==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE(INTRAMOLECULAR OXIDOREDUCTSE) 01-SEP-76 1TIM . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR D.W.BANNER,A.C.BLOOMER,G.A.PETSKO,D.C.PHILLIPS,I.A.WILSON . 494 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 0 0.0 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 . 55 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 0 7 4 1 1 1 0 0 4 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 3 5 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 101 0, 0.0 201,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -56.6 43.9 10.9 -6.2 2 2 A P - 0 0 92 0, 0.0 3,-0.1 0, 0.0 200,-0.0 0.991 360.0-162.3 -59.8 -72.4 46.7 12.8 -4.6 3 4 A R - 0 0 91 199,-0.1 3,-0.2 1,-0.1 202,-0.1 0.797 35.9-133.7 83.2 29.9 44.9 15.6 -2.7 4 5 A K - 0 0 93 1,-0.2 -1,-0.1 32,-0.1 32,-0.1 0.207 24.6 -94.2 -22.7 116.3 48.4 17.1 -2.7 5 6 A F - 0 0 28 30,-0.4 32,-2.7 1,-0.1 2,-0.5 -0.127 49.0-154.4 -45.0 122.9 49.1 18.5 0.8 6 7 A F E -ab 37 227A 0 220,-2.6 222,-2.9 -3,-0.2 2,-0.5 -0.906 17.5-173.7-117.5 124.7 48.2 22.1 0.9 7 8 A V E -ab 38 228A 0 30,-2.7 32,-2.8 -2,-0.5 2,-0.5 -0.933 7.2-162.8-114.4 127.8 49.4 25.0 3.1 8 9 A G E -ab 39 229A 4 220,-3.2 222,-2.9 -2,-0.5 2,-0.7 -0.937 1.4-164.7-109.6 121.5 47.9 28.4 3.0 9 10 A G E -ab 40 230A 3 30,-2.9 32,-2.9 -2,-0.5 2,-0.7 -0.902 8.1-174.2-110.1 102.9 49.9 31.2 4.4 10 11 A N E -a 41 0A 10 220,-2.3 32,-0.2 -2,-0.7 224,-0.1 -0.890 10.0-170.4-106.0 110.3 47.7 34.3 5.0 11 12 A W - 0 0 7 30,-2.6 3,-0.4 -2,-0.7 31,-0.1 0.569 20.7-168.8 -69.9 -19.0 49.6 37.3 6.2 12 13 A K - 0 0 34 29,-0.4 2,-0.7 1,-0.2 -1,-0.2 -0.238 56.5 -37.3 61.9-149.0 46.6 39.4 7.0 13 14 A M B S+I 319 0B 0 306,-1.8 306,-3.0 29,-0.1 2,-0.2 -0.720 117.3 90.1-114.8 71.4 47.0 43.2 7.7 14 15 A N + 0 0 37 -2,-0.7 312,-0.1 -3,-0.4 -3,-0.1 -0.699 44.9 79.0-145.1-174.0 50.3 42.6 9.5 15 16 A G - 0 0 22 -2,-0.2 2,-0.2 27,-0.0 -1,-0.1 0.702 55.9-138.5 68.3 126.0 53.9 42.5 8.4 16 17 A K > - 0 0 119 1,-0.1 4,-2.9 316,-0.0 5,-0.3 -0.627 38.8 -90.7-106.5 167.9 56.0 45.6 7.8 17 18 A R H > S+ 0 0 82 -2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.932 126.0 42.5 -41.6 -65.8 58.4 45.9 4.8 18 19 A K H > S+ 0 0 136 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.928 115.1 44.9 -43.1 -72.1 61.3 44.5 6.8 19 20 A S H > S+ 0 0 43 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.900 114.7 50.3 -44.0 -52.8 59.6 41.7 8.6 20 21 A L H X S+ 0 0 6 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.959 109.5 49.3 -55.2 -54.0 57.8 40.5 