==== 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 11-AUG-98 1BPJ . COMPND 2 MOLECULE: PROTEIN (THYMIDYLATE SYNTHASE); . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR R.J.MORSE,J.S.FINER-MOORE,R.M.STROUD . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 13.0 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 . 1 0.3 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 . 30 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 1 1 2 1 1 0 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 1 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 1 2 1 0 0 0 1 0 0 1 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 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 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 0 137 0, 0.0 3,-0.9 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 173.8 4.4 28.3 -45.0 2 2 A L T 3 + 0 0 34 1,-0.2 37,-0.1 40,-0.1 45,-0.1 0.908 360.0 50.0 -59.1 -49.0 3.4 31.9 -45.2 3 3 A E T >> S+ 0 0 6 1,-0.2 3,-1.5 2,-0.1 4,-1.3 0.586 76.8 105.6 -72.4 -5.3 6.7 33.2 -46.7 4 4 A Q H <> + 0 0 62 -3,-0.9 4,-3.2 1,-0.3 5,-0.3 0.808 69.0 65.9 -45.7 -39.6 6.9 30.6 -49.5 5 5 A P H 3> S+ 0 0 31 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.904 104.2 44.6 -50.5 -44.8 5.9 33.1 -52.2 6 6 A Y H <> S+ 0 0 1 -3,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.924 112.2 50.9 -66.1 -46.7 9.1 35.1 -51.7 7 7 A L H X S+ 0 0 4 -4,-1.3 4,-2.2 1,-0.3 -1,-0.2 0.915 109.7 51.6 -57.2 -41.8 11.2 31.9 -51.6 8 8 A D H X S+ 0 0 78 -4,-3.2 4,-2.7 1,-0.2 -1,-0.3 0.840 106.6 54.4 -64.0 -33.6 9.6 30.9 -54.8 9 9 A L H X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.3 5,-0.2 0.926 106.5 51.5 -66.1 -41.8 10.4 34.3 -56.3 10 10 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.930 113.4 44.2 -60.1 -47.7 14.1 33.7 -55.4 11 11 A K H X S+ 0 0 80 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.932 112.0 52.8 -62.2 -47.7 14.1 30.4 -57.1 12 12 A K H X S+ 0 0 78 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.883 111.3 45.8 -56.8 -43.2 12.2 31.7 -60.2 13 13 A V H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.833 113.6 48.8 -72.7 -28.4 14.6 34.5 -60.7 14 14 A L H < S+ 0 0 52 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.788 118.5 43.5 -76.1 -29.1 17.6 32.1 -60.3 15 15 A D H < S+ 0 0 122 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.845 134.3 5.9 -85.8 -42.9 15.8 29.8 -62.7 16 16 A E H < S+ 0 0 104 -4,-3.0 2,-0.4 -5,-0.2 -3,-0.2 0.269 86.8 