==== 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 2F9T . 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 . 489 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21190.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 15.1 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 . 36 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 2 0 0 1 1 3 0 1 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 -1 A A 0 0 110 0, 0.0 2,-0.4 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0-173.8 31.4 14.1 29.9 2 0 A S - 0 0 55 48,-0.1 19,-0.5 47,-0.1 2,-0.2 -0.891 360.0-160.5-111.5 136.7 29.4 14.1 33.1 3 1 A X E -a 49 0A 25 45,-2.7 47,-2.4 -2,-0.4 48,-0.8 -0.640 13.9-124.3-108.6 168.3 30.8 14.2 36.6 4 2 A I E -aB 51 19A 10 15,-2.2 15,-2.5 -2,-0.2 2,-0.6 -0.955 7.2-150.1-121.8 131.1 29.3 13.3 40.0 5 3 A L E -aB 52 18A 0 46,-2.3 48,-2.1 -2,-0.4 2,-0.4 -0.846 21.4-172.9 -95.3 123.9 28.9 15.5 43.1 6 4 A E E -aB 53 17A 1 11,-2.9 11,-2.0 -2,-0.6 2,-0.3 -0.936 2.1-173.7-120.0 144.2 29.0 13.4 46.3 7 5 A L E -aB 54 16A 0 46,-1.5 48,-2.3 -2,-0.4 2,-0.5 -0.990 21.1-159.3-141.0 148.0 28.4 14.5 49.8 8 6 A D E -aB 55 15A 29 7,-3.0 7,-2.4 -2,-0.3 2,-1.0 -0.967 17.9-158.9-123.3 108.6 28.6 13.2 53.4 9 7 A C E +aB 56 14A 0 46,-3.5 48,-2.3 -2,-0.5 49,-0.3 -0.765 17.4 179.2 -95.8 96.4 26.4 15.4 55.7 10 8 A G - 0 0 17 3,-2.3 48,-0.1 -2,-1.0 47,-0.0 -0.143 44.1 -93.5 -84.3-176.4 27.6 14.9 59.2 11 9 A N S S+ 0 0 53 1,-0.2 3,-0.1 47,-0.1 -1,-0.1 0.890 120.0 10.1 -68.1 -40.1 26.2 16.5 62.4 12 10 A S S S+ 0 0 54 1,-0.1 2,-0.3 21,-0.0 -1,-0.2 0.381 128.7 41.4-121.4 3.1 28.7 19.5 62.4 13 11 A L - 0 0 55 2,-0.0 -3,-2.3 17,-0.0 2,-0.5 -0.988 56.9-147.7-149.1 157.1 30.3 19.2 59.0 14 12 A I E -BC 9 31A 0 17,-2.0 17,-2.8 -2,-0.3 2,-0.4 -0.976 14.6-165.1-129.1 116.8 29.7 18.6 55.3 15 13 A K E +BC 8 30A 52 -7,-2.4 -7,-3.0 -2,-0.5 2,-0.3 -0.862 16.1 172.9-101.8 135.8 32.3 16.9 53.2 16 14 A W E +BC 7 29A 9 13,-2.2 13,-2.3 -2,-0.4 2,-0.3 -0.955 11.2 171.9-140.0 159.8 31.9 17.0 49.5 17 15 A R E -BC 6 28A 22 -11,-2.0 -11,-2.9 -2,-0.3 2,-0.5 -0.980 24.9-133.9-160.2 158.0 33.8 16.1 46.3 18 16 A V E -BC 5 27A 0 9,-2.6 8,-2.7 -2,-0.3 9,-0.9 -0.987 25.6-161.4-119.4 128.2 33.3 15.9 42.6 19 17 A I E -BC 4 25A 1 -15,-2.5 -15,-2.2 -2,-0.5 2,-0.4 -0.876 11.0-148.5-113.8 147.6 34.5 12.8 40.8 20 18 A E E >> S- C 0 24A 76 4,-3.2 4,-1.9 -2,-0.4 3,-0.5 -0.895 71.5 -16.9-107.9 137.4 35.3 12.1 37.1 21 19 A G T 34 S- 0 0 56 -19,-0.5 -17,-0.1 -2,-0.4 -2,-0.1 -0.317 127.0 -21.2 66.9-148.6 34.7 8.6 35.9 22 20 A A T 34 S- 0 0 101 1,-0.1 -1,-0.2 -2,-0.0 -3,-0.1 0.894 132.8 -27.5 -63.9 -43.6 34.3 5.8 38.5 23 21 A A T <4 S+ 0 0 60 -3,-0.5 2,-0.8 -5,-0.0 -2,-0.2 0.281 83.4 136.8-163.5 21.4 36.1 7.6 41.4 24 22 A R E < -C 20 0A 149 -4,-1.9 -4,-3.2 2,-0.0 2,-0.3 -0.697 44.2-144.1 -83.8 113.9 38.7 10.1 40.4 25 23 A S E +C 19 0A 58 -2,-0.8 -6,-0.2 -6,-0.3 