5.5 21 22 A G H X S+ 0 0 5 -4,-3.0 4,-3.1 -5,-0.3 -1,-0.2 0.937 112.5 50.9 -46.8 -51.6 61.0 40.5 3.4 22 23 A E H X S+ 0 0 124 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.956 108.9 49.3 -46.5 -66.3 62.6 38.5 6.3 23 24 A L H X S+ 0 0 18 -4,-3.1 4,-3.1 1,-0.2 -1,-0.2 0.887 113.8 46.1 -41.4 -57.0 59.7 36.0 6.3 24 25 A I H X S+ 0 0 1 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.960 110.9 51.0 -55.4 -56.9 59.9 35.4 2.6 25 26 A H H X S+ 0 0 109 -4,-3.1 4,-2.4 -5,-0.2 5,-0.2 0.927 112.5 48.5 -42.6 -58.1 63.7 35.1 2.5 26 27 A T H X S+ 0 0 67 -4,-2.9 4,-3.2 1,-0.2 -1,-0.2 0.949 109.6 50.9 -46.9 -61.4 63.5 32.5 5.3 27 28 A L H < S+ 0 0 10 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.875 110.9 51.1 -47.0 -43.9 60.7 30.6 3.5 28 29 A D H < S+ 0 0 27 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.993 111.0 44.2 -57.9 -69.6 62.9 30.6 0.3 29 30 A G H < S+ 0 0 62 -4,-2.4 2,-0.6 1,-0.1 -2,-0.2 0.899 88.8 103.9 -34.9 -58.4 66.0 29.2 2.0 30 31 A A < - 0 0 20 -4,-3.2 -1,-0.1 -5,-0.2 -4,-0.0 0.072 58.5-167.9 -31.7 77.1 63.8 26.8 3.8 31 32 A K + 0 0 138 -2,-0.6 -1,-0.1 2,-0.0 -2,-0.0 0.901 52.5 111.1 -35.1 -72.6 64.7 23.8 1.7 32 33 A L + 0 0 91 1,-0.1 212,-0.0 212,-0.0 211,-0.0 0.336 36.1 133.7 -9.1 122.0 61.8 21.7 3.0 33 34 A S + 0 0 57 211,-0.1 3,-0.1 210,-0.0 -1,-0.1 0.174 18.7 151.6-142.2 -86.5 59.6 21.5 -0.0 34 35 A A S S- 0 0 77 1,-0.2 2,-0.5 3,-0.0 210,-0.0 -0.339 74.2 -34.1 82.1-160.9 58.1 18.1 -0.9 35 36 A D S S+ 0 0 136 -2,-0.1 -30,-0.4 2,-0.1 2,-0.4 -0.305 104.0 129.1 -93.7 47.0 54.9 17.1 -2.6 36 37 A T - 0 0 28 -2,-0.5 2,-0.7 -3,-0.1 -30,-0.2 -0.900 55.1-149.3-112.0 134.3 53.6 20.2 -0.9 37 38 A E E -a 6 0A 67 -32,-2.7 -30,-2.7 -2,-0.4 2,-0.5 -0.921 20.8-171.6 -99.6 114.6 51.7 23.1 -2.5 38 39 A V E -ac 7 58A 14 19,-0.8 21,-3.1 -2,-0.7 2,-0.5 -0.956 2.3-173.7-113.2 117.9 52.6 26.2 -0.5 39 40 A V E -ac 8 59A 7 -32,-2.8 -30,-2.9 -2,-0.5 2,-0.4 -0.949 5.4-161.2-120.5 119.8 50.6 29.4 -1.3 40 41 A C E -ac 9 60A 1 19,-4.1 21,-1.8 -2,-0.5 2,-0.4 -0.790 6.3-172.3 -99.0 135.3 51.4 32.8 0.3 41 42 A G E +a 10 0A 3 -32,-2.9 -30,-2.6 -2,-0.4 -29,-0.4 -0.985 8.0 170.2-133.3 126.5 49.0 35.7 0.4 42 43 A A - 0 0 2 -2,-0.4 5,-0.3 -32,-0.2 -29,-0.1 -0.985 45.4 -60.4-140.0 148.7 49.6 39.3 1.5 43 44 A P > - 0 0 1 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.267 62.8-100.4 -22.3 131.9 47.9 42.8 1.5 44 45 A S T 4 S+ 0 0 22 1,-0.2 4,-0.5 19,-0.2 3,-0.2 0.752 120.0 38.1 -22.0 -68.3 47.2 44.0 -2.0 45 46 A I T >> S+ 0 0 7 1,-0.2 3,-1.3 2,-0.2 4,-0.8 0.932 112.5 51.2 -53.5 -63.6 50.2 46.3 -2.2 46 47 A Y H 3> S+ 0 0 4 1,-0.3 4,-3.4 2,-0.2 -1,-0.2 0.779 96.0 87.0 -47.8 -25.1 52.8 44.2 -0.4 47 48 A L H 3X S+ 0 0 2 -4,-2.2 4,-2.9 -5,-0.3 -1,-0.3 0.861 85.3 44.9 -37.8 -64.0 51.4 41.8 -3.0 48 49 A D H <> S+ 0 0 7 -3,-1.3 4,-2.9 -4,-0.5 5,-0.3 0.940 113.5 50.0 -52.0 -55.8 53.9 42.9 -5.7 49 50 A F H X S+ 0 0 32 -4,-0.8 4,-3.8 1,-0.2 5,-0.4 0.956 110.2 52.2 -45.2 -60.7 56.8 42.8 -3.4 50 51 A A H X S+ 0 0 0 -4,-3.4 4,-3.5 2,-0.2 -2,-0.2 0.906 111.6 45.7 -40.5 -62.3 55.7 39.3 -2.3 51 52 A R H < S+ 0 0 49 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.942 117.5 43.3 -45.6 -64.1 55.6 38.1 -5.9 52 53 A Q H < S+ 0 0 139 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.796 119.7 39.8 -53.1 -44.0 58.9 39.7 -6.8 53 54 A K H < S+ 0 0 79 -4,-3.8 -1,-0.2 -5,-0.3 -2,-0.2 0.918 109.2 72.6 -76.6 -41.8 60.8 38.7 -3.7 54 55 A L S < S- 0 0 11 -4,-3.5 2,-0.4 -5,-0.4 3,-0.1 -0.023 78.2-120.3 -67.6 171.5 59.3 35.2 -3.5 55 56 A D > - 0 0 62 -31,-0.1 3,-3.3 1,-0.1 -1,-0.1 -0.967 26.6-104.9-126.6 128.4 59.9 32.1 -5.6 56 57 A A T 3 S+ 0 0 88 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.476 112.1 70.4 2.6 -82.5 57.6 30.0 -7.8 57 58 A K T 3 S+ 0 0 88 -3,-0.1 -19,-0.8 -18,-0.1 2,-0.7 0.641 96.4 57.4 -14.1 -50.2 57.4 27.2 -5.3 58 59 A I E < S-c 38 0A 4 -3,-3.3 -19,-0.3 -21,-0.1 2,-0.2 -0.863 87.9-147.2 -94.9 119.1 55.4 29.4 -3.0 59 60 A G E -c 39 0A 16 -21,-3.1 -19,-4.1 -2,-0.7 2,-0.6 -0.596 10.4-131.4 -83.2 153.3 52.3 30.5 -5.0 60 61 A V E +c 40 0A 2 26,-0.3 28,-1.8 -21,-0.2 29,-1.7 -0.937 29.8 172.4-113.3 114.4 51.0 34.0 -4.1 61 62 A A E -d 89 0A 3 -21,-1.8 2,-0.3 -2,-0.6 29,-0.3 -0.913 23.3-135.6-116.4 141.3 47.2 34.2 -3.5 62 63 A A E -d 90 0A 7 27,-0.8 29,-2.9 -2,-0.4 2,-0.7 -0.779 15.5-119.8-103.5 146.7 45.6 37.4 -2.2 63 64 A Q E S+d 91 0A 7 -2,-0.3 -19,-0.2 27,-0.2 29,-0.2 -0.738 87.8 17.1 -86.9 120.1 43.1 37.7 0.6 64 65 A N - 0 0 18 27,-3.3 2,-0.3 -2,-0.7 28,-0.2 0.659 69.4-163.9 87.5 116.9 39.9 39.2 -0.8 65 66 A C - 0 0 1 25,-0.1 2,-0.4 26,-0.0 13,-0.1 -0.883 11.9-131.8-125.7 155.8 39.1 39.4 -4.5 66 67 A Y - 0 0 10 11,-0.4 41,-0.0 -2,-0.3 -2,-0.0 -0.949 11.8-130.3-118.6 139.7 36.6 41.4 -6.4 67 68 A K S S+ 0 0 58 -2,-0.4 44,-0.1 11,-0.1 10,-0.1 -0.103 73.3 53.4 -66.5 172.9 34.1 40.3 -9.1 68 69 A V S S- 0 0 45 42,-0.1 3,-0.1 10,-0.1 -2,-0.1 0.593 79.3-112.8 68.1 140.2 34.1 42.5 -12.3 69 70 A P S S- 0 0 72 0, 0.0 2,-0.3 0, 0.0 11,-0.2 0.993 88.3 -13.9 -63.9 -69.0 37.0 43.5 -14.6 70 71 A K S S+ 0 0 136 7,-0.1 2,-0.3 10,-0.1 192,-0.2 -0.955 78.2 120.5-140.0 156.1 