==== 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 19-APR-00 1EVF . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.PHAN,E.MAHDAVIAN,M.C.NIVENS,W.MINOR,S.BERGER,H.T.SPENCER, . 264 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13037.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 15.9 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 24 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 0 1 1 0 0 1 1 1 0 0 0 0 1 0 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 1 2 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 X > 0 0 4 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 155.5 115.8 54.4 66.5 2 2 A K H > + 0 0 113 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.896 360.0 47.3 -48.5 -51.4 112.9 56.8 66.7 3 3 A Q H > S+ 0 0 55 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.894 113.8 48.1 -59.8 -42.9 110.3 54.0 66.9 4 4 A Y H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.922 112.3 47.1 -65.8 -46.4 112.3 52.2 69.5 5 5 A L H X S+ 0 0 19 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.857 108.9 55.4 -65.6 -34.9 112.9 55.2 71.8 6 6 A E H X S+ 0 0 114 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.864 107.5 49.9 -67.0 -33.0 109.2 56.2 71.5 7 7 A L H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.932 108.6 52.1 -69.7 -43.7 108.2 52.8 72.8 8 8 A M H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.944 112.1 46.2 -54.9 -49.3 110.7 53.0 75.7 9 9 A Q H X S+ 0 0 77 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.865 109.8 54.5 -62.1 -38.1 109.1 56.4 76.6 10 10 A K H X>S+ 0 0 53 -4,-1.9 4,-3.2 2,-0.2 5,-0.5 0.900 107.8 48.8 -64.1 -41.8 105.6 55.0 76.3 11 11 A V H X5S+ 0 0 0 -4,-2.5 4,-1.9 3,-0.2 -1,-0.2 0.909 113.4 48.4 -64.3 -40.2 106.3 52.2 78.7 12 12 A L H <5S+ 0 0 33 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.934 119.4 37.7 -64.2 -46.0 107.8 54.7 81.1 13 13 A D H <5S+ 0 0 114 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.852 134.9 18.7 -75.1 -37.7 104.8 57.1 80.8 14 14 A E H <5S+ 0 0 121 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.550 90.4 119.3-113.3 -11.8 102.0 54.6 80.6 15 15 A G << - 0 0 18 -4,-1.9 2,-0.4 -5,-0.5 14,-0.2 -0.203 55.5-134.2 -59.3 147.1 103.4 51.3 82.0 16 16 A T E -A 28 0A 83 12,-2.6 12,-2.0 1,-0.0 2,-0.4 -0.812 21.7-114.2-102.3 144.1 101.8 49.7 85.0 17 17 A Q E +A 27 0A 120 -2,-0.4 10,-0.2 10,-0.2 2,-0.2 -0.620 60.5 112.9 -81.5 131.9 103.9 48.4 87.9 18 18 A K E -A 26 0A 90 8,-2.2 8,-0.9 -2,-0.4 2,-0.3 -0.631 54.7 -85.2-159.8-140.4 103.8 44.6 88.5 19 19 A N E -A 25 0A 112 6,-0.3 6,-0.2 -2,-0.2 5,-0.0 -0.942 19.7-141.7-147.1 166.4 106.0 41.5 88.3 20 20 A D S S- 0 