==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-DEC-01 1KKH . COMPND 2 MOLECULE: MEVALONATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR D.YANG,L.W.SHIPMAN,C.A.ROESSNER,A.I.SCOTT,J.C.SACCHETTINI . 317 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14962.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 19 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 2 2 0 0 0 2 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 0 3 1 2 1 0 0 1 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 1 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 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 P > 0 0 152 0, 0.0 3,-1.6 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 132.0 19.6 27.9 17.9 2 2 A R T 3 - 0 0 252 1,-0.3 0, 0.0 2,-0.0 0, 0.0 -0.243 360.0 -12.0 -55.1 122.7 20.7 28.9 14.4 3 3 A G T 3 S+ 0 0 72 1,-0.2 -1,-0.3 -2,-0.0 0, 0.0 0.539 89.9 170.6 64.1 10.2 24.4 28.7 13.7 4 4 A S < - 0 0 77 -3,-1.6 -1,-0.2 1,-0.1 2,-0.1 -0.076 28.7-130.7 -54.0 147.0 25.3 28.2 17.4 5 5 A H - 0 0 74 1,-0.1 2,-0.4 37,-0.0 37,-0.1 -0.398 43.4 -76.7 -87.7 173.4 28.8 27.4 18.4 6 6 A M E -A 41 0A 72 35,-0.9 35,-1.9 -2,-0.1 2,-0.4 -0.584 60.2-178.0 -70.4 127.9 29.4 24.5 20.8 7 7 A I E -A 40 0A 88 -2,-0.4 2,-0.5 33,-0.2 33,-0.2 -0.974 16.9-162.2-139.7 129.4 28.6 25.8 24.3 8 8 A I E -A 39 0A 19 31,-2.9 31,-2.9 -2,-0.4 2,-0.5 -0.905 1.4-168.8-110.3 124.7 28.9 24.2 27.7 9 9 A E E -A 38 0A 114 -2,-0.5 29,-0.2 29,-0.2 -2,-0.0 -0.949 15.9-177.3-108.7 125.9 27.1 25.5 30.7 10 10 A T E -A 37 0A 0 27,-2.4 27,-2.6 -2,-0.5 155,-0.1 -0.982 20.0-110.5-131.9 145.2 28.2 23.9 34.0 11 11 A P E - 0 0 6 0, 0.0 2,-0.2 0, 0.0 23,-0.2 0.081 16.4-130.8 -61.2 171.1 27.1 24.2 37.7 12 12 A S E -A 33 0A 0 21,-1.7 21,-1.6 23,-0.1 2,-0.3 -0.494 26.8-129.7-110.1 179.9 28.6 25.7 40.8 13 13 A K E -A 32 0A 10 101,-2.7 2,-0.4 19,-0.2 19,-0.2 -0.990 17.7-170.8-144.9 148.3 28.8 23.8 44.1 14 14 A V E -A 31 0A 1 17,-1.7 17,-2.3 -2,-0.3 2,-0.8 -0.998 21.8-134.0-137.8 136.6 28.0 24.3 47.8 15 15 A I E -A 30 0A 16 -2,-0.4 265,-0.3 98,-0.3 15,-0.3 -0.797 19.5-177.0 -91.4 113.0 28.8 22.3 50.9 16 16 A L E + 0 0 0 13,-2.6 2,-0.3 -2,-0.8 14,-0.2 0.867 67.3 5.5 -74.5 -39.4 25.7 22.0 53.0 17 17 A F E S+A 29 0A 0 12,-1.4 12,-2.3 1,-0.1 -1,-0.2 -0.998 112.8 31.9-149.4 147.3 27.2 20.1 55.9 18 18 A G > + 0 0 0 -2,-0.3 4,-2.0 10,-0.2 -1,-0.1 0.664 55.4 162.3 86.1 19.6 30.6 18.9 57.1 19 19 A E