==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-MAR-12 4EB4 . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.DOWIERCIAL,A.JARMULA,W.R.RYPNIEWSKI,P.WILK,W.RODE . 1197 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45408.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 828 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 13.4 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 . 4 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 . 126 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 136 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 290 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 1.9 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 3 4 4 5 3 0 0 4 4 0 0 4 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 0 8 4 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 4 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 M 0 0 215 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 174.2 54.3 31.8 40.1 2 2 A L - 0 0 41 2,-0.0 2,-0.4 28,-0.0 252,-0.0 -0.988 360.0-170.8-109.6 125.5 52.2 28.6 40.6 3 3 A V + 0 0 77 -2,-0.5 2,-0.3 251,-0.1 254,-0.1 -0.931 8.3 176.0-120.1 142.0 53.1 26.7 43.7 4 4 A V - 0 0 46 -2,-0.4 254,-0.2 254,-0.1 253,-0.1 -0.940 37.8 -76.9-142.2 160.4 51.7 23.2 44.5 5 5 A G > - 0 0 12 252,-2.5 3,-1.4 -2,-0.3 4,-0.5 -0.307 42.5-121.6 -58.3 145.7 52.0 20.4 46.9 6 6 A S T 3 S+ 0 0 98 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.683 104.0 68.6 -65.5 -19.0 55.1 18.2 46.6 7 7 A E T 3 S+ 0 0 54 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.698 82.5 72.6 -81.2 -12.8 53.1 15.0 46.0 8 8 A L < + 0 0 1 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.906 67.2 159.0 -66.2 -38.0 51.8 16.1 42.5 9 9 A Q + 0 0 148 -4,-0.5 2,-0.4 -3,-0.4 -1,-0.2 -0.262 59.6 19.1 51.2-126.9 55.2 15.6 41.0 10 10 A S - 0 0 79 1,-0.1 13,-0.1 -3,-0.1 0, 0.0 -0.611 61.3-168.2 -79.1 130.5 54.8 15.2 37.3 11 11 A D + 0 0 11 -2,-0.4 2,-0.2 12,-0.1 16,-0.2 0.333 48.3 121.4 -95.5 5.7 51.4 16.4 36.0 12 12 A A 0 0 69 1,-0.1 12,-0.1 15,-0.0 -2,-0.1 -0.475 360.0 360.0 -76.0 137.3 51.9 14.8 32.6 13 13 A Q 0 0 87 -2,-0.2 -1,-0.1 10,-0.1 -2,-0.1 -0.679 360.0 360.0 -82.0 360.0 49.2 12.3 31.5 14 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 15 21 A R 0 0 207 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 174.3 50.2 7.7 45.9 16 22 A H > - 0 0 45 1,-0.1 4,-0.5 247,-0.1 3,-0.3 -0.927 360.0-142.0-160.9 136.3 46.6 8.7 45.0 17 23 A G H >> S+ 0 0 13 -2,-0.3 3,-1.4 1,-0.2 4,-0.7 0.886 108.9 63.1 -52.4 -37.5 43.7 8.6 42.5 18 24 A E H 3> S+ 0 0 1 1,-0.3 4,-2.1 2,-0.2 3,-0.3 0.805 90.0 66.4 -63.7 -30.7 43.0 12.1 43.7 19 25 A L H 3> S+ 0 0 4 -3,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.788 90.5 63.0 -62.7 -26.4 46.4 