0 57 4,-0.8 2,-1.2 -2,-0.3 -1,-0.1 0.276 78.8 -21.4-101.4-132.0 107.2 38.9 85.8 21 21 A R S S- 0 0 193 1,-0.2 -1,-0.0 3,-0.1 0, 0.0 0.030 116.9 -75.1 -69.9 32.4 107.8 35.2 86.4 22 22 A T S S+ 0 0 132 -2,-1.2 -1,-0.2 2,-0.2 2,-0.2 0.900 115.0 73.5 67.0 98.4 108.0 36.2 90.0 23 23 A G S S+ 0 0 62 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.619 85.4 32.0 171.5-102.8 111.4 37.9 90.4 24 24 A T S S- 0 0 26 -2,-0.2 -4,-0.8 239,-0.1 -2,-0.2 -0.660 78.0-122.7 -86.6 135.6 112.2 41.4 89.1 25 25 A G E -A 19 0A 13 -2,-0.3 185,-2.5 -6,-0.2 186,-0.3 -0.241 31.2-162.4 -69.8 163.8 109.4 43.9 88.9 26 26 A T E -AB 18 209A 3 -8,-0.9 -8,-2.2 183,-0.3 2,-0.5 -0.938 25.1-131.9-144.7 166.1 108.4 45.6 85.7 27 27 A L E +AB 17 208A 28 181,-2.2 181,-2.3 -2,-0.3 2,-0.3 -0.986 44.5 178.5-114.5 126.2 106.6 48.5 84.1 28 28 A S E -AB 16 207A 7 -12,-2.0 -12,-2.6 -2,-0.5 2,-0.3 -0.976 27.9-169.8-142.1 153.2 104.4 47.1 81.3 29 29 A I E - B 0 206A 17 177,-2.4 177,-2.3 -2,-0.3 2,-0.5 -0.832 22.9-132.6-125.4 163.7 101.9 48.0 78.7 30 30 A F E S+ B 0 205A 165 -2,-0.3 175,-0.2 1,-0.2 174,-0.1 -0.973 71.0 15.2-126.2 120.7 99.8 45.6 76.6 31 31 A G E + 0 0 40 173,-2.0 2,-0.3 -2,-0.5 -1,-0.2 0.674 63.3 162.4 88.3 112.5 99.5 45.9 72.9 32 32 A H E - B 0 203A 38 171,-1.2 171,-2.5 -3,-0.1 2,-0.3 -0.979 14.1-167.8-155.8 155.0 101.8 48.0 70.7 33 33 A Q E + B 0 202A 108 -2,-0.3 2,-0.3 169,-0.2 169,-0.2 -0.985 8.2 170.8-151.2 138.4 102.7 48.3 67.1 34 34 A M E - B 0 201A 15 167,-2.0 167,-2.7 -2,-0.3 2,-0.4 -0.966 18.9-139.7-144.1 159.1 105.4 50.0 65.1 35 35 A R E - B 0 200A 126 -2,-0.3 2,-0.5 165,-0.2 165,-0.2 -0.967 5.9-163.6-128.5 140.5 106.5 50.0 61.5 36 36 A F E - B 0 199A 5 163,-2.4 163,-2.2 -2,-0.4 2,-1.0 -0.970 14.8-147.2-122.9 112.6 110.0 50.0 59.9 37 37 A N E > - B 0 198A 56 -2,-0.5 3,-2.1 161,-0.2 161,-0.2 -0.726 11.4-156.6 -78.1 108.8 110.2 50.9 56.3 38 38 A L G > S+ 0 0 6 159,-2.5 3,-0.9 -2,-1.0 -1,-0.2 0.651 87.4 70.4 -64.1 -13.6 113.2 48.7 55.4 39 39 A Q G 3 S+ 0 0 96 158,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.683 91.7 60.7 -75.3 -17.4 113.9 50.9 52.4 40 40 A D G < S- 0 0 123 -3,-2.1 187,-0.3 1,-0.3 -1,-0.2 0.498 124.7 -67.3 -87.3 -4.5 114.9 53.6 54.9 41 41 A G < - 0 0 15 -3,-0.9 -1,-0.3 -4,-0.2 188,-0.2 -0.560 63.0 -58.8 135.1 160.3 117.8 51.5 56.3 42 42 A F - 0 0 2 186,-2.7 2,-2.5 -2,-0.2 137,-0.1 -0.615 52.6-125.4 -76.1 121.9 118.4 48.3 58.3 43 43 A P + 0 0 1 0, 0.0 2,-0.6 0, 0.0 139,-0.1 -0.317 56.0 142.4 -68.7 64.6 116.7 48.7 61.7 44 44 A L - 0 0 3 -2,-2.5 132,-0.1 184,-0.1 6,-0.1 -0.937 59.3-107.7-107.2 117.3 119.7 48.0 64.0 45 45 A V - 0 0 0 -2,-0.6 5,-0.4 130,-0.2 3,-0.1 -0.093 32.5-175.0 -45.5 134.7 