T 4 S+ 0 0 12 1,-0.2 4,-0.2 2,-0.2 262,-0.1 0.828 80.8 15.6 -36.3 -62.2 32.9 21.6 55.7 20 20 A H T >4 S+ 0 0 7 1,-0.1 3,-0.7 2,-0.1 4,-0.3 0.678 116.2 71.1 -95.0 -16.2 36.0 20.9 57.9 21 21 A A G >4>S+ 0 0 0 1,-0.2 3,-2.8 2,-0.2 5,-1.4 0.878 83.7 69.8 -64.7 -40.4 35.0 17.4 59.2 22 22 A V G ><5S+ 0 0 28 -4,-2.0 3,-1.8 1,-0.3 -1,-0.2 0.802 88.1 66.3 -49.6 -33.3 35.6 15.8 55.8 23 23 A V G < 5S+ 0 0 82 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.810 103.8 46.6 -60.4 -26.4 39.3 16.3 56.2 24 24 A Y G < 5S- 0 0 88 -3,-2.8 -1,-0.3 -4,-0.3 -2,-0.2 0.130 128.7 -89.7-104.7 22.4 39.1 13.9 59.1 25 25 A G T < 5S+ 0 0 20 -3,-1.8 -3,-0.2 148,-0.3 -2,-0.1 0.416 88.0 123.6 90.0 -4.5 37.1 11.1 57.5 26 26 A Y < - 0 0 46 -5,-1.4 -1,-0.3 1,-0.1 2,-0.2 -0.198 66.4 -83.6 -80.1-178.9 33.6 12.4 58.4 27 27 A R - 0 0 27 -3,-0.1 2,-0.3 147,-0.1 146,-0.2 -0.512 34.1-170.0 -88.8 155.3 30.9 13.1 55.9 28 28 A A E - B 0 172A 0 144,-1.9 144,-2.9 -2,-0.2 2,-0.4 -0.939 9.4-153.5-133.1 152.0 30.2 16.2 53.9 29 29 A I E +AB 17 171A 0 -12,-2.3 -13,-2.6 -2,-0.3 -12,-1.4 -0.945 19.5 174.9-134.2 112.2 27.1 16.8 51.9 30 30 A S E -AB 15 170A 0 140,-1.7 140,-2.7 -2,-0.4 2,-0.4 -0.827 12.7-157.1-117.9 158.2 27.3 19.1 48.9 31 31 A M E -AB 14 169A 1 -17,-2.3 -17,-1.7 -2,-0.3 138,-0.2 -0.989 19.1-121.6-137.7 139.4 24.9 20.1 46.2 32 32 A A E -A 13 0A 0 136,-2.4 284,-2.1 -2,-0.4 2,-0.3 -0.535 38.2-163.2 -76.1 148.9 25.2 21.4 42.7 33 33 A I E -AC 12 315A 1 -21,-1.6 -21,-1.7 282,-0.3 282,-0.2 -0.927 31.8-101.8-138.0 162.6 23.5 24.8 42.0 34 34 A D E S+ 0 0 66 280,-1.7 2,-0.8 -2,-0.3 279,-0.1 0.537 85.3 101.8 -50.4 -26.3 22.2 27.3 39.4 35 35 A L E + 0 0 14 279,-0.1 -2,-0.2 276,-0.1 2,-0.2 -0.625 63.6 179.8 -69.2 112.1 25.2 29.7 39.5 36 36 A T E - 0 0 7 -2,-0.8 71,-2.4 -25,-0.2 72,-0.4 -0.660 33.4-137.2-119.8 170.0 26.9 28.6 36.4 37 37 A S E -AD 10 106A 0 -27,-2.6 -27,-2.4 69,-0.2 2,-0.4 -0.862 19.0-147.8-115.8 157.1 29.9 29.1 34.1 38 38 A T E -AD 9 105A 37 67,-3.6 67,-2.2 -2,-0.3 2,-0.5 -0.987 10.4-171.6-130.4 125.6 29.7 29.1 30.3 39 39 A I E -AD 8 104A 0 -31,-2.9 -31,-2.9 -2,-0.4 2,-0.4 -0.955 2.3-170.2-122.5 119.6 32.4 27.9 28.0 40 40 A E E -AD 7 103A 48 63,-2.9 63,-2.6 -2,-0.5 2,-0.4 -0.890 3.2-172.1-107.4 134.3 32.2 28.4 24.2 41 41 A I E +AD 6 102A 2 -35,-1.9 -35,-0.9 -2,-0.4 2,-0.3 -0.994 12.6 158.5-130.8 130.2 34.6 26.8 21.9 42 42 A K E - D 0 101A 61 59,-2.6 59,-3.6 -2,-0.4 -37,-0.0 -0.967 38.3 -95.0-146.4 160.5 34.9 27.4 18.1 43 43 A E E + D 0 100A 126 -2,-0.3 57,-0.3 57,-0.3 58,-0.0 -0.274 29.7 169.9 -75.2 160.7 37.4 27.1 15.3 44 44 A T - 0 0 37 55,-0.8 56,-0.2 56,-0.0 -1,-0.1 0.352 28.0-148.0-145.2 -14.0 39.7 29.8 14.0 45 45 A Q + 0 0 124 54,-0.6 -2,-0.1 1,-0.2 55,-0.0 0.832 66.0 115.0 38.1 47.2 42.1 27.9 11.6 46 46 A E S S- 0 0 127 2,-0.2 -1,-0.2 54,-0.0 3,-0.1 0.260 89.6-111.3-118.9 2.7 44.9 30.3 12.5 47 47 A D S S+ 0 0 99 1,-0.1 17,-1.2 16,-0.1 2,-0.3 0.706 82.0 92.7 75.1 24.0 46.8 27.4 14.0 48 48 A E E S-E 63 0A 59 15,-0.2 52,-0.4 16,-0.1 2,-0.3 -0.978 72.8-115.0-154.7 142.7 46.7 28.5 17.6 49 49 A I E -E 62 0A 1 13,-1.4 13,-2.9 -2,-0.3 2,-0.5 -0.517 30.5-165.0 -71.3 128.1 44.6 28.1 20.8 50 50 A I E -Ef 61 101A 21 50,-2.4 52,-2.6 -2,-0.3 2,-0.5 -0.949 1.7-162.3-118.7 119.6 43.0 31.4 21.9 51 51 A L E -Ef 60 102A 1 9,-3.3 9,-2.4 -2,-0.5 2,-0.5 -0.852 4.9-169.1-102.7 136.2 41.6 31.8 25.5 52 52 A N E -Ef 59 103A 26 50,-2.4 52,-2.7 -2,-0.5 2,-1.1 -0.952 14.5-168.8-129.1 114.2 39.2 34.6 26.3 53 53 A L E >>> -Ef 58 104A 18 5,-2.6 3,-2.4 -2,-0.5 4,-1.6 -0.700 12.4-179.7-100.2 80.2 38.1 35.5 29.8 54 54 A N T 345S+ 0 0 65 -2,-1.1 -1,-0.2 50,-0.7 3,-0.2 0.840 78.4 58.0 -48.6 -44.1 35.2 37.8 28.9 55 55 A D T 345S+ 0 0 96 49,-0.9 -1,-0.3 1,-0.2 50,-0.1 0.672 120.0 31.3 -64.0 -15.4 34.4 38.6 32.5 56 56 A L T <45S- 0 0 93 -3,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.513 100.7-128.9-117.4 -7.8 38.0 39.9 32.9 57 57 A N T <5 + 0 0 147 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.923 64.3 135.0 57.1 43.2 38.6 41.2 29.4 58 58 A K E < -E 53 0A 90 -5,-1.3 -5,-2.6 2,-0.0 2,-0.3 -0.904 33.7-170.6-118.7 151.7 41.8 39.1 29.3 59 59 A S E -E 52 0A 74 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.974 8.4-163.6-142.3 157.1 43.0 37.0 26.4 60 60 A L E -E 51 0A 35 -9,-2.4 -9,-3.3 -2,-0.3 2,-0.5 -0.997 2.0-163.9-143.5 135.0 45.7 34.5 25.7 61 61 A G E +E 50 0A 37 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.981 14.5 169.9-123.3 126.0 47.1 33.1 22.5 62 62 A L E -E 49 0A 10 -13,-2.9 -13,-1.4 -2,-0.5 2,-0.1 -0.965 33.1-115.2-131.7 147.7 49.2 29.9 22.3 63 63 A N E >> -E 48 0A 69 -2,-0.3 3,-0.9 -15,-0.3 4,-0.7 -0.389 30.3-114.1 -75.2 164.4 50.4 27.8 19.4 64 64 A L T 34 S+ 0 0 31 -17,-1.2 4,-0.4 1,-0.2 3,-0.2 0.745 115.0 59.0 -70.0 -26.1 49.1 24.3 19.0 65 65 A N T 34 S+ 0 0 113 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.601 101.3 