13.2 42.4 20 26 A Q H S+ 0 0 48 -4,-2.6 4,-3.5 2,-0.2 5,-0.6 0.894 108.4 48.5 -60.0 -43.1 48.4 21.0 33.8 28 34 A I H X5S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.929 113.1 48.3 -66.1 -39.2 45.6 23.4 32.5 29 35 A L H <5S+ 0 0 30 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.885 120.4 37.9 -64.3 -39.0 47.0 26.2 34.6 30 36 A R H <5S+ 0 0 153 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.899 136.7 13.6 -77.6 -46.1 50.5 25.6 33.3 31 37 A C H <5S+ 0 0 55 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.487 93.4 116.6-115.9 -8.7 49.8 24.6 29.7 32 38 A G << - 0 0 18 -4,-1.8 2,-0.4 -5,-0.6 14,-0.2 -0.233 55.2-129.4 -66.9 153.6 46.3 25.6 28.9 33 39 A F E -A 45 0A 111 12,-2.5 12,-1.7 1,-0.0 2,-0.2 -0.776 26.2-100.1-100.3 145.1 45.3 28.3 26.4 34 40 A K E +A 44 0A 99 -2,-0.4 2,-0.4 10,-0.2 462,-0.3 -0.451 46.7 175.5 -54.7 129.2 43.0 31.1 26.8 35 41 A K E -A 43 0A 7 8,-2.7 8,-2.2 -2,-0.2 460,-0.1 -0.966 24.2-137.6-145.9 124.6 39.5 30.4 25.4 36 42 A E - 0 0 89 -2,-0.4 2,-0.3 6,-0.2 5,-0.0 -0.257 30.4-161.7 -68.8 162.6 36.4 32.5 25.4 37 43 A D > - 0 0 16 1,-0.0 3,-2.0 428,-0.0 428,-0.1 -0.955 34.3 -92.6-153.0 167.4 33.1 30.8 26.1 38 44 A R T 3 S+ 0 0 109 -2,-0.3 427,-0.1 1,-0.3 -2,-0.0 0.752 117.8 53.8 -48.0 -42.0 29.4 30.7 26.0 39 45 A T T 3 S- 0 0 23 1,-0.1 -1,-0.3 261,-0.0 262,-0.2 0.560 106.7-122.0 -76.2 -17.0 28.9 32.2 29.5 40 46 A G S < S+ 0 0 62 -3,-2.0 -2,-0.1 260,-0.1 -1,-0.1 0.440 86.3 105.9 89.8 3.5 31.2 35.3 28.8 41 47 A T S S- 0 0 49 1,-0.0 -3,-0.1 206,-0.0 -5,-0.1 0.898 72.1-136.5 -86.1 -44.2 33.5 34.4 31.6 42 48 A G - 0 0 0 204,-0.1 205,-1.9 205,-0.1 2,-0.3 0.121 17.8-148.1 89.4 152.1 36.5 33.0 29.7 43 49 A T E -AB 35 246A 0 -8,-2.2 -8,-2.7 203,-0.2 2,-0.4 -0.922 21.9-121.7-141.6 167.2 38.6 30.0 30.5 44 50 A L E -AB 34 245A 34 201,-1.9 201,-2.7 -2,-0.3 2,-0.3 -0.935 51.0-172.5-105.8 134.1 42.1 28.3 30.4 45 51 A S E -AB 33 244A 2 -12,-1.7 -12,-2.5 -2,-0.4 2,-0.3 -0.976 30.3-174.7-140.6 145.6 41.5 25.2 28.3 46 52 A V E - B 0 243A 20 197,-2.3 197,-2.7 -2,-0.3 2,-0.6 -0.982 24.0-136.5-130.5 144.2 43.1 21.9 27.1 47 53 A F E S+ B 0 242A 7 -2,-0.3 195,-0.2 195,-0.2 194,-0.1 -0.909 72.5 17.8-106.2 121.1 41.4 19.5 24.7 48 54 A G E + 0 0 2 193,-2.5 2,-0.3 -2,-0.6 193,-0.2 0.763 64.7 161.4 92.3 98.6 41.6 15.8 25.4 49 55 A M E - B 0 240A 8 191,-1.6 191,-2.4 -3,-0.1 2,-0.3 -0.959 14.5-166.4-137.2 161.2 42.5 14.5 28.8 50 56 A Q E + B 0 239A 12 -2,-0.3 2,-0.3 189,-0.2 189,-0.2 -0.959 6.5 176.5-148.1 142.0 42.0 11.1 30.6 51 57 A A E - B 0 238A 5 187,-2.2 187,-3.2 -2,-0.3 2,-0.4 -0.946 17.8-144.0-140.7 156.1 42.3 9.9 34.1 52 58 A R E - B 0 237A 74 -2,-0.3 2,-0.6 185,-0.2 185,-0.2 -0.986 11.0-168.1-125.9 122.4 41.7 6.5 35.8 53 59 A Y E - B 0 236A 0 183,-3.0 