119.5 50.3 67.1 46 46 A T S S+ 0 0 0 179,-0.1 209,-3.0 3,-0.1 -1,-0.1 0.556 70.3 79.2-108.8 -15.2 122.1 53.1 67.1 47 47 A T S S+ 0 0 0 207,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.411 110.6 19.3 -76.5 5.3 121.5 54.5 70.5 48 48 A K S S- 0 0 10 207,-0.1 2,-0.3 -3,-0.1 209,-0.3 -0.900 99.3 -92.5-166.7 142.6 123.6 51.6 71.9 49 49 A R + 0 0 113 206,-0.3 2,-0.3 -2,-0.3 209,-0.3 -0.484 45.3 179.2 -69.7 125.4 126.1 49.3 70.2 50 50 A X - 0 0 42 -5,-0.4 2,-0.3 -2,-0.3 -6,-0.0 -0.866 15.3-148.5-121.9 155.2 124.6 46.1 68.9 51 51 A H - 0 0 120 -2,-0.3 4,-0.3 1,-0.1 3,-0.1 -0.928 7.5-154.6-123.2 148.3 126.3 43.2 67.0 52 52 A L S > S+ 0 0 19 -2,-0.3 4,-3.1 1,-0.1 5,-0.3 0.510 70.5 97.7 -99.3 -6.9 124.7 41.0 64.4 53 53 A R H > S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.921 91.4 34.6 -47.4 -59.6 126.9 37.9 64.9 54 54 A S H > S+ 0 0 33 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.885 116.2 57.1 -65.7 -38.7 124.6 36.0 67.2 55 55 A I H > S+ 0 0 1 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.934 109.5 44.9 -56.7 -49.8 121.4 37.2 65.4 56 56 A I H X S+ 0 0 7 -4,-3.1 4,-2.3 2,-0.2 5,-0.2 0.946 114.2 47.6 -61.7 -50.9 122.7 35.9 62.0 57 57 A H H X S+ 0 0 3 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.918 111.4 50.9 -58.5 -44.8 123.8 32.5 63.4 58 58 A E H X S+ 0 0 14 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.906 110.3 49.6 -60.8 -41.5 120.5 32.0 65.3 59 59 A L H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.916 110.8 48.0 -65.2 -43.3 118.4 32.8 62.2 60 60 A L H X S+ 0 0 16 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.880 112.5 51.8 -63.3 -35.4 120.4 30.4 60.0 61 61 A W H X S+ 0 0 8 -4,-2.1 4,-0.8 -5,-0.2 5,-0.5 0.900 108.0 50.6 -66.3 -43.7 120.0 27.8 62.8 62 62 A F H >< S+ 0 0 1 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.946 108.6 52.5 -58.6 -49.5 116.2 28.4 62.9 63 63 A L H 3< S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.738 103.8 57.0 -60.7 -25.4 116.0 27.9 59.1 64 64 A Q H 3< S- 0 0 111 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.702 99.3-139.7 -79.8 -20.0 117.8 24.6 59.3 65 65 A G << + 0 0 17 -3,-1.2 2,-0.6 -4,-0.8 -3,-0.1 0.387 57.3 129.1 80.1 -4.8 115.2 23.3 61.7 66 66 A D - 0 0 104 -5,-0.5 -1,-0.2 1,-0.1 -2,-0.1 -0.765 41.3-163.7 -87.2 123.0 117.6 21.4 64.1 67 67 A T + 0 0 22 -2,-0.6 23,-0.6 -3,-0.1 2,-0.4 0.232 55.6 106.5 -91.8 13.3 116.9 22.4 67.7 68 68 A N B > S-F 89 0B 37 21,-0.2 3,-0.6 1,-0.1 4,-0.3 -0.767 70.8-135.8 -90.4 140.4 120.1 21.1 69.1 69 69 A I T 3> S+ 0 0 20 19,-2.6 4,-2.9 -2,-0.4 5,-0.2 0.359 76.1 108.1 -78.6 8.0 122.5 23.9 70.0 70 70 A A H 3> S+ 0 0 48 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.915 