2 -0.136 6.5-144.0 -53.3 135.8 19.8 14.3 44.6 78 77 A L E -d 52 0A 71 -27,-2.4 -25,-2.1 168,-0.1 2,-0.5 -0.859 14.4-154.9-100.7 135.5 19.6 10.8 45.9 79 78 A V E -d 53 0A 61 -2,-0.4 -25,-0.2 -27,-0.2 -27,-0.0 -0.959 15.1-123.6-118.4 126.4 19.6 10.3 49.7 80 79 A A - 0 0 5 -27,-2.7 2,-0.3 -2,-0.5 -25,-0.3 -0.320 33.0-169.1 -63.9 145.5 20.8 7.2 51.4 81 80 A S - 0 0 90 164,-0.1 -1,-0.0 1,-0.1 16,-0.0 -0.897 27.2 -80.3-135.2 165.2 18.3 5.6 53.8 82 81 A S + 0 0 41 -2,-0.3 2,-0.3 15,-0.1 15,-0.1 -0.167 48.0 173.9 -61.8 155.8 18.2 2.8 56.4 83 82 A G - 0 0 17 13,-0.3 3,-0.1 1,-0.1 8,-0.1 -0.975 42.5-130.9-163.3 150.5 17.9 -0.8 55.4 84 83 A K S S+ 0 0 139 -2,-0.3 7,-2.7 1,-0.2 2,-0.3 0.722 97.8 10.3 -76.0 -21.5 18.0 -4.3 56.9 85 84 A Q E +E 90 0B 145 5,-0.3 2,-0.3 -3,-0.1 5,-0.2 -0.993 59.5 178.2-157.1 151.5 20.5 -5.3 54.3 86 85 A L E > S-E 89 0B 37 3,-2.1 3,-1.5 -2,-0.3 159,-0.1 -0.914 72.8 -10.9-158.2 127.0 22.7 -3.8 51.6 87 86 A A T 3 S- 0 0 42 -2,-0.3 3,-0.1 1,-0.3 158,-0.0 0.847 130.8 -47.3 51.6 41.3 25.2 -5.5 49.2 88 87 A G T 3 S+ 0 0 59 1,-0.3 2,-0.4 23,-0.0 -1,-0.3 0.575 113.2 119.6 80.6 9.4 25.1 -8.8 51.1 89 88 A V E < -E 86 0B 1 -3,-1.5 -3,-2.1 48,-0.1 2,-0.5 -0.915 53.4-144.6-111.7 134.0 25.5 -7.2 54.5 90 89 A R E -Ef 85 137B 153 46,-2.4 48,-2.0 -2,-0.4 -5,-0.3 -0.858 20.7-118.6-102.8 126.4 22.9 -7.5 57.2 91 90 A N - 0 0 16 -7,-2.7 5,-0.1 -2,-0.5 -7,-0.0 -0.359 20.7-158.4 -58.9 131.9 22.2 -4.7 59.6 92 91 A G + 0 0 13 4,-0.1 2,-0.1 336,-0.1 -1,-0.1 0.461 53.2 108.7 -96.2 -1.8 23.0 -5.8 63.2 93 92 A Y S S- 0 0 11 1,-0.1 3,-0.4 3,-0.1 337,-0.2 -0.475 72.2-129.8 -76.0 146.4 20.9 -3.3 65.2 94 93 A L S S+ 0 0 129 335,-2.6 2,-0.7 1,-0.3 -1,-0.1 0.922 112.3 32.7 -57.4 -43.6 17.8 -4.5 67.0 95 94 A D S > S- 0 0 70 334,-0.5 3,-2.6 1,-0.1 4,-0.5 -0.904 81.9-160.4-115.9 97.8 16.0 -1.6 65.3 96 95 A Y G > S+ 0 0 71 -2,-0.7 3,-0.7 -3,-0.4 -13,-0.3 0.723 86.6 63.6 -50.7 -27.9 17.8 -1.2 61.9 97 96 A Q G 3 S+ 0 0 122 1,-0.2 -1,-0.3 -15,-0.1 4,-0.1 0.623 93.6 63.4 -75.1 -12.4 16.5 2.4 61.6 98 97 A R G < S+ 0 0 158 -3,-2.6 2,-0.3 2,-0.1 -1,-0.2 0.684 77.1 101.9 -84.4 -20.9 18.5 3.5 64.6 99 98 A L S < S- 0 0 4 -3,-0.7 5,-0.1 -4,-0.5 -8,-0.0 -0.494 84.9-108.7 -69.7 125.0 21.9 2.7 63.2 100 99 A G > - 0 0 24 -2,-0.3 4,-2.4 1,-0.2 3,-0.2 -0.267 20.9-135.8 -53.0 132.9 23.7 5.9 62.0 101 100 A L H > S+ 0 0 25 -46,-0.3 4,-2.6 1,-0.2 5,-0.2 0.788 103.6 58.7 -64.6 -27.7 23.8 5.9 58.2 102 101 A D H > S+ 0 0 38 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.922 109.6 43.6 -67.4 -41.1 27.4 7.0 58.2 103 102 A R H > S+ 0 0 7 -3,-0.2 4,-2.6 2,-0.2 5,-0.3 0.927 113.9 52.5 -65.6 -46.1 28.3 3.9 60.2 104 103 A W H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.939 110.7 44.4 -55.9 -54.5 26.1 1.7 58.0 105 104 A L H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.857 114.4 