183,-2.7 -2,-0.4 2,-0.1 -0.958 19.5-133.8-113.6 118.0 40.3 6.3 39.3 54 60 A S E - B 0 235A 33 -2,-0.6 181,-0.2 181,-0.2 180,-0.1 -0.459 15.4-171.0 -66.5 140.5 40.4 2.9 41.1 55 61 A L + 0 0 0 179,-2.9 2,-0.8 -2,-0.1 3,-0.4 0.204 45.1 124.5-110.3 7.6 37.1 1.9 42.7 56 62 A R S S- 0 0 87 178,-0.3 3,-0.1 1,-0.3 178,-0.1 -0.679 97.0 -28.7 -85.3 107.6 38.5 -1.1 44.5 57 63 A D S S+ 0 0 119 -2,-0.8 2,-0.3 1,-0.1 -1,-0.3 0.665 130.3 75.9 53.5 24.3 37.8 -0.6 48.3 58 64 A E - 0 0 59 -3,-0.4 208,-0.2 208,-0.1 -1,-0.1 -0.976 67.6-143.0-150.1 164.3 37.8 3.1 47.9 59 65 A F - 0 0 0 206,-2.4 2,-2.2 -2,-0.3 -4,-0.1 -0.985 22.6-126.5-135.4 122.2 35.5 5.7 46.5 60 66 A P + 0 0 0 0, 0.0 2,-0.6 0, 0.0 159,-0.1 -0.340 51.7 144.1 -79.6 67.0 36.9 8.8 44.6 61 67 A L - 0 0 1 -2,-2.2 -2,-0.1 204,-0.1 -43,-0.1 -0.908 59.4-108.1 -97.3 118.9 35.2 11.7 46.6 62 68 A L - 0 0 1 -2,-0.6 5,-0.4 150,-0.2 3,-0.0 -0.177 29.8-170.1 -60.5 136.2 37.8 14.5 46.6 63 69 A T S S+ 0 0 0 199,-0.2 229,-3.2 1,-0.1 3,-0.2 0.621 78.7 70.1 -95.7 -17.0 39.6 15.2 50.0 64 70 A T S S+ 0 0 0 1,-0.3 2,-0.3 227,-0.2 -1,-0.1 0.677 117.8 14.3 -78.1 -10.6 41.3 18.4 49.0 65 71 A K S S- 0 0 10 229,-0.1 -1,-0.3 194,-0.0 229,-0.2 -0.869 93.3-106.1-156.9 129.3 38.0 20.1 48.9 66 72 A R - 0 0 119 226,-1.4 2,-0.3 -2,-0.3 229,-0.3 -0.302 36.2-147.6 -58.2 131.2 34.7 18.8 50.4 67 73 A V - 0 0 8 -5,-0.4 2,-2.2 227,-0.1 3,-0.2 -0.770 24.7-107.3-104.3 144.4 32.4 17.6 47.5 68 74 A F > + 0 0 65 1134,-0.5 4,-1.8 -2,-0.3 3,-0.5 -0.482 47.7 168.6 -74.4 74.4 28.5 18.0 47.8 69 75 A W H > S+ 0 0 40 -2,-2.2 4,-2.6 1,-0.3 5,-0.3 0.872 71.5 60.0 -60.3 -44.1 27.9 14.2 48.2 70 76 A K H > S+ 0 0 110 1,-0.2 4,-2.5 -3,-0.2 -1,-0.3 0.930 108.8 45.5 -50.4 -42.9 24.3 14.7 49.2 71 77 A G H > S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.872 108.6 55.7 -69.0 -40.5 23.7 16.3 45.8 72 78 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.951 113.5 41.7 -53.6 -52.0 25.7 13.6 43.9 73 79 A L H X S+ 0 0 8 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.931 116.0 46.3 -66.0 -52.3 23.4 10.9 45.4 74 80 A E H X S+ 0 0 28 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.920 112.3 52.6 -59.1 -38.5 20.1 12.8 45.0 75 81 A E H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.925 109.4 47.2 -64.4 -43.0 21.0 13.7 41.5 76 82 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.871 111.5 50.8 -68.2 -41.7 21.7 10.2 40.4 77 83 A L H X S+ 0 0 22 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.883 110.4 51.2 -60.8 -36.6 18.5 8.8 42.0 78 84 A W H <>S+ 0 0 4 -4,-2.0 5,-2.1 -5,-0.2 -2,-0.2 0.912 108.9 49.3 -66.6 -44.8 16.6 11.5 40.2 79 85 A F H ><5S+ 0 0 3 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.916 109.0 54.2 -54.5 -48.3 18.3 10.6 36.8 80 86 A I H 3<5S+ 0 0 8 