==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-JAN-01 1HZW . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.ALMOG,C.A.WADDLING,F.MALEY,G.F.MALEY,P.VAN ROEY . 559 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 406 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 14.7 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 . 2 0.4 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-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 . 63 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.8 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 2 2 4 0 0 0 2 2 0 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 0 2 4 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A G > 0 0 81 0, 0.0 4,-1.2 0, 0.0 37,-0.0 0.000 360.0 360.0 360.0 128.9 -9.8 90.2 5.2 2 6 A S H >> + 0 0 12 1,-0.2 4,-1.5 2,-0.2 3,-0.9 0.961 360.0 46.7 -62.6 -53.3 -7.9 88.1 7.7 3 30 A E H 3> S+ 0 0 5 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.866 106.1 60.7 -58.5 -36.2 -10.9 86.2 9.1 4 31 A L H 3> S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.851 101.7 53.6 -59.1 -34.5 -12.0 85.5 5.5 5 32 A Q H - 0 0 16 4,-1.9 3,-1.0 -2,-0.2 -1,-0.1 -0.168 45.3 -72.1 -97.4-164.5 -5.8 61.4 15.1 23 50 A R T 3 S+ 0 0 129 1,-0.3 405,-0.1 2,-0.1 -2,-0.1 0.838 133.5 49.0 -61.9 -35.1 -4.1 59.6 18.1 24 51 A T T 3 S- 0 0 108 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.552 118.0-110.1 -82.7 -7.5 -7.5 58.7 19.7 25 52 A G S < S+ 0 0 42 -3,-1.0 2,-0.2 1,-0.3 -2,-0.1 0.382 70.4 145.6 93.5 -3.9 -8.8 57.3 16.4 26 53 A T - 0 0 58 1,-0.1 -4,-1.9 -5,-0.1 -1,-0.3 -0.464 49.2-118.1 -68.9 136.1 -11.2 60.2 16.0 27 54 A G E +A 21 0A 12 -6,-0.2 205,-1.5 -2,-0.2 206,-0.3 -0.407 34.6 174.5 -78.9 153.0 -11.7 61.2 12.4 28 55 A T E -AB 20 231A 0 -8,-0.8 -8,-2.1 203,-0.3 2,-0.6 -0.946 36.0-116.6-147.3 160.9 -10.9 64.6 10.9 29 56 A L E -AB 19 230A 25 201,-3.5 201,-2.7 -2,-0.3 2,-0.4 -0.932 48.0-165.6 -99.6 127.0 -10.9 66.1 7.5 30 57 A S E +AB 18 229A 2 -12,-3.1 -12,-2.4 -2,-0.6 2,-0.4 -0.935 28.5 178.4-129.7 146.0 -7.2 67.0 6.8 31 58 A V E - B 0 228A 12 197,-2.7 197,-3.0 -2,-0.4 2,-0.6 -0.994 25.0-137.9-135.5 134.9 -5.1 69.0 4.5 32 59 A F E S+ B 0 227A 6 -2,-0.4 195,-0.2 195,-0.2 194,-0.2 -0.873 73.2 19.0-103.4 121.9 -1.3 69.2 4.9 33 60 A G E + 0 0 1 193,-3.1 2,-0.3 -2,-0.6 193,-0.2 0.788 67.5 160.9 89.8 99.9 0.4 72.5 4.5 34 61 A M E - B 0 225A 14 191,-1.6 191,-3.0 -3,-0.1 2,-0.3 -0.958 15.4-166.0-143.8 158.2 -1.6 75.7 4.7 35 62 A Q E - B 0 224A 48 -2,-0.3 2,-0.3 189,-0.2 189,-0.2 -0.974 5.9-179.7-153.8 135.3 -0.8 79.4 5.3 36 63 A A E - B 0 223A 1 187,-2.1 187,-3.1 -2,-0.3 2,-0.6 -0.967 19.1-141.0-132.8 148.7 -2.8 82.5 