37.1 47.2 -13.9 71 72 A G B -J 261 0C 15 190,-2.7 190,-2.9 -2,-0.3 2,-0.9 -0.990 57.7 -51.9 174.1-178.7 34.9 49.8 -12.3 72 73 A A S S+ 0 0 47 -2,-0.3 188,-0.1 188,-0.2 187,-0.0 -0.798 70.2 120.2 -86.6 89.2 33.9 52.6 -9.9 73 74 A F - 0 0 45 -2,-0.9 2,-0.1 3,-0.1 3,-0.1 -0.559 51.7-148.4-162.3 77.0 34.5 51.2 -6.4 74 75 A T S S+ 0 0 0 1,-0.2 2,-0.5 184,-0.1 3,-0.1 -0.345 84.7 17.0 -51.9 119.4 37.0 53.4 -4.5 75 76 A G S S+ 0 0 12 1,-0.4 217,-0.4 -2,-0.1 -1,-0.2 -0.668 105.3 85.9 117.3 -76.1 38.9 51.0 -2.2 76 77 A E - 0 0 19 -2,-0.5 -1,-0.4 235,-0.1 2,-0.3 0.351 61.5-149.6 -46.5-174.6 38.2 47.5 -3.7 77 78 A I - 0 0 13 -3,-0.1 -11,-0.4 214,-0.1 184,-0.1 -0.962 10.3-118.8-165.2 153.0 40.3 45.9 -6.6 78 79 A S >> - 0 0 1 -2,-0.3 3,-1.5 -13,-0.1 4,-0.7 -0.721 22.7-124.5-101.1 147.3 39.9 43.5 -9.4 79 80 A P H 3> S+ 0 0 2 0, 0.0 4,-2.8 0, 0.0 8,-0.1 0.800 105.9 75.4 -57.1 -33.9 41.7 40.2 -9.8 80 81 A A H 3> S+ 0 0 35 1,-0.2 4,-3.1 -11,-0.2 5,-0.2 0.902 93.8 57.9 -46.4 -41.7 43.0 41.3 -13.2 81 82 A M H <> S+ 0 0 4 -3,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.953 107.0 39.9 -50.5 -67.3 45.3 43.5 -11.1 82 83 A I H X>S+ 0 0 5 -4,-0.7 5,-3.4 1,-0.2 4,-3.3 0.867 116.2 58.5 -53.3 -35.9 47.1 40.8 -9.0 83 84 A K H <5S+ 0 0 113 -4,-2.8 3,-0.3 3,-0.2 -2,-0.2 0.991 105.7 42.9 -55.5 -73.5 47.1 38.9 -12.2 84 85 A D H <5S+ 0 0 70 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.794 118.6 49.1 -41.8 -39.8 49.0 41.4 -14.3 85 86 A I H <5S- 0 0 18 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.908 128.1 -84.6 -69.6 -50.5 51.4 41.9 -11.4 86 87 A G T <5S+ 0 0 27 -4,-3.3 2,-0.3 -3,-0.3 -26,-0.3 0.457 80.3 125.1 153.1 8.3 52.2 38.3 -10.5 87 88 A A < - 0 0 8 -5,-3.4 -1,-0.3 -8,-0.1 -26,-0.2 -0.724 27.8-178.0 -93.6 149.7 49.6 36.6 -8.2 88 89 A A + 0 0 59 -28,-1.8 33,-2.7 -2,-0.3 -27,-0.2 0.388 62.0 48.4-119.5 -13.2 47.9 33.4 -9.3 89 90 A W E -d 61 0A 29 -29,-1.7 -27,-0.8 31,-0.2 2,-0.2 -0.574 55.4-163.4-122.2-174.7 45.5 32.7 -6.4 90 91 A V E -d 62 0A 0 31,-0.3 33,-2.5 -29,-0.3 2,-0.5 -0.767 9.3-150.2-173.9 124.8 42.8 34.5 -4.4 91 92 A I E +de 63 123A 11 -29,-2.9 -27,-3.3 -2,-0.2 2,-0.3 -0.877 27.4 163.6-103.1 131.8 41.2 33.6 -1.0 92 93 A L E + e 0 124A 2 31,-3.0 33,-2.7 -2,-0.5 -2,-0.0 -0.964 45.6 50.9-143.1 164.4 37.6 34.7 -0.4 93 94 A G + 0 0 0 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.769 67.3 173.6 84.0 18.5 34.7 34.0 1.9 94 95 A H >> - 0 0 4 -3,-0.1 4,-2.6 1,-0.1 3,-0.8 -0.494 43.7-124.0 -68.7 123.1 36.9 34.4 5.1 95 96 A S H 3> S+ 0 0 5 -2,-0.3 4,-3.4 1,-0.3 5,-0.1 0.753 