3,-0.1 -0.588 27.7 169.2 -78.4 129.8 38.3 13.2 42.6 26 24 A V E + 0 0 51 -8,-2.7 2,-0.3 1,-0.4 -7,-0.1 0.458 69.1 2.9-116.3 -6.7 39.0 16.5 40.9 27 25 A A E +C 18 0A 18 -9,-0.9 -9,-2.6 2,-0.0 -1,-0.4 -0.958 65.7 143.5-171.6 156.5 37.7 18.8 43.6 28 26 A G E +C 17 0A 44 -11,-0.3 2,-0.3 -2,-0.3 -11,-0.3 -0.968 11.5 177.8 176.2 173.1 36.3 18.7 47.1 29 27 A G E -C 16 0A 21 -13,-2.3 -13,-2.2 -2,-0.3 2,-0.4 -0.987 29.9 -99.1-174.6-178.0 36.1 20.4 50.5 30 28 A L E -C 15 0A 85 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.2 -0.991 28.5-163.2-125.7 124.0 34.8 20.7 54.1 31 29 A A E -C 14 0A 1 -17,-2.8 -17,-2.0 -2,-0.4 3,-0.1 -0.929 15.1-166.6-113.4 129.7 32.0 23.1 55.0 32 30 A E S S+ 0 0 166 -2,-0.5 2,-0.3 -19,-0.2 -1,-0.1 0.442 82.0 16.3 -87.9 -2.5 31.3 24.1 58.6 33 31 A S S > S- 0 0 56 -19,-0.1 4,-2.3 1,-0.1 3,-0.2 -0.976 81.3-107.5-163.7 157.0 27.9 25.5 57.5 34 32 A D H > S+ 0 0 46 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.872 120.6 53.4 -58.1 -38.0 25.5 25.3 54.6 35 33 A D H > S+ 0 0 113 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 108.7 48.5 -65.4 -37.2 26.5 28.9 53.6 36 34 A A H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.888 112.0 51.5 -68.0 -37.0 30.1 27.8 53.5 37 35 A L H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.945 109.9 46.3 -63.3 -51.2 29.1 24.8 51.5 38 36 A V H X S+ 0 0 28 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.879 111.6 55.0 -59.3 -37.4 27.2 26.9 48.9 39 37 A E H X S+ 0 0 133 -4,-2.0 4,-0.7 -5,-0.2 -2,-0.2 0.938 111.8 41.7 -61.0 -49.0 30.2 29.2 48.9 40 38 A Q H >< S+ 0 0 61 -4,-2.4 3,-0.9 1,-0.2 4,-0.2 0.931 115.6 48.6 -66.1 -47.4 32.6 26.4 48.0 41 39 A L H >< S+ 0 0 1 -4,-2.9 3,-2.3 1,-0.2 4,-0.5 0.836 99.4 66.7 -63.3 -34.9 30.3 24.7 45.5 42 40 A T H >< S+ 0 0 49 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.825 97.0 56.6 -56.4 -31.2 29.6 28.0 43.6 43 41 A S T << S+ 0 0 87 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.562 108.5 47.7 -77.3 -8.2 33.2 28.0 42.6 44 42 A Q T X S+ 0 0 55 -3,-2.3 3,-2.5 -4,-0.2 5,-0.2 0.341 73.4 102.6-113.6 4.3 32.8 24.6 41.0 45 43 A Q T < S+ 0 0 104 -3,-0.7 -1,-0.1 -4,-0.5 4,-0.1 0.619 72.4 73.0 -63.6 -7.7 29.7 25.1 39.0 46 44 A A T 3 S+ 0 0 92 -3,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.736 79.8 91.6 -75.4 -23.5 32.1 25.4 36.1 47 45 A L S < S- 0 0 40 -3,-2.5 2,-3.2 1,-0.1 -3,-0.0 -0.508 94.6-110.2 -74.6 139.1 32.6 21.6 36.4 48 46 A P + 0 0 44 0, 0.0 -45,-2.7 0, 0.0 2,-0.4 -0.221 50.7 171.5 -66.9 57.2 30.2 19.4 34.2 49 47 A V E +a 3 0A 3 -2,-3.2 -45,-0.2 -5,-0.2 3,-0.1 -0.571 12.6 153.1 -72.4 123.8 28.3 18.1 37.2 50 48 A R E + 0 0 131 -47,-2.4 2,-0.3 -2,-0.4 27,-0.2 0.191 58.9 41.9-136.9 14.2 25.3 16.1 36.0 51 49 A A E -a 4 0A 17 -48,-0.8 -46,-2.3 25,-0.1 2,-0.3 -0.973 59.4-169.1-156.4 157.6 24.6 13.6 38.8 52 50 A C E +a 5 0A 2 25,-0.3 27,-2.5 -2,-0.3 2,-0.3 -0.980 7.9 173.3-156.9 