50.7 -63.2 -34.9 27.6 2.8 54.7 106 105 A A H X S+ 0 0 5 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.938 112.7 43.8 -68.6 -46.9 31.1 2.5 56.0 107 106 A L H X S+ 0 0 1 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.822 114.1 50.9 -69.4 -31.1 30.8 -1.0 57.3 108 107 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.936 110.6 48.8 -69.7 -46.1 28.9 -2.2 54.2 109 108 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.918 109.5 54.2 -58.0 -44.5 31.6 -0.7 52.0 110 109 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.933 112.4 40.3 -57.0 -52.0 34.3 -2.5 54.1 111 110 A H H X S+ 0 0 11 -4,-1.9 4,-3.3 1,-0.2 -1,-0.2 0.899 111.7 57.9 -66.9 -37.8 32.8 -5.9 53.8 112 111 A H H < S+ 0 0 71 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.870 114.2 39.0 -57.5 -37.8 32.0 -5.4 50.2 113 112 A L H < S+ 0 0 75 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.859 126.1 33.8 -81.4 -39.0 35.6 -4.7 49.5 114 113 A A H < S- 0 0 14 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.830 76.3-156.9 -87.7 -36.0 37.1 -7.4 51.8 115 114 A K S < S+ 0 0 127 -4,-3.3 2,-0.3 1,-0.3 -3,-0.1 0.833 70.1 86.3 57.9 30.3 34.6 -10.2 51.6 116 115 A K S S- 0 0 58 -6,-0.2 -1,-0.3 -5,-0.2 -2,-0.2 -0.835 96.9 -68.0-143.9 178.2 36.0 -11.2 54.9 117 116 A A - 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0 0 42 -3,-0.9 -1,-0.1 2,-0.1 4,-0.0 -0.985 56.9-151.5-158.6 151.6 28.7 -6.4 78.5 425 174 B L + 0 0 40 -2,-0.3 3,-0.1 15,-0.0 -3,-0.1 0.249 60.6 120.6-109.3 10.8 31.4 -4.9 76.4 426 175 B Q S S- 0 0 90 1,-0.2 -285,-0.1 -219,-0.0 -2,-0.1 -0.230 82.8 -63.2 -67.7 162.9 30.5 -6.8 73.2 427 176 B P - 0 0 11 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.183 61.4-116.6 -51.2 135.9 29.4 -4.8 70.1 428 177 B G B -J 141 0C 0 -287,-2.3 -287,-2.3 5,-0.1 -336,-0.1 -0.509 23.8-170.3 -79.8 144.5 26.3 -2.8 70.7 429 178 B Q S S+ 0 0 76 -289,-0.2 -335,-2.6 -2,-0.2 -334,-0.5 0.121 76.0 41.4-117.5 18.2 23.1 -3.4 68.8 430 179 B A S > S- 0 0 23 -289,-0.2 4,-2.7 -337,-0.2 3,-0.3 -0.958 92.1-104.9-157.5 153.3 21.3 -0.3 70.1 431 180 B T H > S+ 0 0 24 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.892 118.7 52.6 -50.9 -48.8 22.5 3.3 70.7 432 181 B A H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.896 113.3 45.0 -56.7 -41.5 22.6 3.0 74.5 433 182 B E H > S+ 0 0 49 -3,-0.3 4,-2.0 2,-0.2 5,-0.4 0.922 113.1 49.6 -69.3 -44.4 24.8 -0.1 74.1 434 183 B A H X S+ 0 0 0 -4,-2.7 -291,-2.2 3,-0.2 4,-1.6 0.921 117.7 39.8 -60.9 -45.8 27.1 1.4 71.5 435 184 B V H X S+ 0 0 0 -4,-2.8 4,-2.8 -293,-0.2 5,-0.2 0.948 117.9 43.5 -71.5 -52.3 27.7 4.6 73.5 436 185 B E H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 -3,-0.2 0.922 120.9 41.5 -62.4 -43.3 28.0 3.3 77.0 437 186 B R H X S+ 0 0 22 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.867 114.8 51.6 -72.5 -35.8 30.2 0.4 75.9 