56.3 -81.6 -8.2 52.6 22.9 19.6 66 66 A E T X4 S+ 0 0 86 -3,-0.9 3,-0.7 1,-0.1 -1,-0.2 0.725 85.3 78.4 -93.4 -27.0 52.9 24.6 23.1 67 67 A I G >< S+ 0 0 2 -4,-0.7 3,-1.5 1,-0.2 19,-0.1 0.873 91.4 47.5 -52.5 -52.4 49.8 23.2 24.9 68 68 A K G 3 S+ 0 0 136 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.763 119.1 45.4 -62.9 -24.5 50.9 19.7 25.9 69 69 A N G < S+ 0 0 123 -3,-0.7 -1,-0.3 -4,-0.2 2,-0.3 0.192 86.4 109.5-106.5 14.9 54.1 21.3 27.2 70 70 A I < - 0 0 18 -3,-1.5 3,-0.1 -4,-0.1 -3,-0.0 -0.647 64.2-133.4 -91.2 153.1 52.9 24.3 29.1 71 71 A N > - 0 0 84 -2,-0.3 3,-1.8 1,-0.2 4,-0.2 -0.920 15.8-149.7-100.9 112.3 53.1 24.5 32.8 72 72 A P G > S+ 0 0 0 0, 0.0 3,-2.3 0, 0.0 -1,-0.2 0.848 90.3 66.5 -52.6 -40.0 49.7 25.8 33.9 73 73 A N G 3 S+ 0 0 71 1,-0.3 3,-0.3 2,-0.1 6,-0.0 0.434 91.1 67.0 -66.1 5.2 50.9 27.6 37.0 74 74 A N G < S+ 0 0 116 -3,-1.8 -1,-0.3 1,-0.2 -4,-0.0 0.500 94.8 58.7 -97.0 -9.6 52.8 30.0 34.7 75 75 A F S X S- 0 0 52 -3,-2.3 3,-2.6 1,-0.2 4,-0.4 -0.092 80.5-158.2-116.5 37.5 49.5 31.5 33.3 76 76 A G G > S+ 0 0 44 -3,-0.3 3,-1.6 1,-0.3 4,-0.3 0.130 78.8 16.1 30.1-112.9 47.6 32.9 36.3 77 77 A D G 3 S+ 0 0 99 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.670 128.1 54.8 -62.4 -18.5 43.9 33.2 35.6 78 78 A F G <> S+ 0 0 20 -3,-2.6 4,-3.1 1,-0.2 5,-0.3 0.487 79.0 98.8 -92.9 -6.6 44.1 30.9 32.6 79 79 A K H <> S+ 0 0 47 -3,-1.6 4,-2.1 -4,-0.4 -1,-0.2 0.843 82.0 44.9 -53.6 -43.4 45.7 28.0 34.5 80 80 A Y H > S+ 0 0 33 -4,-0.3 4,-2.6 -3,-0.2 -1,-0.2 0.964 118.6 42.2 -68.2 -49.5 42.6 25.8 35.1 81 81 A C H > S+ 0 0 3 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.947 116.6 48.7 -59.8 -48.9 41.2 26.2 31.7 82 82 A L H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.883 113.6 47.7 -59.2 -37.9 44.6 25.7 30.1 83 83 A C H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.863 106.9 55.3 -73.2 -36.3 45.2 22.7 32.2 84 84 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.892 110.0 49.2 -61.1 -39.1 41.8 21.2 31.4 85 85 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.965 111.3 45.2 -65.0 -56.7 42.8 21.5 27.8 86 86 A K H X S+ 0 0 15 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.914 117.6 45.8 -54.8 -46.1 46.2 19.9 28.0 87 87 A N H X S+ 0 0 21 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.879 113.0 47.7 -66.9 -41.3 44.8 17.0 30.2 88 88 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.927 110.7 54.7 -65.4 -43.0 