139.4 24.6 13.7 42.6 53 51 A R E +ad 6 79A 13 -48,-2.1 -46,-1.5 -2,-0.3 2,-0.3 -0.984 12.8 170.0-143.3 149.2 24.5 11.3 45.5 54 52 A L E -ad 7 80A 0 25,-1.6 27,-2.7 -2,-0.3 2,-0.4 -0.995 26.0-141.1-159.6 162.6 24.8 11.8 49.2 55 53 A V E -a 8 0A 0 -48,-2.3 -46,-3.5 -2,-0.3 2,-0.3 -0.975 24.0-176.7-126.3 142.1 24.5 10.4 52.7 56 54 A S E -a 9 0A 13 -2,-0.4 46,-0.2 25,-0.3 -46,-0.2 -0.997 30.0-169.2-143.4 145.8 23.2 12.4 55.7 57 55 A V + 0 0 11 -48,-2.3 -47,-0.1 -2,-0.3 346,-0.1 0.192 66.7 102.1-112.5 10.5 22.7 11.9 59.4 58 56 A R S S- 0 0 50 -49,-0.3 -2,-0.1 1,-0.2 -47,-0.1 -0.284 85.8 -66.7 -87.4 176.4 20.6 15.0 59.7 59 57 A S > - 0 0 47 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.232 44.0-113.6 -63.5 153.0 16.9 15.4 59.9 60 58 A E H > S+ 0 0 146 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.845 119.8 47.3 -54.7 -35.4 14.7 14.4 57.0 61 59 A Q H > S+ 0 0 133 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.914 108.8 51.9 -73.9 -45.0 13.7 18.0 56.6 62 60 A E H > S+ 0 0 58 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.833 111.5 48.8 -60.8 -33.8 17.3 19.4 56.9 63 61 A T H X S+ 0 0 13 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.928 107.6 52.4 -73.1 -46.1 18.4 17.0 54.2 64 62 A S H X S+ 0 0 56 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.842 109.3 52.4 -58.1 -34.2 15.6 17.9 51.8 65 63 A Q H X S+ 0 0 108 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.957 110.7 45.5 -66.3 -49.8 16.5 21.5 52.2 66 64 A L H X S+ 0 0 5 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.902 111.4 53.1 -59.1 -43.5 20.1 20.9 51.4 67 65 A V H X S+ 0 0 20 -4,-3.1 4,-3.0 1,-0.2 -1,-0.2 0.900 107.3 52.9 -58.8 -41.1 19.0 18.8 48.4 68 66 A A H < S+ 0 0 44 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.913 109.5 47.3 -61.3 -44.9 16.9 21.7 47.2 69 67 A R H >X S+ 0 0 86 -4,-2.2 4,-1.3 1,-0.2 3,-0.5 0.872 113.5 50.3 -65.3 -35.2 19.9 24.1 47.4 70 68 A L H >X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 3,-0.8 0.961 105.8 52.4 -66.8 -53.1 22.0 21.5 45.5 71 69 A E H 3< S+ 0 0 87 -4,-3.0 -1,-0.2 1,-0.3 5,-0.2 0.555 108.9 55.3 -61.4 -5.9 19.5 20.9 42.7 72 70 A Q H <4 S+ 0 0 154 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.794 110.2 42.3 -92.6 -37.7 19.6 24.7 42.3 73 71 A L H << S+ 0 0 39 -4,-1.3 -2,-0.2 -3,-0.8 -3,-0.1 0.725 124.3 31.0 -81.0 -25.0 23.3 24.9 41.9 74 72 A F S < S- 0 0 7 -4,-2.1 2,-2.1 -5,-0.1 -1,-0.2 -0.992 82.1-115.1-138.7 144.6 23.6 21.9 39.6 75 73 A P S S+ 0 0 105 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.501 74.8 115.5 -77.4 77.9 21.3 20.3 37.0 76 74 A V - 0 0 20 -2,-2.1 2,-0.6 -5,-0.2 -25,-0.1 -0.941 66.8-132.5-143.8 164.6 20.9 17.0 38.9 77 75 A S - 0 0 98 -2,-0.3 -25,-0.3 -27,-0.2 -27,-0.0 -0.856 42.2-134.1-119.3 88.9 18.3 14.8 40.6 78 76 A A - 0 0 15 -2,-0.6 2,-0.4 -11,-0.2 -25,-0.2 -0.114 9.6-144.2 -49.5 130.2 20.1 14.0 43.9 79 77 A L E -d 53 0A 71 -27,-2.5 -25,-1.6 160,-0.1 2,-0.5 -0.791 13.6-154.6 -95.7 139.8 20.1 10.4 45.1 80 78 A V E -d 54 0A 69 -2,-0.4 -25,-0.2 -27,-0.2 2,-0.1 -0.973 12.5-128.9-122.2 123.1 19.9 10.0 48.9 81 79 A A - 0 0 6 -27,-2.7 -25,-0.3 -2,-0.5 2,-0.3 -0.369 30.6-167.3 -67.0 145.5 21.3 7.0 50.7 82 80 A S - 0 0 90 156,-0.1 -1,-0.0 1,-0.1 16,-0.0 -0.884 26.0 -79.6-133.9 165.3 18.9 5.3 53.1 83 81 A S + 0 0 40 -2,-0.3 2,-0.3 15,-0.1 15,-0.1 -0.178 48.0 177.4 -60.8 152.6 18.8 2.7 55.9 84 82 A G - 0 0 18 13,-0.3 3,-0.1 1,-0.1 8,-0.1 -0.994 41.7-135.6-157.8 153.3 18.8 -1.0 55.1 85 83 A K S S+ 0 0 152 -2,-0.3 7,-1.7 1,-0.2 2,-0.3 0.663 98.6 12.4 -81.5 -18.1 18.9 -4.5 56.7 86 84 A Q E +E 91 0B 99 5,-0.2 2,-0.3 -3,-0.0 -1,-0.2 -0.993 60.9 176.0-157.5 151.8 21.5 -5.4 54.1 87 85 A L E > S-E 90 0B 38 3,-1.9 3,-1.4 -2,-0.3 151,-0.1 -0.883 72.0 -12.9-161.8 126.1 23.7 -3.9 51.5 88 86 A A T 3 S- 0 0 39 -2,-0.3 3,-0.1 1,-0.3 150,-0.0 0.804 130.0 -47.4 51.2 37.4 26.4 -5.4 49.2 89 87 A G T 3 S+ 0 0 42 1,-0.3 2,-0.4 24,-0.0 -1,-0.3 0.649 112.7 121.0 82.7 14.8 26.4 -8.7 51.1 90 88 A V E < -E 87 0B 0 -3,-1.4 -3,-1.9 48,-0.1 2,-0.6 -0.946 53.7-143.0-116.1 133.1 26.7 -7.0 54.5 91 89 A R E -Ef 86 138B 118 46,-2.9 48,-2.4 -2,-0.4 -5,-0.2 -0.849 19.3-123.0-101.8 119.3 24.1 -7.5 57.3 92 90 A N - 0 0 20 -7,-1.7 5,-0.1 -2,-0.6 46,-0.0 -0.312 19.5-157.5 -56.3 129.4 23.1 -4.6 59.5 93 91 A G + 0 0 12 4,-0.1 -1,-0.1 328,-0.1 2,-0.1 0.482 51.7 110.5 -93.7 -3.1 23.8 -5.6 63.1 94 92 A Y S S- 0 0 13 1,-0.1 3,-0.4 3,-0.1 329,-0.2 -0.411 71.8-128.8 -74.0 148.3 21.5 -3.2 65.0 95 93 A L S S+ 0 0 129 327,-2.8 2,-0.6 1,-0.3 -1,-0.1 0.933 114.0 31.3 -56.8 -45.2 18.4 -4.4 66.8 96 94 A D S > S- 0 0 66 326,-0.5 3,-2.9 1,-0.1 4,-0.4 -0.920 84.1-155.2-115.0 99.6 16.6 -1.7 64.9 97 95 A Y G > S+ 0 0 70 -2,-0.6 3,-0.9 -3,-0.4 -13,-0.3 0.744 90.9 61.4 -47.2 -29.9 18.5 -1.4 61.6 98 96 A Q G 3 S+ 0 0 111 1,-0.2 -1,-0.3 -15,-0.1 4,-0.1 0.646 90.4 68.7 -74.5 -14.7 17.3 2.3 61.2 99 97 A R G < S+ 0 0 146 -3,-2.9 2,-0.4 323,-0.1 -1,-0.2 0.669 76.5 99.3 -76.7 -18.5 19.0 3.3 64.5 100 98 A L S < S- 0 0 3 -3,-0.9 5,-0.0 -4,-0.4 -8,-0.0 -0.584 87.2-111.3 -74.5 121.3 22.5 2.8 62.9 101 99 A G > - 0 0 5 -2,-0.4 4,-2.2 1,-0.2 3,-0.3 -0.280 22.7-133.5 -51.6 129.9 24.0 6.1 61.7 102 100 A L H > S+ 0 0 23 -46,-0.2 4,-2.5 1,-0.2 5,-0.2 0.782 102.9 58.2 -58.5 -31.4 24.0 6.0 57.9 103 101 A D H > S+ 0 0 31 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.934 109.0 44.2 -64.8 -47.1 27.6 7.3 57.8 104 102 A R H > S+ 0 0 12 -3,-0.3 4,-2.7 2,-0.2 5,-0.3 0.913 112.9 54.1 -61.2 -45.9 28.9 4.3 59.9 105 103 A W H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.952 109.0 44.9 -56.2 -55.3 26.7 1.9 57.9 106 104 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.868 114.7 49.9 -61.2 -35.6 28.1 2.9 54.5 107 105 A A H X S+ 0 0 9 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.935 111.8 