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.852 102.8 55.8 -64.8 -35.8 17.3 6.9 37.5 81 87 A K T 3<5S- 0 0 132 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.532 117.7-115.8 -66.0 -13.2 13.7 7.8 38.0 82 88 A G T < 5 + 0 0 15 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.533 58.8 161.8 92.4 10.6 13.8 9.4 34.6 83 89 A S < + 0 0 10 -5,-2.1 41,-0.6 41,-0.2 -1,-0.2 -0.348 30.7 171.0 -77.7 146.3 13.1 12.9 35.9 84 90 A T + 0 0 3 53,-0.4 35,-2.6 40,-0.2 2,-0.7 0.032 52.8 109.6-125.0 19.0 13.9 16.1 33.9 85 91 A N B >> -F 118 0B 0 33,-0.2 3,-0.9 52,-0.2 4,-0.7 -0.878 50.5-166.4-106.6 104.7 12.1 18.3 36.6 86 92 A A H >> S+ 0 0 1 31,-2.8 4,-2.9 -2,-0.7 3,-0.5 0.791 85.4 65.9 -60.2 -28.6 14.6 20.4 38.5 87 93 A K H 3> S+ 0 0 31 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.855 96.3 54.9 -65.5 -34.8 11.9 21.2 41.1 88 94 A E H <4 S+ 0 0 51 -3,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.767 113.2 41.7 -71.4 -24.7 11.8 17.6 42.2 89 95 A L H X<>S+ 0 0 1 -4,-0.7 3,-1.8 -3,-0.5 5,-1.3 0.879 111.0 55.3 -83.3 -41.2 15.5 17.7 42.8 90 96 A S H ><5S+ 0 0 32 -4,-2.9 3,-2.4 1,-0.3 -2,-0.2 0.869 98.6 64.2 -57.1 -36.1 15.4 21.1 44.5 91 97 A S T 3<5S+ 0 0 56 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.683 96.2 58.0 -66.3 -16.7 12.8 19.7 46.9 92 98 A K T < 5S- 0 0 90 -3,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.333 127.4-101.2 -88.7 4.1 15.5 17.4 48.2 93 99 A G T < 5S+ 0 0 20 -3,-2.4 2,-0.6 1,-0.2 -3,-0.2 0.678 89.5 122.7 82.3 22.6 17.7 20.4 49.0 94 100 A V < + 0 0 0 -5,-1.3 3,-0.3 -4,-0.1 -2,-0.2 -0.923 30.3 170.7-124.6 101.4 19.8 19.9 45.9 95 101 A R >> + 0 0 166 -2,-0.6 3,-1.6 1,-0.2 4,-0.6 0.254 37.9 117.2 -99.6 16.6 19.7 23.1 43.8 96 102 A I T 34 S+ 0 0 9 1,-0.3 4,-0.2 2,-0.1 -1,-0.2 0.731 83.2 37.8 -67.2 -24.1 22.3 22.3 41.3 97 103 A W T 3> S+ 0 0 20 -3,-0.3 4,-1.2 -11,-0.2 -1,-0.3 0.426 88.8 95.9-105.1 4.4 19.9 22.4 38.3 98 104 A D H <> S+ 0 0 48 -3,-1.6 4,-0.5 1,-0.2 3,-0.4 0.891 81.5 51.7 -67.7 -41.2 17.7 25.3 39.4 99 105 A A H >< S+ 0 0 42 -4,-0.6 3,-1.0 1,-0.2 6,-0.3 0.913 110.3 49.4 -58.9 -41.0 19.6 28.0 37.4 100 106 A N H 34 S+ 0 0 8 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.713 115.3 45.0 -72.4 -20.3 19.3 26.0 34.2 101 107 A G H 3< S+ 0 0 1 -4,-1.2 16,-2.7 -3,-0.4 17,-0.4 0.407 89.4 124.2 -99.9 3.7 15.6 25.5 34.9 102 108 A S S S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.928 114.9 49.2 -45.9 -49.4 12.3 31.3 34.3 104 110 A D H > S+ 0 0 132 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.920 112.3 45.5 -66.6 -37.7 15.0 33.7 33.1 105 111 A F H > S+ 0 0 27 -6,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.939 112.4 50.8 -73.9 -44.2 17.3 31.1 31.6 106 112 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.1 