41.7 16.3 28.0 89 89 A L H <>S+ 0 0 8 -4,-2.5 5,-2.9 1,-0.2 4,-0.2 0.925 112.6 38.2 -59.7 -51.4 43.9 16.3 24.9 90 90 A D H <5S+ 0 0 87 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.753 112.8 57.6 -78.3 -15.0 46.4 13.7 26.0 91 91 A Y H <5S+ 0 0 103 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.901 112.8 40.8 -72.9 -40.4 43.7 11.6 27.8 92 92 A L T <5S- 0 0 12 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.439 113.9-125.7 -82.6 -2.2 41.8 11.5 24.4 93 93 A N T 5 + 0 0 132 -4,-0.2 2,-0.4 1,-0.2 -3,-0.2 0.875 58.1 151.1 58.3 40.0 45.2 11.0 22.8 94 94 A I < - 0 0 34 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.859 38.3-163.0-107.5 135.9 44.6 13.9 20.4 95 95 A E - 0 0 146 -2,-0.4 -30,-0.1 -5,-0.0 -31,-0.0 -0.949 36.6-119.3-114.9 103.9 47.2 16.1 18.9 96 96 A P - 0 0 27 0, 0.0 3,-0.1 0, 0.0 -32,-0.0 -0.141 31.1-178.3 -45.6 130.3 45.3 19.2 17.7 97 97 A K + 0 0 175 1,-0.1 2,-0.3 2,-0.1 -33,-0.1 0.537 69.4 39.3-107.2 -14.1 45.6 19.7 14.0 98 98 A T S S- 0 0 39 -34,-0.1 -1,-0.1 -52,-0.0 2,-0.0 -0.959 82.3-111.3-137.6 154.8 43.5 22.9 14.0 99 99 A G - 0 0 0 -2,-0.3 -55,-0.8 -3,-0.1 -54,-0.6 -0.234 28.4-174.2 -81.7 169.7 43.1 25.9 16.2 100 100 A F E -D 43 0A 0 -52,-0.4 -50,-2.4 -57,-0.3 2,-0.4 -0.982 17.5-135.5-158.5 159.3 40.2 27.0 18.3 101 101 A K E -Df 42 50A 57 -59,-3.6 -59,-2.6 -2,-0.3 2,-0.4 -0.951 15.2-160.8-121.7 142.1 39.0 29.8 20.5 102 102 A I E -Df 41 51A 0 -52,-2.6 -50,-2.4 -2,-0.4 2,-0.5 -0.987 0.8-163.0-127.1 128.8 37.4 29.5 23.9 103 103 A N E -Df 40 52A 26 -63,-2.6 -63,-2.9 -2,-0.4 2,-0.4 -0.955 9.8-160.3-115.0 133.4 35.2 32.1 25.6 104 104 A I E +Df 39 53A 5 -52,-2.7 -49,-0.9 -2,-0.5 -50,-0.7 -0.934 14.6 170.8-119.0 130.9 34.6 31.9 29.3 105 105 A S E -D 38 0A 37 -67,-2.2 -67,-3.6 -2,-0.4 2,-0.4 -0.996 7.8-175.3-135.9 139.0 31.9 33.5 31.3 106 106 A S E -D 37 0A 26 -2,-0.4 -69,-0.2 -69,-0.3 -71,-0.0 -0.999 24.6-174.8-139.9 137.8 31.1 32.8 34.9 107 107 A K + 0 0 155 -71,-2.4 -70,-0.1 -2,-0.4 -1,-0.1 0.408 61.4 110.6-103.4 -2.9 28.4 34.0 37.2 108 108 A I S S- 0 0 6 -72,-0.4 -2,-0.0 8,-0.1 7,-0.0 -0.570 72.3-122.2 -79.5 125.8 30.1 32.1 40.1 109 109 A P - 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0 0 99 -5,-1.8 -1,-0.1 -6,-0.0 -4,-0.1 -0.461 45.5-168.7-141.4 63.3 34.5 12.4 21.5 135 135 A E - 0 0 101 -5,-0.1 2,-0.2 -6,-0.1 -9,-0.1 -0.318 8.2-146.7 -63.5 137.6 32.2 12.8 24.5 136 136 A L - 0 0 13 1,-0.1 2,-0.1 -10,-0.1 -1,-0.1 -0.599 18.1-105.1-100.0 161.3 33.4 11.2 27.8 137 137 A K > - 0 0 120 -2,-0.2 4,-2.4 1,-0.1 3,-0.4 -0.434 33.9-107.4 -83.9 159.0 31.4 9.6 30.5 138 138 A D H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.767 119.0 68.6 -55.0 -23.4 30.8 11.3 33.8 139 139 A D H > S+ 0 0 87 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.960 107.2 30.5 -58.2 -63.1 33.3 8.7 35.0 140 140 A E H > S+ 0 0 26 -3,-0.4 4,-2.9 2,-0.2 5,-0.2 0.841 116.6 59.1 -73.7 -30.8 36.3 10.1 33.2 141 141 A I H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 3,-0.2 0.983 105.9 46.8 -61.5 -56.6 35.2 13.7 33.3 142 142 A A H X S+ 0 0 6 -4,-2.2 4,-2.3 1,-0.3 -1,-0.2 0.877 115.1 50.0 -51.6 -38.4 35.0 13.8 37.1 143 143 A K H X S+ 0 0 116 -4,-1.3 4,-2.7 1,-0.2 -1,-0.3 0.863 109.0 48.7 -70.1 -39.7 38.4 12.1 37.1 144 144 A L H X S+ 0 0 11 -4,-2.9 4,-1.6 -3,-0.2 -1,-0.2 0.893 110.6 52.7 -68.0 -35.4 40.0 14.6 34.7 145 145 A G H >X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 3,-0.9 0.986 111.3 46.6 -59.6 -55.6 38.6 17.4 36.8 146 146 A Y H 3X S+ 0 0 52 -4,-2.3 4,-2.5 1,-0.3 5,-0.2 0.920 110.9 51.1 -47.6 -56.7 40.2 15.9 39.9 147 147 A M H 3X S+ 0 0 85 -4,-2.7 4,-1.2 1,-0.2 -1,-0.3 0.755 107.5 54.7 -59.2 -25.0 43.5 15.4 38.2 148 148 A V H S+ 0 0 21 -2,-0.4 4,-3.0 1,-0.2 5,-0.4 0.571 82.3 97.0 -69.4 -14.3 36.9 15.0 44.6 159 159 A T H > S+ 0 0 8 2,-0.2 4,-2.5 3,-0.2 5,-0.3 0.874 86.3 34.1 -45.1 -63.8 34.2 17.2 46.1 160 160 A D H > S+ 0 0 50 -3,-0.4 4,-2.8 1,-0.2 5,-0.2 0.964 124.0 42.2 -57.8 -60.8 34.0 20.2 43.7 161 161 A T H > S+ 0 0 3 -4,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.792 119.4 44.0 -60.3 -35.9 34.7 18.3 40.5 162 162 A S H X S+ 0 0 6 -4,-3.0 4,-3.0 2,-0.2 5,-0.4 0.886 115.4 45.9 -80.7 -38.9 32.5 15.3 41.4 163 163 A T H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.4 -2,-0.2 0.941 116.8 45.7 -68.6 -42.2 29.6 17.3 42.7 164 164 A I H < S+ 0 0 1 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.867 117.8 45.4 -65.7 -35.4 29.7 19.6 39.7 165 165 A T H < S+ 0 0 0 -4,-1.2 -2,-0.2 -5,-0.2 -3,-0.2 0.949 125.1 27.7 -72.9 -54.8 30.1 16.6 37.4 166 166 A Y H < S- 0 0 59 -4,-3.0 -2,-0.2 -5,-0.1 -3,-0.2 0.583 99.5-164.1 -84.3 -13.4 27.4 14.3 38.7 167 167 A K < + 0 0 34 -4,-1.8 2,-0.2 -5,-0.4 150,-0.2 0.178 45.7 68.6 55.0-174.8 25.3 17.2 40.0 168 168 A G S S- 0 0 0 148,-2.1 -136,-2.4 -4,-0.1 2,-0.4 -0.443 102.3 -27.5 71.7-140.2 22.4 17.0 42.5 169 169 A I E -BG 