45.4 -70.0 -46.1 31.7 2.9 55.7 108 106 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.856 114.2 50.1 -66.5 -32.8 31.5 -0.5 57.3 109 107 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.924 110.0 50.7 -69.3 -42.9 29.8 -2.0 54.2 110 108 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.931 109.4 52.3 -58.1 -46.5 32.4 -0.4 52.0 111 109 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.932 112.7 41.7 -57.9 -51.1 35.1 -2.0 54.2 112 110 A H H X S+ 0 0 10 -4,-2.1 4,-3.2 1,-0.2 -1,-0.2 0.898 111.8 56.7 -65.9 -37.2 33.7 -5.5 54.0 113 111 A H H < S+ 0 0 73 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.906 114.6 39.4 -57.7 -41.9 33.0 -5.1 50.3 114 112 A L H < S+ 0 0 76 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.862 125.6 34.6 -76.6 -38.6 36.6 -4.3 49.7 115 113 A A H < S- 0 0 15 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.833 75.7-157.9 -88.2 -35.9 38.2 -6.8 52.1 116 114 A K < + 0 0 126 -4,-3.2 2,-0.3 -5,-0.3 -4,-0.1 0.820 69.7 85.5 57.2 29.8 35.8 -9.8 51.9 117 115 A K S S- 0 0 69 -5,-0.2 -1,-0.3 17,-0.1 -2,-0.2 -0.852 98.4 -68.7-144.1 175.4 37.2 -10.7 55.3 118 116 A A - 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O 0 370D 0 -17,-2.4 -17,-3.8 -2,-0.4 2,-0.1 -0.975 48.7 -69.6-161.3 169.5 40.8 14.4 79.7 388 144 B P E - O 0 369D 0 0, 0.0 -19,-0.2 0, 0.0 2,-0.1 -0.377 38.6-149.6 -72.0 147.9 37.0 13.8 79.8 389 145 B G > - 0 0 0 -21,-1.8 4,-2.6 -2,-0.1 5,-0.2 -0.360 42.3 -78.1 -98.8-174.9 35.4 11.4 82.2 390 146 B X H > S+ 0 0 1 -23,-0.4 4,-2.4 1,-0.2 5,-0.2 0.932 128.4 44.6 -53.3 -56.2 32.1 9.5 81.6 391 147 B T H > S+ 0 0 61 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.888 115.0 49.0 -59.9 -38.8 29.6 12.3 82.3 392 148 B L H > S+ 0 0 30 -24,-0.9 4,-2.8 2,-0.2 -1,-0.2 0.908 110.3 50.8 -67.2 -41.5 31.6 14.8 80.2 393 149 B X H X S+ 0 0 0 -4,-2.6 4,-2.2 -25,-0.2 -2,-0.2 0.915 112.4 46.8 -61.9 -42.4 31.9 12.4 77.3 394 150 B R H X S+ 0 0 61 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.938 111.7 51.5 -63.1 -47.1 28.2 11.8 77.4 395 151 B S H X S+ 0 0 33 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.916 109.5 49.9 -54.7 -47.5 27.6 15.5 77.6 396 152 B Q H X S+ 0 0 7 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.928 113.7 44.6 -59.5 -46.9 29.8 16.1 74.6 397 153 B L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 7,-0.2 0.898 111.2 53.6 -65.4 -40.6 28.1 13.5 72.5 398 154 B R H < S+ 0 0 103 -4,-2.9 6,-0.2 1,-0.2 -2,-0.2 0.934 112.1 44.9 -59.0 -47.0 24.6 14.7 73.6 399 155 B T H < S+ 0 0 119 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.835 109.4 57.6 -66.2 -34.2 25.5 18.2 72.5 400 156 B H H < S+ 0 0 33 -4,-1.9 2,-0.3 1,-0.2 -1,-0.2 0.878 121.6 8.2 -66.5 -38.8 27.0 16.9 69.3 401 157 B T >< - 0 0 11 -4,-2.1 3,-1.2 3,-0.1 -1,-0.2 -0.993 50.8-144.2-151.1 142.0 23.8 15.2 68.2 402 158 B R T 3 S+ 0 0 188 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.1 