1,-0.2 3,-1.2 0.925 110.1 50.2 -55.1 -48.9 14.6 29.2 29.8 107 113 A D H ><5S+ 0 0 67 -4,-2.5 3,-1.3 -5,-0.3 -1,-0.2 0.858 101.5 62.6 -59.6 -35.6 13.4 32.5 28.4 108 114 A S H 3<5S+ 0 0 81 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.757 107.4 45.1 -57.0 -28.5 16.9 33.2 27.2 109 115 A L T <<5S- 0 0 79 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.404 124.1-102.1 -96.8 -0.6 16.6 30.1 25.1 110 116 A G T < 5S+ 0 0 59 -3,-1.3 2,-0.9 -4,-0.4 3,-0.3 0.494 84.9 125.2 95.7 4.0 13.2 30.9 23.7 111 117 A F > < + 0 0 34 -5,-2.1 3,-1.0 1,-0.2 -4,-0.2 -0.345 20.1 141.4 -95.4 53.2 11.2 28.5 26.0 112 118 A S T 3 + 0 0 88 -2,-0.9 -1,-0.2 1,-0.2 -5,-0.1 0.757 69.7 52.7 -66.1 -25.2 8.9 31.2 27.3 113 119 A A T 3 S+ 0 0 102 -3,-0.3 -1,-0.2 2,-0.1 2,-0.2 0.594 90.4 101.4 -86.9 -6.3 5.9 28.8 27.3 114 120 A R S < S- 0 0 30 -3,-1.0 3,-0.1 1,-0.1 2,-0.1 -0.551 78.8-109.7 -83.4 142.2 7.7 26.1 29.3 115 121 A Q > - 0 0 88 -2,-0.2 3,-2.0 1,-0.1 -1,-0.1 -0.321 41.8 -97.0 -62.6 140.2 7.1 25.6 33.1 116 122 A E T 3 S+ 0 0 70 1,-0.2 -14,-0.2 -2,-0.1 -29,-0.1 -0.345 112.0 32.1 -59.5 139.6 10.0 26.6 35.4 117 123 A G T 3 S+ 0 0 2 -16,-2.7 -31,-2.8 1,-0.2 2,-1.0 0.215 82.2 127.7 93.5 -11.2 12.2 23.6 36.3 118 124 A D B < -F 85 0B 4 -3,-2.0 -1,-0.2 -17,-0.4 -33,-0.2 -0.665 33.0-179.4 -84.1 99.3 11.6 21.8 32.9 119 125 A L - 0 0 4 -35,-2.6 60,-2.8 -2,-1.0 61,-0.5 0.548 37.5-125.8 -76.4 -8.7 15.1 21.1 31.8 120 126 A G - 0 0 0 -36,-0.4 2,-2.5 58,-0.2 -1,-0.3 -0.420 59.6 -23.7 87.0-168.4 13.9 19.5 28.6 121 127 A P S S+ 0 0 0 0, 0.0 57,-0.1 0, 0.0 -1,-0.1 -0.395 92.0 140.7 -81.9 69.2 14.8 16.0 27.3 122 128 A V >> - 0 0 10 -2,-2.5 4,-2.6 55,-0.1 3,-0.8 0.062 66.4 -43.9 -94.7-156.7 18.1 15.7 29.2 123 129 A Y H 3> S+ 0 0 8 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.792 130.3 50.5 -45.3 -58.5 19.6 12.7 31.0 124 130 A G H 3> S+ 0 0 0 -41,-0.6 4,-1.3 1,-0.2 -1,-0.2 0.913 117.8 42.1 -49.4 -42.7 16.6 11.2 32.9 125 131 A F H <> S+ 0 0 2 -3,-0.8 4,-2.6 -5,-0.2 -2,-0.2 0.931 117.4 44.2 -72.5 -46.2 14.6 11.2 29.7 126 132 A Q H X S+ 0 0 0 -4,-2.6 4,-0.9 1,-0.2 22,-0.4 0.888 112.4 52.3 -67.6 -39.3 17.4 10.0 27.4 127 133 A W H < S+ 0 0 2 -4,-3.4 22,-1.9 -5,-0.3 21,-1.0 0.836 126.4 23.2 -65.1 -34.1 18.6 7.2 29.8 128 134 A R H < S+ 0 0 22 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.636 137.5 25.5-104.9 -18.8 15.1 5.8 30.2 129 135 A H H >< S+ 0 0 36 -4,-2.6 3,-2.5 -5,-0.2 18,-0.2 -0.103 70.8 173.1-144.0 26.1 13.2 6.9 27.1 130 136 A F B 3< S+G 146 0C 3 16,-1.6 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-3,-1.5 4,-2.6 -4,-0.4 3,-0.5 -0.517 73.9-117.4 -70.2 139.4 -8.9 30.9 62.6 708 109 C R H > S+ 0 0 151 1,-0.2 4,-2.3 -2,-0.2 5,-0.1 0.773 110.8 46.9 -30.9 -49.4 -6.4 30.4 65.4 709 110 C D