438 187 B G H X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.4 -2,-0.2 0.947 112.6 45.4 -64.7 -47.2 32.2 2.5 73.5 439 188 B C H X S+ 0 0 0 -4,-2.8 4,-2.0 -296,-0.4 -2,-0.2 0.862 112.8 50.6 -64.9 -36.4 32.9 5.1 76.2 440 189 B L H X S+ 0 0 12 -4,-1.9 4,-3.0 -5,-0.2 -1,-0.2 0.883 109.0 51.0 -70.3 -37.3 33.8 2.5 78.8 441 190 B L H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.853 108.8 52.5 -67.2 -32.1 36.2 0.8 76.4 442 191 B X H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.920 111.7 46.1 -68.3 -40.2 37.8 4.2 75.8 443 192 B L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.941 115.1 45.8 -65.4 -47.5 38.2 4.6 79.6 444 193 B R H X S+ 0 0 28 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.862 112.0 52.3 -64.7 -35.1 39.6 1.1 80.0 445 194 B G H X S+ 0 0 1 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.873 106.7 52.6 -68.3 -38.4 41.9 1.7 77.0 446 195 B F H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.914 106.7 53.7 -63.1 -42.5 43.2 4.9 78.5 447 196 B V H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.892 108.9 48.1 -60.0 -40.7 44.0 3.1 81.8 448 197 B R H X S+ 0 0 103 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.883 109.8 52.3 -68.8 -36.1 46.0 0.4 79.9 449 198 B E H X S+ 0 0 24 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.899 110.3 49.9 -64.2 -39.3 47.9 3.2 78.0 450 199 B Q H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.900 108.3 51.3 -65.6 -41.7 48.7 4.8 81.4 451 200 B Y H X S+ 0 0 96 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.895 111.7 48.4 -62.7 -38.7 50.0 1.5 82.8 452 201 B A H X S+ 0 0 55 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.899 111.5 48.8 -67.8 -41.3 52.3 1.0 79.8 453 202 B X H X S+ 0 0 30 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.914 112.4 49.2 -64.5 -42.6 53.6 4.6 80.1 454 203 B A H X>S+ 0 0 0 -4,-2.6 4,-3.6 1,-0.2 5,-1.0 0.926 108.8 51.8 -62.7 -46.4 54.2 4.1 83.8 455 204 B C H X5S+ 0 0 30 -4,-2.4 4,-0.7 3,-0.2 -1,-0.2 0.883 113.8 45.9 -57.6 -38.4 56.1 0.8 83.2 456 205 B E H <5S+ 0 0 157 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.925 125.3 27.7 -71.2 -47.4 58.3 2.5 80.7 457 206 B L H <5S+ 0 0 58 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.750 135.2 26.6 -89.8 -26.6 59.1 5.7 82.6 458 207 B L H <5S- 0 0 22 -4,-3.6 -3,-0.2 -5,-0.3 3,-0.2 0.558 109.4-107.9-113.0 -13.6 58.8 4.5 86.2 459 208 B G ><< - 0 0 18 -5,-1.0 3,-1.4 -4,-0.7 -3,-0.1 -0.021 35.9 -78.6 99.3 152.9 59.6 0.8 86.0 460 209 B P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.664 124.5 62.7 -60.5 -18.9 57.3 -2.3 86.3 461 210 B D T 3 S+ 0 0 116 -3,-0.2 -2,-0.1 -6,-0.1 -94,-0.1 0.155 73.4 130.1 -95.6 19.0 57.4 -2.0 90.1 462 211 B C < - 0 0 13 -3,-1.4 2,-0.3 1,-0.1 -94,-0.2 -0.353 62.2-111.0 -72.6 153.6 55.7 1.4 90.4 463 212 B E E -n 368 0D 38 -96,-2.8 -94,-2.5 -2,-0.0 2,-0.5 -0.650 28.1-149.3 -84.3 141.2 52.8 1.9 92.8 464 213 B I E -n 369 0D 16 16,-0.3 18,-3.2 -2,-0.3 2,-0.4 -0.958 11.3-170.7-117.2 126.2 49.4 2.5 91.2 465 214 B F E -np 370 482D 0 -96,-3.1 -94,-2.8 -2,-0.5 2,-0.4 -0.954 1.4-171.4-115.9 131.3 46.8 4.6 92.9 466 215 B L E +np 371 483D 0 16,-2.4 18,-2.9 -2,-0.4 2,-0.3 -0.966 13.6 159.0-122.1 138.1 43.2 4.8 91.6 467 216 B T E +n 372 0D 8 -96,-2.2 -94,-3.2 -2,-0.4 3,-0.1 -0.866 25.2 79.7-144.9 177.6 40.6 7.3 92.9 468 217 B G S > S- 0 0 23 17,-0.3 3,-1.6 -2,-0.3 4,-0.2 0.014 86.1 -80.7 97.4 152.4 37.4 8.8 91.7 469 218 B G T 3 S+ 0 0 72 1,-0.3 3,-0.5 2,-0.1 -95,-0.2 0.738 126.6 53.3 -61.8 -24.5 33.9 7.3 91.6 470 219 B D T > S+ 0 0 40 -97,-2.8 3,-1.2 1,-0.2 4,-0.4 0.286 71.8 102.2 -96.6 11.9 34.6 5.4 88.4 471 220 B A G X> S+ 0 0 3 -3,-1.6 4,-1.7 -98,-0.3 3,-1.2 0.821 75.5 67.1 -61.2 -27.3 37.7 3.6 89.6 472 221 B E G 34 S+ 0 0 122 -3,-0.5 4,-0.3 1,-0.2 -1,-0.3 0.831 92.3 59.6 -60.4 -34.0 35.3 0.6 90.0 473 222 B L G <4 S+ 0 0 47 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.647 119.5 24.1 -71.3 -16.6 34.9 0.4 86.3 474 223 B V T X4 S+ 0 0 0 -3,-1.2 3,-1.9 -4,-0.4 4,-0.4 0.477 88.6 97.9-128.1 -6.2 38.6 -0.1 85.6 475 224 B R G >< S+ 0 0 113 -4,-1.7 3,-1.3 1,-0.3 6,-0.3 0.748 74.7 69.4 -60.8 -22.5 40.2 -1.7 88.7 476 225 B D G 3 S+ 0 0 102 -4,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.765 91.8 62.2 -66.2 -21.8 40.0 -5.2 87.3 477 226 B E G < S+ 0 0 30 -3,-1.9 -1,-0.3 1,-0.3 2,-0.3 0.712 111.4 37.3 -74.3 -21.0 42.6 -4.1 84.8 478 227 B L X + 0 0 16 -3,-1.3 3,-2.4 -4,-0.4 -1,-0.3 -0.662 67.2 179.6-134.6 77.8 45.1 -3.5 87.6 479 228 B A T 3 S+ 0 0 103 -3,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.798 83.1 48.9 -47.2 -39.5 44.7 -6.1 90.4 480 229 B G T 3 S+ 0 0 70 2,-0.1 -16,-0.3 -17,-0.0 -1,-0.3 0.340 84.0 124.3 -88.5 9.0 47.4 -4.7 92.5 481 230 B A < - 0 0 16 -3,-2.4 2,-0.8 -6,-0.3 -16,-0.2 -0.312 62.6-126.5 -69.2 150.5 46.2 -1.1 92.4 482 231 B R E -p 465 0D 124 -18,-3.2 -16,-2.4 2,-0.1 2,-0.7 -0.873 21.5-156.0 -99.6 108.0 45.5 0.9 95.6 483 232 B I E +p 466 0D 67 -2,-0.8 -16,-0.2 -18,-0.2 -18,-0.1 -0.775 17.8 174.1 -87.3 118.5 42.0 2.2 95.3 484 233 B X > - 0 0 52 -18,-2.9 3,-1.9 -2,-0.7 4,-0.2 -0.818 15.8-171.9-131.2 93.5 41.7 5.3 97.6 485 234 B P T 3 S+ 0 0 79 0, 0.0 -17,-0.3 0, 0.0 3,-0.3 0.783 89.7 40.4 -51.3 -36.2 38.4 7.1 97.3 486 235 B D T >> S+ 0 0 43 1,-0.2 4,-1.0 2,-0.1 3,-0.8 0.023 73.7 126.8-107.5 28.6 39.6 10.0 99.5 487 236 B L H X> S+ 0 0 0 -3,-1.9 4,-1.5 1,-0.3 3,-0.8 0.871 71.6 55.9 -51.8 -43.9 43.1 10.4 98.1 488 237 B V H 3> S+ 0 0 11 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.860 102.9 56.6 -60.6 -34.0 42.8 14.1 97.4 489 238 B F H <> S+ 0 0 0 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.766 99.9 57.9 -69.2 -25.7 41.8 14.7 101.1 490 239 B V H