126.0-131.0 14.5 14.6 32.0 -65.6 17 17 A G < - 0 0 18 -4,-1.1 14,-0.2 -5,-0.3 2,-0.2 -0.592 50.1-143.5 -75.9 129.2 15.9 35.5 -64.9 18 18 A H E -A 30 0A 128 12,-1.7 12,-2.9 -2,-0.4 2,-0.4 -0.566 28.3 -94.3 -89.9 157.5 17.8 36.8 -67.9 19 19 A F E +A 29 0A 135 10,-0.2 10,-0.2 -2,-0.2 -1,-0.1 -0.601 52.1 171.9 -74.1 125.2 20.9 39.0 -67.4 20 20 A K E -A 28 0A 104 8,-2.5 8,-1.3 -2,-0.4 2,-0.1 -1.000 27.3-124.1-139.5 133.9 19.9 42.6 -67.5 21 21 A P - 0 0 104 0, 0.0 2,-0.3 0, 0.0 8,-0.0 -0.355 25.8-164.1 -73.1 158.7 22.1 45.7 -66.8 22 22 A D > - 0 0 33 -2,-0.1 3,-2.2 1,-0.0 5,-0.1 -0.885 38.0 -90.8-138.1 170.7 21.2 48.3 -64.2 23 23 A R T 3 S+ 0 0 170 -2,-0.3 293,-0.0 1,-0.3 -1,-0.0 0.700 123.9 49.7 -55.1 -25.9 22.2 51.9 -63.2 24 24 A T T 3 S- 0 0 22 291,-0.0 -1,-0.3 0, 0.0 292,-0.2 0.292 101.8-131.5 -98.8 8.9 25.0 50.7 -60.8 25 25 A H S < S+ 0 0 168 -3,-2.2 -2,-0.1 1,-0.1 291,-0.0 0.681 71.5 124.3 47.0 27.0 26.5 48.3 -63.4 26 26 A T S S- 0 0 37 290,-0.0 236,-0.3 1,-0.0 237,-0.2 0.600 70.0-122.7 -88.4 -12.3 26.5 45.5 -60.8 27 27 A G - 0 0 7 -5,-0.1 235,-2.6 234,-0.1 236,-0.3 0.498 29.8-160.6 77.8 133.8 24.5 43.1 -62.9 28 28 A T E -AB 20 261A 2 -8,-1.3 -8,-2.5 233,-0.3 2,-0.6 -0.970 23.4-122.5-144.9 160.5 21.2 41.5 -62.1 29 29 A Y E -AB 19 260A 70 231,-1.7 231,-1.6 -2,-0.3 2,-0.3 -0.938 44.1-162.1-104.0 117.4 19.0 38.6 -63.1 30 30 A S E +AB 18 259A 3 -12,-2.9 -12,-1.7 -2,-0.6 2,-0.3 -0.759 25.0 179.7-110.3 155.8 15.6 40.1 -64.1 31 31 A I E - B 0 258A 14 227,-1.2 227,-2.0 -2,-0.3 2,-0.6 -0.969 20.4-143.0-147.3 135.9 12.0 39.0 -64.6 32 32 A F E + B 0 257A 166 -2,-0.3 225,-0.2 225,-0.2 224,-0.2 -0.925 67.7 13.6-107.8 116.3 9.2 41.3 -65.7 33 33 A G E + 0 0 41 223,-2.2 2,-0.3 -2,-0.6 223,-0.2 0.558 64.3 149.1 92.7 120.7 5.8 40.8 -64.2 34 34 A H E - B 0 255A 54 221,-0.8 221,-2.7 -3,-0.1 2,-0.3 -0.905 21.3-159.7-176.6 152.1 4.9 38.7 -61.2 35 35 A Q E + B 0 254A 97 -2,-0.3 2,-0.4 219,-0.2 219,-0.2 -0.988 7.6 178.5-150.7 131.4 2.4 38.6 -58.3 36 36 A M E - B 0 253A 11 217,-2.2 217,-3.2 -2,-0.3 2,-0.3 -0.984 14.4-150.5-132.9 139.3 2.2 36.9 -54.9 37 37 A R E - B 0 252A 114 -2,-0.4 2,-0.4 215,-0.2 215,-0.2 -0.815 2.0-155.5-111.6 153.7 -0.5 37.2 -52.3 38 38 A F E - B 0 251A 5 213,-1.5 213,-2.4 -2,-0.3 2,-1.0 -0.994 12.4-142.7-129.9 127.5 -0.3 36.9 -48.5 39 39 A D E > - B 0 250A 54 -2,-0.4 3,-1.9 211,-0.2 4,-0.3 -0.781 13.2-166.2 -89.6 103.3 -3.2 35.9 -46.2 40 40 A L T 3 S+ 0 0 8 209,-1.8 -1,-0.1 -2,-1.0 210,-0.1 0.442 82.2 69.7 -71.7 -0.4 -2.7 38.2 -43.2 41 41 A S T 3 S+ 0 0 67 208,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.531 95.3 56.5 -90.5 -6.7 -5.1 36.1 -41.2 42 42 A K S < S- 0 0 145 -3,-1.9 237,-0.2 1,-0.4 2,-0.2 0.522 125.7 -68.8 -97.7 -8.8 -2.5 33.3 -41.2 43 43 A G - 0 0 13 -4,-0.3 -1,-0.4 -3,-0.1 238,-0.2 -0.622 59.7 -59.2 137.2 161.6 0.2 35.5 -39.7 44 44 A F - 0 0 3 236,-2.3 2,-1.9 -2,-0.2 187,-0.1 -0.624 47.0-130.2 -79.0 126.8 2.5 38.5 -40.3 45 45 A P + 0 0 4 0, 0.0 2,-0.7 0, 0.0 189,-0.1 -0.462 53.3 142.0 -75.8 66.3 4.8 37.9 -43.3 46 46 A L - 0 0 2 -2,-1.9 -43,-0.1 234,-0.1 4,-0.1 -0.955 62.3-106.6-109.0 112.3 8.2 38.9 -41.7 47 47 A L - 0 0 5 -2,-0.7 5,-0.4 180,-0.2 3,-0.3 -0.052 32.6-173.1 -43.3 124.6 10.7 36.5 -43.2 48 48 A T S S+ 0 0 0 1,-0.2 259,-3.0 229,-0.2 -1,-0.2 0.594 79.1 71.6 -94.9 -15.9 11.8 33.8 -40.7 49 49 A T S S+ 0 0 0 1,-0.2 2,-0.2 257,-0.2 -1,-0.2 0.199 113.5 22.5 -82.1 17.9 14.6 32.4 -42.9 50 50 A K S S- 0 0 15 -3,-0.3 2,-0.3 257,-0.1 -1,-0.2 -0.712 91.3-106.1 178.8 125.5 16.5 35.7 -42.2 51 51 A K - 0 0 127 256,-0.6 259,-0.3 -2,-0.2 -3,-0.1 -0.458 36.0-171.8 -66.0 118.9 16.4 38.2 -39.4 52 52 A V - 0 0 3 -5,-0.4 2,-0.8 -2,-0.3 3,-0.1 -0.970 27.6-120.5-117.2 121.6 14.7 41.4 -40.6 53 53 A P > - 0 0 58 0, 0.0 4,-1.0 0, 0.0 3,-0.1 -0.403 24.8-172.8 -61.7 98.2 14.7 44.5 -38.2 54 54 A F H > S+ 0 0 19 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.838 80.0 67.1 -63.6 -30.6 11.0 45.2 -37.7 55 55 A G H > S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.954 97.6 49.5 -53.1 -58.3 12.0 48.4 -35.8 56 56 A L H > S+ 0 0 51 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.804 113.7 48.0 -50.6 -39.6 13.4 50.1 -38.9 57 57 A I H X S+ 0 0 0 -4,-1.0 4,-2.8 -3,-0.2 3,-0.4 0.978 113.1 44.2 -68.2 -57.2 10.3 49.3 -40.8 58 58 A K H X S+ 0 0 26 -4,-2.7 4,-2.3 1,-0.3 5,-0.3 0.937 114.8 48.2 -58.1 -47.4 7.7 50.5 -38.3 59 59 A S H X S+ 0 0 4 -4,-2.7 4,-1.2 1,-0.2 -1,-0.3 0.790 114.8 47.4 -63.8 -29.6 9.6 53.7 -37.4 60 60 A E H X S+ 0 0 21 -4,-1.1 4,-1.9 -3,-0.4 -1,-0.2 0.850 111.0 50.5 -77.9 -37.7 9.9 54.4 -41.2 61 61 A L H X S+ 0 0 4 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.851 110.9 48.3 -69.3 -35.3 6.3 53.7 -41.9 62 62 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 6,-0.3 0.887 105.3 59.1 -70.4 -37.9 5.1 56.0 -39.1 63 63 A W H <>S+ 0 0 0 -4,-1.2 5,-1.3 -5,-0.3 3,-0.4 0.953 108.4 46.8 -52.2 -47.6 7.4 58.6 -40.5 64 64 A F H ><5S+ 0 0 9 -4,-1.9 3,-2.1 1,-0.2 -2,-0.2 0.922 109.4 52.0 -59.4 -53.5 5.4 58.3 -43.8 65 65 A L H 3<5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.756 102.5 59.2 -56.1 -33.0 2.0 58.4 -42.1 66 66 A H T 3<5S- 0 0 64 -4,-2.0 -1,-0.3 -3,-0.4 -2,-0.2 0.563 110.4-126.2 -73.2 -8.6 2.9 61.6 -40.2 67 67 A G T < 5 + 0 0 20 -3,-2.1 -3,-0.2 -4,-0.3 -2,-0.1 0.581 58.0 155.2 73.3 9.1 3.5 63.1 -43.7 68 68 A D < + 0 0 53 -5,-1.3 -1,-0.2 -6,-0.3 79,-0.1 -0.063 29.4 179.4 -62.0 165.2 6.9 64.0 -42.5 69 69 A T + 0 0 25 78,-0.1 73,-1.9 -3,-0.1 74,-0.6 0.246 50.2 101.9-149.3 0.6 9.8 64.4 -45.0 70 70 A N B > -F 141 0B 25 71,-0.2 3,-1.2 72,-0.1 4,-0.4 -0.832 64.3-142.8-100.9 132.7 12.6 65.4 -42.6 71 71 A I T >> S+ 0 0 0 69,-2.8 4,-2.1 -2,-0.4 3,-1.1 0.754 86.4 85.5 -61.2 -28.0 15.3 62.9 -41.6 72 72 A R H 3> S+ 0 0 54 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.800 86.9 54.5 -47.2 -35.2 15.5 64.2 -38.0 73 73 A F H <> S+ 0 0 24 -3,-1.2 4,-0.6 2,-0.2 -1,-0.3 0.912 109.0 47.8 -67.9 -40.3 12.6 62.0 -37.0 74 74 A L H X4>S+ 0 0 0 -3,-1.1 5,-2.0 -4,-0.4 3,-1.2 0.914 110.8 49.0 -67.2 -43.9 14.4 58.9 -38.3 75 75 A L H ><5S+ 0 0 11 -4,-2.1 3,-1.0 1,-0.3 -1,-0.2 0.781 102.9 64.1 -67.3 -24.4 17.7 59.7 -36.6 76 76 A Q H 3<5S+ 0 0 115 -4,-1.3 -1,-0.3 -5,-0.4 -2,-0.2 0.770 111.5 36.3 -67.5 -26.3 15.6 60.3 -33.4 77 77 A H T <<5S- 0 0 62 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.179 121.5-108.6-108.9 14.3 14.8 56.6 -33.7 78 78 A R T < 5 + 0 0 200 -3,-1.0 2,-0.5 1,-0.2 -3,-0.3 0.954 67.7 149.6 57.7 53.9 18.2 55.6 -35.0 79 79 A N < + 0 0 0 -5,-2.0 3,-0.3 -8,-0.2 -1,-0.2 -0.962 20.2 173.8-119.1 111.0 17.0 54.9 -38.5 80 80 A H > + 0 0 103 -2,-0.5 3,-0.9 1,-0.2 4,-0.4 0.297 43.4 112.7-104.1 15.5 19.6 55.5 -41.2 81 81 A I T 3 S+ 0 0 75 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.826 87.5 34.0 -56.0 -34.6 17.7 54.2 -44.2 82 82 A W T >> S+ 0 0 40 -3,-0.3 4,-1.1 1,-0.1 3,-0.9 0.525 86.8 102.6-102.6 -0.9 17.4 57.6 -45.8 83 83 A D H X> S+ 0 0 5 -3,-0.9 4,-2.8 1,-0.2 3,-1.0 0.876 73.2 60.3 -48.1 -54.1 20.6 59.3 -44.7 84 84 A E H 3> S+ 0 0 75 -4,-0.4 4,-2.3 1,-0.3 -1,-0.2 0.807 102.1 52.3 -45.9 -42.4 22.5 59.0 -48.0 85 85 A W H <> S+ 0 0 96 -3,-0.9 4,-0.7 2,-0.2 -1,-0.3 0.862 114.9 41.2 -67.7 -34.7 20.0 61.0 -50.0 86 86 A A H XX S+ 0 0 0 -4,-1.1 3,-1.3 -3,-1.0 4,-1.3 0.955 112.6 53.9 -75.2 -50.8 20.1 64.0 -47.6 87 87 A F H >X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.3 3,-0.8 0.892 100.4 62.4 -47.4 -47.0 23.9 63.8 -47.1 88 88 A E H 3X S+ 0 0 63 