79.5 47.9 -49.3 -52.2 125.5 22.1 68.5 71 71 A Y H <> S+ 0 0 69 -3,-0.6 4,-1.0 1,-0.2 -1,-0.2 0.912 112.6 48.5 -57.4 -45.8 125.7 24.5 65.6 72 72 A L H >4>S+ 0 0 0 -4,-0.3 5,-3.0 1,-0.2 3,-0.6 0.927 112.0 49.8 -61.0 -44.8 125.4 27.6 67.8 73 73 A H H ><5S+ 0 0 120 -4,-2.9 3,-2.1 1,-0.2 -2,-0.2 0.894 103.5 58.2 -61.0 -43.3 128.2 26.2 70.1 74 74 A E H 3<5S+ 0 0 143 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.789 112.9 42.2 -58.1 -27.0 130.5 25.5 67.2 75 75 A N T <<5S- 0 0 47 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.159 118.7-110.3-106.2 16.7 130.3 29.2 66.4 76 76 A N T < 5 + 0 0 120 -3,-2.1 2,-0.7 1,-0.2 -3,-0.2 0.844 66.2 148.7 57.2 38.5 130.5 30.4 70.0 77 77 A V < + 0 0 0 -5,-3.0 -1,-0.2 -8,-0.2 3,-0.2 -0.925 15.0 170.4-103.0 116.5 126.9 31.6 70.1 78 78 A T > + 0 0 84 -2,-0.7 3,-1.3 1,-0.1 4,-0.5 0.316 40.0 108.4-112.9 7.8 125.7 31.1 73.7 79 79 A I T 3 S+ 0 0 64 1,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.697 86.9 44.4 -60.9 -19.9 122.3 32.8 73.9 80 80 A W T >> S+ 0 0 11 -3,-0.2 3,-1.4 1,-0.1 4,-1.4 0.506 84.8 93.5-101.8 -5.7 120.5 29.5 74.1 81 81 A D T <4 S+ 0 0 71 -3,-1.3 3,-0.3 1,-0.3 -2,-0.1 0.857 77.2 64.6 -52.3 -41.0 122.8 27.8 76.7 82 82 A E T 34 S+ 0 0 163 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.798 112.0 33.8 -53.2 -34.9 120.6 29.0 79.5 83 83 A W T <4 S+ 0 0 58 -3,-1.4 -1,-0.2 -4,-0.1 -2,-0.2 0.620 96.3 100.2-100.4 -16.6 117.7 26.8 78.3 84 84 A A < - 0 0 22 -4,-1.4 6,-0.2 -3,-0.3 -16,-0.0 -0.427 62.7-135.6 -75.7 145.8 119.6 23.8 76.8 85 85 A D > - 0 0 64 4,-2.1 3,-1.4 -2,-0.1 -1,-0.1 -0.105 43.0 -74.2 -85.9-169.6 119.9 20.5 78.7 86 86 A E T 3 S+ 0 0 175 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.839 133.6 46.8 -55.7 -39.2 123.0 18.3 79.1 87 87 A N T 3 S- 0 0 116 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.538 119.9-107.6 -82.8 -6.4 122.8 17.0 75.6 88 88 A G S < S+ 0 0 8 -3,-1.4 -19,-2.6 1,-0.3 2,-0.2 0.622 72.4 143.3 89.6 14.4 122.3 20.5 74.2 89 89 A D B -F 68 0B 62 -21,-0.2 -4,-2.1 1,-0.1 -1,-0.3 -0.604 33.1-177.8 -91.0 151.3 118.6 19.9 73.4 90 90 A L - 0 0 5 -23,-0.6 52,-2.6 1,-0.4 53,-0.3 0.348 42.5-119.4-123.9 -2.6 115.8 22.5 73.7 91 91 A G - 0 0 24 50,-0.2 2,-2.4 1,-0.1 -1,-0.4 -0.350 66.3 -28.5 86.1-176.3 112.8 20.5 72.7 92 92 A P S S+ 0 0 15 0, 0.0 49,-0.2 0, 0.0 -1,-0.1 -0.276 87.7 152.4 -73.6 57.4 110.6 21.4 69.7 93 93 A V >> - 0 0 1 -2,-2.4 3,-1.5 47,-0.1 4,-1.2 0.008 61.2 -46.3 -76.2-172.2 111.2 25.2 69.8 94 94 A Y H >> S+ 0 0 6 1,-0.3 4,-2.8 2,-0.2 3,-0.5 0.677 131.8 48.0 -18.8 -71.5 111.1 27.7 66.9 95 95 A G H 3> S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.854 109.7 52.9 -49.2 -43.7 113.1 25.8 64.2 96 96 A K H <> S+ 0 0 49 -3,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.889 113.9 42.7 -62.4 -39.8 111.3 22.5 64.7 97 97 A Q H - 0 0 25 4,-2.4 3,-1.5 -2,-0.3 4,-0.0 -0.629 29.3-112.3-101.0 162.9 100.7 16.8 62.7 104 104 A P T 3 S+ 0 0 143 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.769 114.5 59.9 -67.6 -20.3 98.4 14.2 64.3 105 105 A D T 3 S- 0 0 103 2,-0.0 0, 0.0 1,-0.0 0, 0.0 0.236 124.5 -95.0 -92.4 17.1 98.6 12.0 61.1 106 106 A G S < S+ 0 0 65 -3,-1.5 2,-0.2 1,-0.3 -1,-0.0 0.662 81.6 126.3 86.0 18.3 102.3 11.6 61.2 107 107 A R - 0 0 127 -4,-0.0 -4,-2.4 -6,-0.0 2,-0.5 -0.635 50.8-139.9-106.9 164.6 103.5 14.4 58.9 108 108 A H E -G 102 0C 122 -6,-0.2 2,-0.5 -2,-0.2 -7,-0.1 -0.961 20.2-144.7-125.8 111.0 106.0 17.2 59.4 109 109 A I E -G 101 0C 50 -8,-2.8 -8,-2.1 -2,-0.5 2,-1.2 -0.655 1.8-151.1 -85.6 122.6 105.0 20.5 57.9 110 110 A D > + 0 0 37 -2,-0.5 4,-2.0 -10,-0.2 -11,-0.2 -0.747 18.0 177.3 -89.5 93.8 107.6 22.8 56.4 111 111 A Q H > S+ 0 0 25 -13,-1.3 4,-2.4 -2,-1.2 -12,-0.2 0.813 76.3 56.1 -70.2 -30.0 106.1 26.2 56.9 112 112 A I H > S+ 0 0 1 -14,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.953 110.7 43.1 -67.8 -47.5 109.1 28.1 55.5 113 113 A T H > S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.913 112.7 55.1 -63.8 -39.2 108.9 26.2 52.2 114 114 A T H X S+ 0 0 61 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.941 108.3 47.9 -57.2 -48.2 105.2 26.6 52.2 115 115 A V H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.891 111.4 49.4 -61.5 -41.2 105.5 30.4 52.5 116 116 A L H X S+ 0 0 13 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.885 109.2 53.1 -65.9 -36.9 108.1 30.6 49.7 117 117 A N H X S+ 0 0 78 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.915 112.0 46.1 -61.7 -43.2 105.7 28.5 47.6 118 118 A Q H X S+ 0 0 34 -4,-2.3 4,-2.8 2,-0.2 7,-0.2 0.896 109.5 52.2 -67.5 -43.0 102.9 31.0 48.3 119 119 A L H < S+ 0 0 8 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.847 115.8 43.8 -63.2 -31.0 105.1 34.1 47.7 120 120 A K H < S+ 0 0 100 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.891 130.8 18.6 -80.8 -42.4 106.0 32.6 44.3 121 121 A N H < S+ 0 0 121 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.656 137.8 22.9-105.9 -19.0 102.6 31.3 43.1 122 122 A D >< + 0 0 90 -4,-2.8 3,-2.2 -5,-0.3 -2,-0.1 -0.362 62.1 161.6-147.1 60.3 100.0 33.2 45.2 123 123 A P T 3 S+ 0 0 44 0, 0.0 31,-0.6 0, 0.0 -4,-0.1 0.683 75.3 60.0 -56.6 -21.3 101.6 36.4 46.5 124 124 A D T 3 S+ 0 0 129 -6,-0.1 -5,-0.1 29,-0.1 -6,-0.0 0.411 76.0 130.8 -89.8 4.5 98.2 38.0 47.2 125 125 A S < - 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