31 180A 0 11,-0.6 11,-3.1 -138,-0.2 2,-0.4 -0.948 62.1-172.0-117.1 135.7 23.3 16.1 46.1 170 170 A L E -BG 30 179A 0 -140,-2.7 -140,-1.7 -2,-0.4 2,-0.6 -0.958 20.8-143.7-128.9 147.9 26.3 14.0 47.1 171 171 A E E -BG 29 178A 32 7,-3.5 7,-2.6 -2,-0.4 2,-0.4 -0.939 24.8-165.1-106.3 116.3 27.6 12.4 50.4 172 172 A I E +BG 28 177A 2 -144,-2.9 -144,-1.9 -2,-0.6 5,-0.2 -0.899 22.3 149.6-106.7 136.8 31.4 12.7 50.5 173 173 A K S S+ 0 0 78 3,-2.3 2,-0.5 -2,-0.4 -148,-0.3 0.542 70.1 0.9-127.2 -78.8 33.5 10.7 52.9 174 174 A N S S- 0 0 110 2,-0.1 3,-0.1 -150,-0.1 -147,-0.1 -0.584 121.8 -61.8-120.3 72.4 37.0 9.5 52.2 175 175 A N S S+ 0 0 81 -2,-0.5 2,-0.3 1,-0.2 -3,-0.0 0.833 120.0 101.2 55.1 32.0 37.6 10.9 48.8 176 176 A K - 0 0 109 2,-0.0 -3,-2.3 -5,-0.0 2,-0.4 -0.976 60.8-145.9-140.5 149.2 34.7 8.7 47.7 177 177 A F E -G 172 0A 69 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.926 13.7-161.2-128.7 151.5 31.1 9.7 47.1 178 178 A R E -G 171 0A 163 -7,-2.6 -7,-3.5 -2,-0.4 2,-0.2 -0.993 27.0-133.3-123.7 124.4 27.6 8.4 47.4 179 179 A K E -G 170 0A 68 -2,-0.5 2,-0.5 -9,-0.2 -9,-0.2 -0.556 18.1-138.7 -78.4 145.1 25.0 10.1 45.3 180 180 A I E +G 169 0A 21 -11,-3.1 -11,-0.6 -2,-0.2 2,-0.1 -0.933 35.8 145.1-115.5 120.6 21.7 11.1 47.1 181 181 A K >> + 0 0 122 -2,-0.5 4,-0.9 -13,-0.1 3,-0.8 -0.208 34.6 59.4-123.3-149.4 18.3 10.6 45.6 182 182 A G H 3> S- 0 0 51 1,-0.2 4,-1.9 2,-0.2 5,-0.1 -0.228 110.9 -8.7 63.1-144.6 14.9 9.7 46.8 183 183 A E H 3> S+ 0 0 153 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.796 132.4 51.5 -61.8 -35.4 13.1 11.8 49.4 184 184 A F H <> S+ 0 0 9 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.944 111.3 46.7 -71.0 -46.9 15.9 14.1 50.5 185 185 A E H X S+ 0 0 12 -4,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.913 111.4 54.1 -58.1 -41.8 16.7 15.2 46.9 186 186 A E H X S+ 0 0 90 -4,-1.9 4,-0.6 1,-0.2 3,-0.2 0.964 107.7 49.2 -56.6 -53.3 13.0 15.7 46.4 187 187 A F H >< S+ 0 0 21 -4,-2.3 3,-1.5 1,-0.2 4,-0.2 0.909 109.7 51.6 -52.0 -48.2 12.8 18.0 49.4 188 188 A L H >< S+ 0 0 0 -4,-2.4 3,-2.6 1,-0.3 127,-0.3 0.872 97.0 67.5 -60.4 -38.1 15.8 20.0 48.3 189 189 A K H 3< S+ 0 0 101 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.726 101.6 49.3 -54.5 -23.8 14.2 20.5 44.8 190 190 A N T << S+ 0 0 97 -3,-1.5 -1,-0.3 -4,-0.6 2,-0.2 0.431 94.3 98.7 -95.3 -2.2 11.5 22.6 46.6 191 191 A C < - 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