6.2 37 64 A R E - B 0 222A 68 -2,-0.3 2,-0.6 185,-0.2 185,-0.2 -0.954 14.2-168.0-115.2 118.4 -1.6 86.0 6.8 38 65 A Y E - B 0 221A 0 183,-3.1 183,-2.3 -2,-0.6 2,-0.1 -0.908 17.6-137.4-108.5 111.3 -3.2 88.0 9.6 39 66 A S E - B 0 220A 25 -2,-0.6 181,-0.2 181,-0.2 180,-0.1 -0.410 14.8-170.7 -65.1 141.4 -2.5 91.7 9.6 40 67 A L > + 0 0 1 179,-3.1 2,-0.7 4,-0.1 3,-0.7 0.213 46.3 124.6-113.8 8.4 -1.8 93.1 13.1 41 68 A R T 3 S- 0 0 83 178,-0.5 178,-0.1 1,-0.3 -2,-0.1 -0.622 93.9 -25.0 -77.7 111.5 -1.9 96.6 11.8 42 69 A D T 3 S+ 0 0 143 -2,-0.7 2,-0.3 176,-0.1 -1,-0.3 0.736 131.3 64.3 57.9 26.9 -4.5 98.6 13.8 43 70 A E S < S- 0 0 53 -3,-0.7 208,-0.2 208,-0.1 -1,-0.1 -0.960 72.9-128.7-169.3 155.5 -6.4 95.5 14.7 44 71 A F - 0 0 0 206,-2.9 2,-2.2 -2,-0.3 -4,-0.1 -0.967 24.7-126.2-117.5 128.0 -6.0 92.2 16.6 45 72 A P + 0 0 0 0, 0.0 2,-0.8 0, 0.0 159,-0.1 -0.347 53.0 143.8 -71.2 62.4 -6.9 88.8 14.9 46 73 A L - 0 0 0 -2,-2.2 -2,-0.1 204,-0.1 152,-0.1 -0.909 56.8-117.0-102.2 105.6 -9.4 87.4 17.5 47 74 A L - 0 0 2 -2,-0.8 5,-0.3 150,-0.2 3,-0.0 -0.051 25.5-165.3 -49.6 141.3 -11.9 85.6 15.3 48 75 A T S S+ 0 0 0 199,-0.2 229,-3.9 1,-0.1 3,-0.2 0.675 76.6 74.0-102.8 -23.3 -15.4 86.8 15.2 49 76 A T S S+ 0 0 0 1,-0.2 2,-0.3 227,-0.2 -1,-0.1 0.638 118.0 12.9 -68.8 -8.9 -17.4 84.0 13.5 50 77 A K S S- 0 0 59 229,-0.1 -1,-0.2 230,-0.1 229,-0.1 -0.869 94.7 -97.8-164.9 132.9 -16.9 82.2 16.8 51 78 A R - 0 0 143 226,-0.5 2,-0.4 -2,-0.3 -3,-0.1 -0.202 31.1-150.5 -56.4 133.1 -15.7 83.3 20.3 52 79 A V - 0 0 7 -5,-0.3 2,-2.2 145,-0.1 3,-0.2 -0.890 25.6-114.5-106.1 136.4 -12.1 82.8 21.2 53 80 A F > + 0 0 95 -2,-0.4 4,-2.0 1,-0.2 3,-0.4 -0.447 41.2 176.1 -71.0 78.7 -11.2 82.3 24.8 54 81 A W H > S+ 0 0 39 -2,-2.2 4,-2.8 1,-0.2 5,-0.3 0.865 73.2 55.4 -54.3 -46.3 -9.1 85.5 25.2 55 82 A K H > S+ 0 0 101 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.903 109.7 50.1 -56.7 -38.7 -8.4 85.2 28.9 56 83 A G H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 5,-0.3 0.927 109.8 49.5 -64.3 -45.2 -6.9 81.8 28.2 57 84 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.964 116.2 42.3 -57.2 -54.1 -4.8 83.2 25.3 58 85 A L H X S+ 0 0 10 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.924 117.3 43.8 -59.7 -52.5 -3.4 86.0 27.5 59 86 A E H X S+ 0 0 27 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.890 112.2 53.3 -64.5 -39.6 -2.8 84.1 30.7 60 87 A E H X S+ 0 0 14 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.942 110.8 46.6 -61.2 -46.9 -1.2 81.1 28.9 61 88 A L H X S+ 0 0 1 -4,-2.0 4,-3.0 -5,-0.3 -1,-0.2 0.872 111.3 49.7 -63.1 -40.9 1.3 83.3 27.1 62 89 A L H X S+ 0 0 22 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.860 