0.631 95.7 79.1 -73.7 -14.3 20.1 14.9 69.1 403 159 B R T 3 S+ 0 0 112 1,-0.2 2,-0.8 -346,-0.1 -1,-0.2 0.575 79.1 77.2 -69.8 -10.3 20.3 11.3 68.0 404 160 B I < + 0 0 16 -3,-1.2 2,-0.3 -6,-0.2 -1,-0.2 -0.812 61.6 122.0-108.3 95.0 21.9 10.4 71.3 405 161 B R + 0 0 134 -2,-0.8 2,-0.3 2,-0.0 20,-0.1 -0.936 23.0 140.2-154.4 125.8 19.3 10.3 74.1 406 162 B Y - 0 0 51 -2,-0.3 2,-0.0 18,-0.1 -2,-0.0 -0.983 45.6 -83.5-160.0 167.1 18.3 7.6 76.5 407 163 B D > - 0 0 111 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.284 32.7-120.3 -74.5 159.2 17.3 6.7 80.1 408 164 B D H > S+ 0 0 117 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.883 116.1 55.6 -64.4 -39.3 19.6 6.1 83.0 409 165 B A H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.928 109.3 44.6 -59.7 -47.2 18.1 2.6 83.3 410 166 B E H > S+ 0 0 72 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.875 113.2 53.5 -65.2 -35.6 18.9 1.9 79.6 411 167 B A H X S+ 0 0 11 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.942 110.3 44.5 -64.0 -49.4 22.4 3.4 80.2 412 168 B R H < S+ 0 0 168 -4,-3.2 3,-0.5 1,-0.2 -1,-0.2 0.880 110.1 56.8 -63.1 -37.3 23.1 1.2 83.2 413 169 B R H >< S+ 0 0 163 -4,-2.2 3,-1.5 -5,-0.3 -1,-0.2 0.906 100.4 60.0 -59.3 -42.3 21.8 -1.8 81.4 414 170 B A H >< S+ 0 0 3 -4,-1.8 3,-1.0 1,-0.3 -1,-0.2 0.804 93.4 63.7 -56.6 -36.5 24.3 -1.2 78.6 415 171 B L T 3< S+ 0 0 50 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.459 73.0 92.7 -73.6 0.7 27.4 -1.6 80.8 416 172 B A T < S+ 0 0 94 -3,-1.5 2,-0.3 -4,-0.2 -1,-0.2 0.577 99.2 21.0 -70.1 -7.7 26.7 -5.2 81.5 417 173 B S < - 0 0 45 -3,-1.0 -1,-0.1 2,-0.1 4,-0.0 -0.984 57.4-151.2-155.2 156.7 28.9 -6.1 78.6 418 174 B L + 0 0 43 -2,-0.3 3,-0.1 15,-0.0 -3,-0.1 0.220 60.2 118.7-114.9 11.0 31.6 -4.5 76.5 419 175 B Q S S- 0 0 89 1,-0.2 -277,-0.1 -219,-0.0 -2,-0.1 -0.252 83.7 -59.2 -70.4 165.5 30.9 -6.4 73.3 420 176 B P - 0 0 9 0, 0.0 -1,-0.2 0, 0.0 -277,-0.2 -0.169 62.1-116.4 -49.5 131.1 29.9 -4.4 70.2 421 177 B G B -J 142 0C 0 -279,-2.1 -279,-2.2 5,-0.1 -328,-0.1 -0.438 23.9-170.4 -73.4 144.4 26.7 -2.3 70.8 422 178 B Q S S+ 0 0 74 -281,-0.2 -327,-2.8 -2,-0.1 -326,-0.5 0.092 74.3 37.7-120.3 20.3 23.6 -3.0 68.8 423 179 B A S > S- 0 0 21 -281,-0.2 4,-2.3 -329,-0.2 3,-0.3 -0.937 94.3 -99.0-161.0 158.7 21.6 0.0 69.9 424 180 B T H > S+ 0 0 32 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.863 120.1 49.5 -55.4 -44.7 22.6 3.7 70.5 425 181 B A H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.866 112.9 49.0 -65.4 -35.1 22.9 3.3 74.3 426 182 B E H > S+ 0 0 50 -3,-0.3 4,-1.9 2,-0.2 5,-0.3 0.922 113.2 44.8 -70.5 -43.6 25.0 0.2 74.0 427 183 B A H X S+ 0 0 0 -4,-2.3 -283,-2.3 3,-0.2 4,-1.8 0.920 118.9 42.9 -66.1 -45.2 27.4 1.8 71.5 428 184 B V H X S+ 0 0 1 -4,-2.5 4,-2.7 -285,-0.2 5,-0.3 0.960 117.5 42.4 -66.9 -55.4 27.8 5.0 73.4 429 185 B E H X S+ 0 0 2 