H > S+ 0 0 122 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.851 110.9 47.4 -83.9 -34.8 -9.0 28.5 67.6 710 111 C F H >> S+ 0 0 64 -3,-0.5 3,-1.0 -6,-0.3 4,-0.9 0.987 113.9 50.3 -62.6 -53.4 -10.3 26.1 65.1 711 112 C L H ><>S+ 0 0 1 -4,-2.6 5,-2.5 1,-0.3 3,-1.3 0.913 111.3 49.0 -47.9 -50.0 -6.8 25.3 64.0 712 113 C D H ><5S+ 0 0 74 -4,-2.3 3,-1.0 4,-0.3 5,-0.3 0.784 101.0 63.3 -64.9 -28.3 -5.7 24.7 67.6 713 114 C S H <<5S+ 0 0 87 -4,-1.5 -1,-0.3 -3,-1.0 -2,-0.2 0.711 107.6 42.8 -71.1 -21.7 -8.7 22.3 68.4 714 115 C L T <<5S- 0 0 92 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.320 130.1 -96.9-103.5 2.1 -7.5 19.8 65.7 715 116 C G T < 5S+ 0 0 50 -3,-1.0 3,-0.4 -4,-0.3 2,-0.3 0.584 83.3 131.4 99.4 16.3 -3.9 20.3 67.0 716 117 C F > < + 0 0 29 -5,-2.5 3,-1.2 1,-0.2 -4,-0.3 -0.184 19.2 134.3 -96.8 45.4 -2.5 22.8 64.6 717 118 C S T 3 + 0 0 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-2,-2.4 4,-2.0 55,-0.1 3,-1.9 0.025 62.4 -51.7 -83.3-173.3 -6.9 21.6 50.8 728 129 C Y H 3> S+ 0 0 13 1,-0.3 4,-3.6 2,-0.2 5,-0.3 0.751 132.0 51.2 -24.3 -62.8 -8.3 21.7 47.1 729 130 C G H 3> S+ 0 0 0 -41,-0.4 4,-1.3 1,-0.3 -1,-0.3 0.812 114.9 44.5 -58.4 -33.4 -5.8 24.2 45.6 730 131 C F H <> S+ 0 0 1 -3,-1.9 4,-2.6 -42,-0.2 -1,-0.3 0.893 116.1 46.2 -74.8 -46.2 -2.9 22.0 46.9 731 132 C Q H X S+ 0 0 0 -4,-2.0 4,-0.7 2,-0.2 22,-0.4 0.913 112.2 49.6 -66.6 -41.8 -4.5 18.8 45.8 732 133 C W H < S+ 0 0 4 -4,-3.6 21,-1.5 -5,-0.2 22,-1.4 0.891 126.4 25.3 -60.0 -45.7 -5.5 20.0 42.4 733 134 C R H < S+ 0 0 19 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.628 135.2 24.4 -97.5 -15.4 -2.0 21.4 41.6 734 135 C H H >< S+ 0 0 29 -4,-2.6 3,-2.3 18,-0.1 18,-0.2 -0.146 70.4 177.0-145.0 38.2 0.4 19.3 43.8 735 136 C F B 3< S+W 751 0K 3 16,-1.9 16,-2.6 -4,-0.7 3,-0.1 -0.253 74.3 10.6 -57.0 128.9 -1.1 16.0 44.7 736 137 C G T 3 S+ 0 0 15 1,-0.4 -1,-0.3 14,-0.2 14,-0.2 0.277 93.6 128.2 90.5 -9.3 1.3 13.8 46.7 737 138 C A S < S- 0 0 9 -3,-2.3 2,-0.6 12,-0.2 -1,-0.4 -0.399 71.3 -98.0 -72.4 158.6 3.8 16.6 47.4 738 139 C E - 0 0 106 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.719 34.6-136.7 -84.2 120.3 4.8 17.1 51.1 739 140 C Y + 0 0 22 -2,-0.6 3,-0.1 1,-0.2 -1,-0.0 -0.597 34.0 161.1 -76.7 134.9 2.8 19.9 52.7 740 141 C K - 0 0 152 1,-0.4 2,-0.3 -2,-0.3 -1,-0.2 0.647 61.7 -44.4-114.9 -79.7 4.9 22.2 54.9 741 142 C D > - 0 0 59 -16,-0.1 3,-1.7 -22,-0.0 -1,-0.4 -0.927 59.0 -88.7-150.8 171.8 2.9 25.4 55.3 742 143 C M T 3 S+ 0 0 28 -2,-0.3 -53,-0.3 1,-0.3 -52,-0.2 0.620 121.4 51.8 -59.2 -20.2 0.8 27.8 53.2 743 144 C D T 3 S+ 0 0 100 -54,-0.1 -1,-0.3 -55,-0.1 -55,-0.0 0.479 83.3 117.4-100.8 -3.8 3.8 30.1 52.2 744 145 C S S < S- 0 0 28 -3,-1.7 2,-0.9 1,-0.1 -5,-0.0 -0.246 71.3-117.7 -58.7 148.4 6.0 27.2 51.0 