111.5 52.3 -65.3 -32.2 2.2 85.2 30.3 63 90 A W H <>S+ 0 0 2 -4,-1.8 5,-1.6 -5,-0.2 4,-0.4 0.855 109.8 47.1 -70.0 -38.5 2.6 81.8 31.8 64 91 A F H ><5S+ 0 0 0 -4,-2.0 3,-2.1 2,-0.2 -2,-0.2 0.960 112.0 49.8 -65.4 -53.0 4.9 80.8 28.9 65 92 A I H 3<5S+ 0 0 5 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.845 104.0 59.5 -52.7 -39.1 6.9 84.0 29.2 66 93 A K T 3<5S- 0 0 112 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.669 112.8-124.7 -65.2 -17.7 7.2 83.3 32.9 67 94 A G T < 5 + 0 0 14 -3,-2.1 -3,-0.2 -4,-0.4 -2,-0.1 0.580 55.7 156.6 82.0 10.7 8.9 80.1 31.9 68 95 A S < + 0 0 10 -5,-1.6 41,-0.5 41,-0.1 -1,-0.2 -0.380 31.1 177.0 -73.3 146.9 6.5 78.0 33.9 69 96 A T + 0 0 2 53,-0.3 35,-2.7 40,-0.2 2,-0.8 0.057 54.1 108.3-130.0 15.0 5.8 74.4 33.2 70 97 A N B >> -F 103 0B 11 33,-0.2 3,-1.6 52,-0.2 4,-0.6 -0.862 54.6-162.3-101.0 105.0 3.4 74.1 36.1 71 98 A A H >> S+ 0 0 1 31,-3.0 4,-2.8 -2,-0.8 3,-0.8 0.775 89.0 66.9 -56.0 -27.9 -0.2 73.8 34.9 72 99 A K H 3> S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.836 93.2 58.8 -64.4 -31.0 -1.3 74.8 38.4 73 100 A E H <4 S+ 0 0 59 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.749 112.9 38.7 -69.7 -23.5 0.2 78.2 37.9 74 101 A L H X<>S+ 0 0 0 -3,-0.8 3,-1.9 -4,-0.6 5,-1.6 0.824 111.4 57.9 -90.8 -39.1 -2.1 78.8 34.9 75 102 A S H ><5S+ 0 0 23 -4,-2.8 3,-1.7 1,-0.3 -2,-0.2 0.860 100.1 58.7 -58.0 -37.4 -5.0 77.0 36.5 76 103 A S T 3<5S+ 0 0 91 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.523 97.4 61.8 -71.4 -6.2 -4.9 79.5 39.4 77 104 A K T < 5S- 0 0 93 -3,-1.9 -1,-0.3 2,-0.3 -2,-0.2 0.367 127.6 -98.0 -97.7 0.3 -5.4 82.3 36.9 78 105 A G T < 5S+ 0 0 30 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.559 92.8 116.6 94.1 9.8 -8.7 80.9 35.9 79 106 A V < + 0 0 0 -5,-1.6 -2,-0.3 1,-0.1 3,-0.3 -0.945 31.4 170.5-116.2 113.2 -7.4 79.1 32.8 80 107 A K >> + 0 0 113 -2,-0.6 3,-1.3 1,-0.2 4,-0.6 0.263 41.6 114.5-104.7 10.7 -7.7 75.3 33.0 81 108 A I T 34 S+ 0 0 67 1,-0.3 4,-0.2 2,-0.1 -1,-0.2 0.691 86.1 37.7 -57.1 -20.9 -6.7 74.5 29.4 82 109 A W T 34 S+ 0 0 23 -3,-0.3 4,-0.5 -11,-0.2 -1,-0.3 0.466 91.1 92.4-107.8 -4.9 -3.5 72.7 30.5 83 110 A D T X> S+ 0 0 45 -3,-1.3 3,-1.4 1,-0.2 4,-0.5 0.891 82.1 54.1 -57.0 -44.2 -4.9 71.0 33.7 84 111 A A G >< S+ 0 0 67 -4,-0.6 3,-1.1 1,-0.3 6,-0.3 0.904 106.4 51.8 -59.4 -42.5 -5.8 67.8 32.0 85 112 A N G 34 S+ 0 0 31 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.2 0.538 113.7 45.0 -73.8 -4.7 -2.4 67.2 30.6 86 113 A G G <4 S+ 0 0 2 -3,-1.4 16,-3.0 -4,-0.5 17,-0.3 0.362 89.6 116.6-116.2 2.0 -0.9 67.7 34.0 87 114 A S S S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.955 116.2 48.4 -52.9 -60.3 -2.4 62.4 