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.902 121.2 41.4 -61.4 -42.7 28.1 3.7 77.0 430 186 B R H X S+ 0 0 23 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.858 114.0 53.7 -74.4 -33.2 30.4 0.8 76.0 431 187 B G H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.978 112.1 43.0 -63.1 -54.9 32.4 3.1 73.6 432 188 B C H X S+ 0 0 0 -4,-2.7 4,-2.3 -288,-0.6 -2,-0.2 0.870 114.3 50.6 -59.5 -41.3 33.0 5.7 76.3 433 189 B L H X S+ 0 0 12 -4,-1.8 4,-3.2 -5,-0.3 -1,-0.2 0.886 110.5 49.4 -66.5 -37.7 33.8 3.1 79.0 434 190 B L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.886 110.2 51.2 -67.5 -35.7 36.3 1.4 76.6 435 191 B X H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.913 112.9 46.3 -65.3 -40.4 37.9 4.8 75.9 436 192 B L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.944 114.8 45.2 -66.3 -48.7 38.1 5.3 79.7 437 193 B R H X S+ 0 0 24 -4,-3.2 4,-1.5 1,-0.2 -1,-0.2 0.834 112.6 54.4 -64.4 -30.3 39.5 1.8 80.3 438 194 B G H X S+ 0 0 1 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.897 105.1 51.5 -70.1 -40.9 41.9 2.5 77.4 439 195 B F H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.903 108.0 52.8 -62.1 -42.3 43.2 5.7 78.8 440 196 B V H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.873 107.3 51.0 -62.6 -39.4 44.0 3.9 82.1 441 197 B R H X S+ 0 0 108 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.849 109.8 50.7 -67.6 -33.0 46.0 1.2 80.3 442 198 B E H X S+ 0 0 25 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.924 110.0 50.3 -68.2 -44.1 48.0 3.9 78.5 443 199 B Q H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.918 109.4 50.6 -60.2 -44.3 48.7 5.6 81.8 444 200 B Y H X S+ 0 0 91 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.903 111.8 48.0 -60.8 -40.7 49.9 2.3 83.3 445 201 B A H X S+ 0 0 53 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.915 111.0 50.6 -65.4 -43.1 52.2 1.8 80.4 446 202 B X H X S+ 0 0 33 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.871 111.2 49.5 -63.2 -35.7 53.5 5.3 80.6 447 203 B A H X>S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-1.2 0.906 106.7 52.4 -70.6 -43.5 54.2 4.8 84.3 448 204 B C H <5S+ 0 0 28 -4,-2.2 4,-0.5 3,-0.2 -1,-0.2 0.875 114.0 48.6 -59.1 -33.8 56.0 1.5 83.9 449 205 B E H <5S+ 0 0 150 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.941 124.0 24.4 -71.6 -52.9 58.2 3.4 81.4 450 206 B L H <5S+ 0 0 54 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.743 136.8 28.5 -88.4 -25.2 59.1 6.5 83.3 451 207 B L T <5S- 0 0 30 -4,-3.1 -3,-0.2 -5,-0.3 -91,-0.2 0.675 109.9-105.0-108.9 -24.4 58.7 5.2 86.9 452 208 B G > < - 0 0 22 -5,-1.2 3,-1.6 -4,-0.5 -1,-0.2 -0.159 34.3 -85.1 110.1 152.7 59.5 1.5 86.6 453 209 B P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.594 123.5 69.3 -67.8 -7.7 57.1 -1.5 86.8 454 210 B D T 3 S+ 0 0 116 -6,-0.2 -2,-0.1 -3,-0.1 -6,-0.1 0.536 71.6 124.5 -86.9 -9.5 57.4 -1.2 90.6 455 211 B C < - 