745 146 C D + 0 0 111 1,-0.1 -1,-0.1 2,-0.1 -2,-0.1 -0.819 38.4 168.6 -91.0 108.0 7.0 27.1 47.3 746 147 C Y > + 0 0 17 -2,-0.9 3,-3.0 3,-0.0 -1,-0.1 0.303 19.1 151.2 -97.0 7.9 5.4 24.0 45.8 747 148 C S T 3 S- 0 0 36 1,-0.3 3,-0.1 -660,-0.0 -2,-0.1 -0.088 75.3 -1.8 -53.1 133.6 6.1 24.9 42.2 748 149 C G T 3 S+ 0 0 4 1,-0.2 2,-0.3 -15,-0.1 -1,-0.3 0.431 102.1 123.6 64.4 3.0 6.6 21.8 40.1 749 150 C Q < - 0 0 40 -3,-3.0 -12,-0.2 -662,-0.1 -1,-0.2 -0.752 63.8 -2.6 -93.7 146.4 6.1 19.4 43.1 750 151 C G S S- 0 0 22 -2,-0.3 2,-0.7 -14,-0.2 -14,-0.2 -0.092 106.0 -35.0 72.4-173.7 3.4 16.6 43.0 751 152 C V B -W 735 0K 22 -16,-2.6 -16,-1.9 -20,-0.1 2,-1.5 -0.729 44.6-149.8 -87.0 120.0 0.8 15.9 40.4 752 153 C D > + 0 0 29 -2,-0.7 4,-2.0 -18,-0.2 -19,-0.2 -0.699 25.1 174.2 -80.9 92.4 -0.6 18.9 38.6 753 154 C Q H > S+ 0 0 4 -21,-1.5 4,-2.4 -2,-1.5 -1,-0.2 0.821 71.0 56.2 -68.7 -35.8 -4.0 17.2 38.1 754 155 C L H > S+ 0 0 0 -22,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.923 110.9 41.2 -69.2 -47.9 -5.6 20.3 36.6 755 156 C Q H > S+ 0 0 47 -23,-0.2 4,-2.8 2,-0.2 5,-0.2 0.887 112.6 57.0 -68.7 -33.4 -3.0 20.8 33.9 756 157 C K H X S+ 0 0 88 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.923 106.9 48.3 -58.9 -39.5 -3.0 17.0 33.3 757 158 C V H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.913 112.3 49.8 -66.5 -41.1 -6.8 17.1 32.7 758 159 C I H X S+ 0 0 2 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.947 110.9 47.5 -63.2 -49.4 -6.3 20.0 30.3 759 160 C D H X S+ 0 0 49 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.939 112.4 50.5 -58.5 -46.7 -3.5 18.4 28.3 760 161 C T H X S+ 0 0 29 -4,-2.4 4,-3.2 1,-0.2 7,-0.2 0.898 106.2 53.3 -58.0 -44.7 -5.5 15.1 28.0 761 162 C I H < S+ 0 0 4 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.893 114.0 45.0 -58.3 -35.0 -8.6 16.8 26.8 762 163 C K H < S+ 0 0 107 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.864 127.5 25.4 -75.0 -39.3 -6.4 18.4 24.1 763 164 C T H < S+ 0 0 106 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.743 137.1 18.1-101.6 -30.3 -4.5 15.4 23.0 764 165 C N >< + 0 0 70 -4,-3.2 3,-2.0 -5,-0.3 -1,-0.2 -0.541 62.7 166.4-144.0 69.4 -6.7 12.4 23.9 765 166 C P T 3 S+ 0 0 44 0, 0.0 31,-0.6 0, 0.0 -1,-0.1 0.670 74.7 62.4 -69.9 -15.7 -10.2 13.5 24.4 766 167 C D T 3 S+ 0 0 48 29,-0.1 174,-0.2 -6,-0.1 -5,-0.1 0.594 76.7 125.5 -77.0 -12.6 -11.7 10.0 24.2 767 168 C D < - 0 0 34 -3,-2.0 3,-0.4 -7,-0.2 29,-0.2 -0.188 51.1-156.3 -52.9 144.1 -9.6 9.1 27.4 768 169 C R S S+ 0 0 15 1,-0.2 376,-0.2 27,-0.1 -1,-0.1 0.109 82.9 69.8-108.4 18.4 -11.8 7.7 30.3 769 170 C R + 0 0 69 -12,-0.0 2,-2.1 2,-0.0 -1,-0.2 -0.050 54.3 134.9-120.7 23.1 -9.4 8.7 33.0 770 171 C I + 0 0 2 24,-0.4 24,-3.3 -3,-0.4 2,-0.4 -0.568 37.3 148.8 -84.9 77.7 -9.8 12.5 32.9 771 172 C I E -S 793 0I 9 -2,-2.1 2,-0.5 22,-0.3 22,-0.2 -0.947 40.5-167.2-120.1 135.2 -10.1 12.9 36.7 772 173 C M E -S 792 0I 2 20,-2.6 20,-2.2 -2,-0.4 2,-0.5 -0.994 21.1-167.9-114.5 118.1 -9.1 15.6 39.3 773 174 C C E +S 791 0I 0 -2,-0.5 18,-0.2 18,-0.2 17,-0.1 -0.947 22.4 174.0-109.8 123.4 -9.3 14.1 42.8 774 175 C A + 0 0 1 16,-2.1 2,-1.0 -2,-0.5 17,-0.2 0.584 57.7 98.7 -99.0 -9.0 -9.2 16.2 46.0 775 176 C W + 0 0 5 15,-1.8 15,-0.0 11,-0.1 297,-0.0 -0.666 46.0 165.6 -81.1 106.8 -9.9 13.3 48.4 776 177 C N >> - 0 0 3 -2,-1.0 4,-1.5 1,-0.1 3,-0.7 -0.932 20.6-167.0-127.6 94.2 -6.4 12.4 49.6 777 178 C P T 34 S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.773 85.7 58.2 -59.2 -28.4 -6.7 10.2 52.6 778 179 C K T 34 S+ 0 0 79 1,-0.2 4,-0.1 2,-0.1 269,-0.0 0.884 115.9 35.7 -64.4 -36.3 -3.0 10.5 53.5 779 180 C D T X> S+ 0 0 2 -3,-0.7 3,-2.1 1,-0.2 4,-0.6 0.568 89.7 97.1 -92.0 -16.6 -3.4 14.3 53.8 780 181 C L G >< S+ 0 0 26 -4,-1.5 3,-1.9 1,-0.3 -1,-0.2 0.882 80.2 56.6 -42.8 -48.5 -7.0 14.4 55.2 781 182 C P G 34 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.729 105.1 52.8 -65.2 -17.3 -5.7 14.8 58.9 782 183 C L G <4 S+ 0 0 61 -3,-2.1 2,-0.2 -4,-0.1 -2,-0.2 0.538 89.1 98.4 -87.8 -9.2 -3.8 17.9 57.9 783 184 C M S << S- 0 0 9 -3,-1.9 -58,-0.2 -4,-0.6 -59,-0.1 -0.559 74.9-134.2 -81.4 144.7 -6.8 19.7 56.3 784 185 C A S S+ 0 0 4 -60,-2.6 -1,-0.1 1,-0.3 -59,-0.1 0.853 97.6 3.7 -62.7 -31.9 -8.8 22.4 58.2 785 186 C L S S- 0 0 46 -61,-0.3 -1,-0.3 -5,-0.0 3,-0.1 -0.974 86.8-104.8-147.4 147.0 -11.8 20.5 56.8 786 187 C P - 0 0 30 0, 0.0 -11,-0.1 0, 0.0 -59,-0.1 -0.467 50.6 -94.7 -70.0 140.7 -12.3 17.3 54.7 787 188 C P - 0 0 4 0, 0.0 3,-0.1 0, 0.0 21,-0.1 -0.247 27.4-166.4 -58.1 137.2 -13.2 17.9 51.1 788 189 C C S S+ 0 0 41 1,-0.2 20,-2.4 -3,-0.1 2,-1.2 0.769 86.9 61.4 -83.6 -34.3 -16.9 17.8 50.2 789 190 C H E + T 0 807I 17 18,-0.2 -15,-0.3 1,-0.2 18,-0.2 -0.738 68.5 173.0 -97.3 88.0 -16.0 17.7 46.5 790 191 C A E - 0 0 0 16,-1.3 -16,-2.1 -2,-1.2 -15,-1.8 0.888 56.6 -15.2 -74.2 -42.5 -14.1 14.4 46.4 791 192 C L E -ST 773 806I 2 15,-1.1 15,-2.9 -18,-0.2 2,-0.3 -0.983 50.4-159.1-154.7 157.4 -13.5 14.0 42.7 792 193 C C E -ST 772 805I 2 -20,-2.2 -20,-2.6 -2,-0.3 2,-0.3 -0.984 9.0-157.5-134.4 155.2 -14.6 15.2 39.3 793 194 C Q E -ST 771 804I 1 11,-2.3 11,-3.0 -2,-0.3 2,-0.3 -0.951 6.9-146.6-127.0 148.0 -14.3 13.6 35.9 794 195 C F E - T 0 803I 2 -24,-3.3 -24,-0.4 -2,-0.3 2,-0.3 -0.791 12.7-173.4-112.4 161.7 -14.3 15.1 32.4 795 196 C Y E - T 0 802I 9 7,-1.9 7,-3.0 -2,-0.3 2,-0.4 -0.986 9.0-154.6-155.5 145.0 -15.7 13.8 29.1 796 197 C V E + T 0 801I 11 -31,-0.6 2,-0.3 -2,-0.3 5,-0.2 -0.992 24.2 146.9-130.1 130.2 -15.7 14.9 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