37.9 89 116 A D H > S+ 0 0 132 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.867 115.7 44.6 -51.2 -43.8 -4.1 60.0 35.4 90 117 A F H > S+ 0 0 52 -6,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.934 112.5 49.2 -70.2 -47.3 -2.5 61.6 32.4 91 118 A L H <>S+ 0 0 0 -4,-3.0 5,-2.7 1,-0.2 4,-0.2 0.861 113.6 48.8 -61.0 -33.6 1.0 61.9 33.8 92 119 A D H ><5S+ 0 0 63 -4,-2.6 3,-1.4 -5,-0.3 5,-0.2 0.867 103.2 59.1 -73.9 -35.4 0.8 58.3 34.9 93 120 A S H 3<5S+ 0 0 85 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.775 108.4 48.1 -63.2 -23.7 -0.5 57.2 31.5 94 121 A L T 3<5S- 0 0 72 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.501 123.2-107.9 -92.6 -7.6 2.8 58.7 30.2 95 122 A G T < 5S+ 0 0 55 -3,-1.4 2,-1.1 -4,-0.2 3,-0.3 0.496 82.9 126.2 94.5 4.0 4.9 56.9 32.8 96 123 A F > < + 0 0 33 -5,-2.7 3,-1.6 1,-0.2 -4,-0.1 -0.346 21.7 147.4 -91.7 55.1 5.6 60.0 34.9 97 124 A S T 3 S+ 0 0 80 -2,-1.1 -1,-0.2 1,-0.3 -5,-0.1 0.760 70.9 48.9 -60.5 -28.9 4.3 58.4 38.1 98 125 A T T 3 S+ 0 0 131 -3,-0.3 2,-0.4 -7,-0.1 -1,-0.3 0.431 89.0 106.0 -92.8 0.4 6.8 60.3 40.3 99 126 A R S < S- 0 0 28 -3,-1.6 3,-0.1 -11,-0.1 -8,-0.1 -0.657 75.8-117.4 -84.4 132.9 6.0 63.6 38.7 100 127 A E > - 0 0 136 -2,-0.4 3,-2.2 1,-0.1 22,-0.1 -0.356 40.8 -89.9 -66.5 147.3 3.9 66.0 40.7 101 128 A E T 3 S+ 0 0 85 1,-0.3 -14,-0.2 -31,-0.1 -29,-0.1 -0.289 115.8 30.6 -56.9 140.5 0.5 67.0 39.4 102 129 A G T 3 S+ 0 0 5 -16,-3.0 -31,-3.0 1,-0.2 2,-1.2 0.101 82.7 125.4 96.3 -22.4 0.8 70.0 37.2 103 130 A D B < +F 70 0B 5 -3,-2.2 -1,-0.2 -17,-0.3 -33,-0.2 -0.590 32.0 176.8 -76.2 99.0 4.3 69.2 36.0 104 131 A L - 0 0 0 -35,-2.7 60,-2.9 -2,-1.2 61,-0.4 0.498 38.0-126.8 -80.6 -5.3 4.0 69.3 32.3 105 132 A G - 0 0 0 -36,-0.4 2,-2.7 58,-0.2 -1,-0.3 -0.386 62.7 -19.4 87.8-171.2 7.7 68.7 31.7 106 133 A P S S+ 0 0 0 0, 0.0 57,-0.2 0, 0.0 -1,-0.1 -0.324 89.7 149.3 -71.6 64.7 9.9 70.9 29.5 107 134 A V >> - 0 0 2 -2,-2.7 4,-2.3 55,-0.1 3,-1.0 -0.062 64.4 -53.1 -85.0-169.0 7.1 72.5 27.5 108 135 A Y H 3> S+ 0 0 11 1,-0.3 4,-3.6 2,-0.2 5,-0.3 0.800 131.9 54.0 -31.0 -63.2 7.0 76.0 25.9 109 136 A G H 3> S+ 0 0 0 -41,-0.5 4,-1.5 1,-0.2 -1,-0.3 0.897 115.6 40.5 -43.9 -50.1 7.9 78.0 29.0 110 137 A F H <> S+ 0 0 0 -3,-1.0 4,-3.6 -5,-0.2 -1,-0.2 0.948 116.4 48.5 -66.8 -50.2 11.0 75.9 29.6 111 138 A Q H X S+ 0 0 0 -4,-2.3 4,-0.9 1,-0.2 22,-0.5 0.924 111.7 50.2 -56.8 -46.8 12.0 75.7 25.9 112 139 A W H < S+ 0 0 2 -4,-3.6 22,-2.0 -5,-0.2 21,-0.8 0.846 126.1 24.1 -61.8 -36.9 11.5 79.5 25.4 113 140 A R H < S+ 0 0 15 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.641 136.5 24.3-105.5 -18.8 13.6 80.5 28.3 114 141 A H H >< S+ 0 0 33 -4,-3.6 3,-2.5 -5,-0.2 18,-0.2 -0.094 70.9 173.0-141.4 39.7 15.9 77.6 28.9 115 142 A F B 3< S+G 131 0C 2 16,-2.0 16,-3.0 -4,-0.9 3,-0.1 -0.265 76.1 17.2 -53.9 129.8 16.3 75.7 25.7 116 143 A G T 3 S+ 0 0 21 1,-0.3 -1,-0.3 14,-0.2 14,-0.2 0.138 93.9 129.0 94.6 -21.4 19.0 73.0 26.1 117 144 A A S < S- 0 0 9 -3,-2.5 2,-0.9 12,-0.2 -1,-0.3 -0.274 70.6-103.3 -65.9 154.8 18.9 73.1 29.9 118 145 A E - 0 0 123 -3,-0.1 2,-0.1 8,-0.0 -1,-0.1 -0.720 37.6-137.3 -83.2 107.5 18.5 69.8 31.8 119 146 A Y + 0 0 19 -2,-0.9 3,-0.1 1,-0.2 -1,-0.0 -0.421 32.7 165.9 -66.8 134.5 14.9 69.7 32.9 120 147 A R - 0 0 164 1,-0.4 2,-0.3 -2,-0.1 -1,-0.2 0.697 59.6 -46.6-109.9 -74.6 14.5 68.4 36.5 121 148 A D > - 0 0 68 -16,-0.1 3,-1.7 -22,-0.0 -1,-0.4 -0.952 58.4 -87.7-155.8 170.9 10.9 69.4 37.5 122 149 A M T 3 S+ 0 0 21 -2,-0.3 -53,-0.3 1,-0.3 -52,-0.2 0.702 123.5 51.6 -59.1 -22.5 8.6 72.3 37.4 123 150 A E T 3 S+ 0 0 135 -54,-0.1 -1,-0.3 -55,-0.1 -55,-0.0 0.542 85.9 115.1 -92.5 -7.6 9.8 73.7 40.7 124 151 A S < - 0 0 31 -3,-1.7 2,-0.7 1,-0.1 -5,-0.0 -0.226 70.0-118.7 -65.1 151.5 13.5 73.6 39.7 125 152 A D + 0 0 115 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.826 36.7 166.9 -93.8 116.5 15.6 76.8 39.3 126 153 A Y > + 0 0 17 -2,-0.7 3,-3.4 3,-0.1 -1,-0.1 0.362 19.4 145.1-110.4 3.5 16.8 77.1 35.8 127 154 A S T 3 S+ 0 0 78 1,-0.3 3,-0.1 -13,-0.0 -13,-0.0 -0.107 78.5 11.5 -44.8 134.2 18.0 80.7 35.9 128 155 A G T 3 S+ 0 0 88 1,-0.2 2,-0.3 2,-0.0 -1,-0.3 0.343 107.0 114.7 77.0 -8.7 21.1 81.1 33.7 129 156 A Q < - 0 0 77 -3,-3.4 -1,-0.2 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0.920 112.8 50.6 -56.3 -46.6 21.4 67.6 13.9 393 139 B W H < S+ 0 0 3 -4,-3.3 22,-1.8 -5,-0.2 21,-1.0 0.875 125.9 24.1 -59.3 -42.8 19.4 65.1 11.7 394 140 B R H < S+ 0 0 16 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.644 137.9 23.1-101.1 -17.8 21.2 62.0 13.1 395 141 B H H >< S+ 0 0 30 -4,-3.6 3,-2.5 -5,-0.2 18,-0.2 -0.116 72.3 177.0-143.5 40.9 22.4 63.1 16.6 396 142 B F B 3< S+O 412 0G 1 16,-2.0 16,-2.9 -4,-1.0 -4,-0.1 -0.221 75.1 14.7 -51.7 129.1 20.2 66.0 17.7 397 143 B G T 3 S+ 0 0 5 1,-0.3 -1,-0.3 14,-0.2 14,-0.2 0.230 92.9 131.3 91.6 -15.8 21.3 67.1 21.2 398 144 B A < - 0 0 3 -3,-2.5 2,-0.7 12,-0.2 -1,-0.3 -0.306 69.4 -99.7 -68.6 156.2 24.5 65.2 21.3 399 145 B E - 0 0 103 -3,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.687 37.8-135.2 -79.0 116.5 27.7 67.0 22.4 400 146 B Y + 0 0 23 -2,-0.7 3,-0.1 1,-0.2 -1,-0.0 -0.579 36.7 160.2 -76.3 132.0 29.5 68.0 19.3 401 147 B R - 0 0 132 1,-0.4 2,-0.3 -2,-0.3 -1,-0.2 0.649 59.9 -43.1-110.0 -82.5 33.3 67.4 19.5 402 148 B D > - 0 0 66 -16,-0.1 3,-1.1 -22,-0.1 -1,-0.4 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