0 0 13 -3,-1.6 2,-0.3 -8,-0.1 -94,-0.2 -0.096 62.8-116.0 -56.8 148.4 55.5 2.1 90.9 456 212 B E E -n 361 0D 42 -96,-2.7 -94,-2.9 18,-0.0 2,-0.5 -0.623 24.9-144.6 -84.6 144.2 52.5 2.4 93.2 457 213 B I E -n 362 0D 14 -2,-0.3 18,-2.8 16,-0.3 2,-0.4 -0.941 13.1-170.2-115.5 130.7 49.1 3.1 91.7 458 214 B F E -np 363 475D 0 -96,-3.1 -94,-2.6 -2,-0.5 2,-0.4 -0.969 0.8-169.5-120.8 130.6 46.4 5.2 93.3 459 215 B L E +np 364 476D 0 16,-2.8 18,-3.3 -2,-0.4 2,-0.2 -0.968 14.3 160.2-120.4 135.3 42.9 5.6 92.0 460 216 B T E +n 365 0D 11 -96,-2.2 -94,-2.7 -2,-0.4 3,-0.1 -0.798 27.8 74.8-139.8 180.0 40.4 8.1 93.3 461 217 B G S > S- 0 0 23 17,-0.3 3,-1.4 -96,-0.3 4,-0.2 0.076 87.1 -79.6 91.0 154.6 37.1 9.7 92.0 462 218 B G T 3 S+ 0 0 73 1,-0.3 3,-0.5 2,-0.1 -95,-0.2 0.737 125.2 54.7 -64.4 -25.2 33.6 8.2 91.8 463 219 B D T > S+ 0 0 41 -97,-2.8 3,-0.7 1,-0.2 4,-0.4 0.173 72.3 107.2 -96.1 19.2 34.3 6.2 88.6 464 220 B A G X> S+ 0 0 3 -3,-1.4 4,-1.7 1,-0.2 3,-1.4 0.862 72.0 62.7 -63.5 -34.1 37.3 4.3 90.0 465 221 B E G 34 S+ 0 0 121 -3,-0.5 4,-0.4 1,-0.3 -1,-0.2 0.821 92.5 64.0 -61.7 -31.3 35.3 1.1 90.3 466 222 B L G <4 S+ 0 0 49 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.682 118.3 24.0 -66.7 -17.5 34.8 1.1 86.5 467 223 B V T X4 S+ 0 0 0 -3,-1.4 3,-1.8 -4,-0.4 4,-0.3 0.547 91.4 94.9-125.8 -9.8 38.5 0.6 85.9 468 224 B R G >< S+ 0 0 92 -4,-1.7 3,-1.6 1,-0.3 6,-0.3 0.753 75.8 68.3 -58.7 -27.6 40.1 -0.9 89.0 469 225 B D G > S+ 0 0 103 -4,-0.4 3,-0.5 1,-0.3 -1,-0.3 0.778 91.6 63.7 -63.3 -24.2 39.9 -4.5 87.7 470 226 B E G < S+ 0 0 29 -3,-1.8 -1,-0.3 1,-0.3 2,-0.2 0.718 111.1 36.9 -70.7 -20.5 42.5 -3.4 85.1 471 227 B L G X - 0 0 16 -3,-1.6 3,-3.2 -4,-0.3 -1,-0.3 -0.627 67.3-179.8-134.8 75.3 45.0 -2.9 88.0 472 228 B A T < S+ 0 0 98 -3,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.801 85.5 51.0 -43.9 -39.5 44.4 -5.5 90.7 473 229 B G T 3 S+ 0 0 66 2,-0.1 -1,-0.3 -4,-0.1 -16,-0.3 0.533 84.4 124.4 -80.9 -4.3 47.2 -4.0 92.8 474 230 B A < - 0 0 10 -3,-3.2 2,-0.7 -6,-0.3 -16,-0.2 -0.179 60.7-131.1 -58.1 145.8 45.8 -0.5 92.6 475 231 B R E -p 458 0D 104 -18,-2.8 -16,-2.8 2,-0.0 2,-0.6 -0.885 18.3-153.9-102.7 109.1 45.0 1.4 95.8 476 232 B I E +p 459 0D 38 -2,-0.7 -16,-0.2 -18,-0.2 -18,-0.1 -0.750 20.5 169.9 -87.2 119.5 41.5 2.8 95.6 477 233 B X > - 0 0 51 -18,-3.3 3,-1.9 -2,-0.6 -16,-0.2 -0.777 17.9-177.1-135.7 91.6 41.2 5.9 97.9 478 234 B P T 3 S+ 0 0 76 0, 0.0 -17,-0.3 0, 0.0 3,-0.3 0.796 90.4 45.7 -54.9 -30.3 38.0 8.0 97.6 479 235 B D T >> S+ 0 0 48 1,-0.2 3,-1.3 2,-0.1 4,-1.0 0.141 71.4 122.8-103.7 20.7 39.3 10.5 100.1 480 236 B L H X> S+ 0 0 0 -3,-1.9 4,-1.4 1,-0.3 3,-1.0 0.868 72.1 57.2 -47.4 -47.1 42.9 10.9 98.7 481 237 B V H 3> S+ 0 0 11 -3,-0.3 4,-1.6 1,-0.3 -1,-0.3 0.835 102.3 55.4 -57.7 -33.2 42.5 14.6 98.4 482 238 B F H <> S+ 0 0 1 -3,-1.3 4,-1.5 2,-0.2 -1,-0.3 0.753 99.3 59.5 -73.9 -23.2 41.7 15.0 102.1 483 239 B V H