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.3 0.859 104.0 48.9 -48.3 -41.1 24.3 64.0 -50.9 89 89 A K H << S+ 0 0 86 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.792 109.4 50.1 -72.1 -32.0 22.6 67.4 -50.8 90 90 A W H X< S+ 0 0 23 -4,-1.3 3,-1.0 -3,-0.8 6,-0.2 0.899 109.7 53.6 -72.2 -40.0 24.9 68.7 -47.9 91 91 A V H 3< S+ 0 0 11 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.917 110.2 43.3 -60.8 -48.8 27.9 67.5 -49.9 92 92 A K T 3< S+ 0 0 121 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.3 0.398 93.7 112.0 -79.8 4.9 27.1 69.4 -53.1 93 93 A S S X S- 0 0 16 -3,-1.0 3,-2.4 1,-0.1 -3,-0.0 -0.629 73.1-133.5 -80.9 136.2 26.1 72.4 -51.0 94 94 A D T 3 S+ 0 0 143 -2,-0.3 -1,-0.1 1,-0.3 -4,-0.1 0.641 106.0 66.1 -62.3 -16.4 28.4 75.5 -51.2 95 95 A E T 3 S+ 0 0 90 -5,-0.1 2,-0.7 2,-0.0 -1,-0.3 0.587 78.9 104.9 -80.1 -9.0 28.4 75.7 -47.4 96 96 A Y < + 0 0 29 -3,-2.4 2,-0.6 -6,-0.2 -5,-0.0 -0.626 43.0 171.0 -79.1 108.9 30.3 72.4 -47.5 97 97 A H + 0 0 161 -2,-0.7 -1,-0.0 3,-0.0 -3,-0.0 -0.860 43.0 78.1-120.8 89.3 33.9 73.0 -46.7 98 98 A G S S- 0 0 42 -2,-0.6 3,-0.1 -7,-0.1 -2,-0.0 -0.934 82.4 -23.4-168.2-170.7 35.5 69.7 -46.2 99 99 A P S S- 0 0 52 0, 0.0 2,-0.6 0, 0.0 -1,-0.0 -0.102 73.5 -92.3 -54.3 144.8 36.9 66.6 -48.0 100 100 A D - 0 0 122 1,-0.1 2,-0.1 -3,-0.0 -9,-0.0 -0.456 41.6-178.7 -63.7 108.1 35.8 65.8 -51.6 101 101 A M > + 0 0 2 -2,-0.6 3,-0.8 -10,-0.1 2,-0.5 -0.267 21.0 153.7-104.7 45.2 32.8 63.4 -51.2 102 102 A T T 3 S- 0 0 79 1,-0.3 5,-0.1 2,-0.1 -2,-0.0 -0.650 76.7 -9.5 -79.6 122.4 32.2 62.9 -54.9 103 103 A D T 3> S+ 0 0 95 -2,-0.5 4,-1.7 1,-0.1 3,-0.5 0.954 77.9 173.1 52.8 56.6 30.5 59.5 -55.6 104 104 A F H <> + 0 0 10 -3,-0.8 4,-2.6 1,-0.2 5,-0.3 0.797 63.5 74.3 -62.8 -28.8 31.1 58.4 -52.0 105 105 A G H > S+ 0 0 5 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.896 108.4 25.0 -53.0 -52.9 29.0 55.3 -52.7 106 106 A H H > S+ 0 0 63 -3,-0.5 4,-2.1 210,-0.2 5,-0.2 0.906 120.4 57.5 -80.1 -42.8 31.5 53.4 -54.7 107 107 A R H X S+ 0 0 91 -4,-1.7 4,-1.8 1,-0.2 7,-0.3 0.865 107.0 48.0 -56.0 -43.2 34.6 55.1 -53.3 108 108 A S H < S+ 0 0 19 -4,-2.6 7,-0.3 1,-0.2 -1,-0.2 0.849 109.5 55.0 -67.1 -37.1 33.8 54.1 -49.7 109 109 A Q H < S+ 0 0 100 -4,-0.7 -2,-0.2 -5,-0.3 -1,-0.2 0.900 121.0 26.8 -63.4 -46.2 33.2 50.5 -50.8 110 110 A K H < S+ 0 0 116 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.960 114.2 61.5 -82.0 -62.5 36.6 50.1 -52.5 111 111 A D 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