116.2 56.2 -28.5 -45.2 34.8 34.2 8.3 96 97 A E H 3> S+ 0 0 23 2,-0.2 4,-3.1 1,-0.2 5,-0.4 0.931 109.1 42.2 -53.9 -60.8 36.5 37.7 8.9 97 98 A R H <>>S+ 0 0 8 -3,-0.8 4,-1.7 1,-0.2 5,-0.8 0.928 115.8 54.2 -53.8 -49.3 35.2 39.2 5.6 98 99 A R H X5S+ 0 0 30 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.929 117.8 32.0 -46.6 -61.2 31.9 37.4 6.4 99 100 A H H <5S+ 0 0 111 -4,-3.4 -2,-0.2 -5,-0.2 -1,-0.2 0.867 125.4 36.6 -66.1 -51.4 31.5 39.0 9.9 100 101 A V H <5S+ 0 0 64 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.1 0.802 126.6 28.0 -80.1 -37.2 33.1 42.4 9.6 101 102 A F H <5S- 0 0 52 -4,-1.7 249,-0.2 -5,-0.4 -3,-0.2 0.535 95.9-125.8-102.4 -13.3 32.2 43.7 6.0 102 103 A G << + 0 0 54 -5,-0.8 -4,-0.2 -4,-0.7 -3,-0.1 0.364 43.0 172.5 79.1 4.2 29.0 41.8 5.6 103 104 A E - 0 0 23 -6,-0.7 2,-0.3 1,-0.1 -1,-0.1 0.068 24.4-133.3 -31.2 159.7 30.1 40.2 2.3 104 105 A S > - 0 0 44 1,-0.1 4,-3.4 0, 0.0 3,-0.2 -0.782 19.7-111.5-125.5 168.9 27.5 37.6 1.2 105 106 A D H > S+ 0 0 60 -2,-0.3 4,-3.2 1,-0.3 5,-0.1 0.928 124.9 54.0 -57.9 -38.9 27.2 34.0 -0.0 106 107 A E H > S+ 0 0 137 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.829 108.7 47.4 -58.9 -41.0 26.1 35.7 -3.2 107 108 A L H > S+ 0 0 31 2,-0.2 4,-3.2 -3,-0.2 -2,-0.2 0.928 109.8 51.5 -65.2 -56.5 29.2 37.8 -3.2 108 109 A I H X S+ 0 0 1 -4,-3.4 4,-2.9 1,-0.2 -2,-0.2 0.944 112.3 49.6 -45.7 -55.1 31.5 34.8 -2.5 109 110 A G H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.911 111.3 44.5 -50.5 -56.6 29.8 33.1 -5.4 110 111 A Q H X S+ 0 0 71 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.943 114.9 52.1 -55.6 -48.8 30.1 36.0 -7.9 111 112 A K H X S+ 0 0 0 -4,-3.2 4,-2.8 2,-0.2 -2,-0.2 0.931 109.6 47.1 -46.5 -64.3 33.7 36.4 -6.8 112 113 A V H X S+ 0 0 3 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.905 112.7 50.7 -42.0 -60.4 34.6 32.8 -7.3 113 114 A A H X S+ 0 0 31 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.921 111.0 45.9 -49.8 -58.5 33.0 32.7 -10.7 114 115 A H H X S+ 0 0 32 -4,-2.8 4,-2.9 1,-0.2 6,-0.2 0.958 112.4 52.0 -52.9 -55.2 34.8 35.8 -12.0 115 116 A A H <>S+ 0 0 0 -4,-2.8 5,-3.9 -5,-0.2 -1,-0.2 0.882 113.8 42.8 -45.3 -51.3 38.2 34.6 -10.7 116 117 A L H ><5S+ 0 0 11 -4,-2.6 3,-3.4 3,-0.2 -1,-0.2 0.972 111.6 53.2 -62.4 -56.7 37.8 31.2 -12.4 117 118 A A H 3<5S+ 0 0 94 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.863 113.2 47.8 -44.8 -42.2 36.5 32.8 -15.7 118 119 A E T 3<5S- 0 0 55 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.135 124.3-102.4 -87.4 16.2 39.6 34.9 -15.5 119 120 A G T < 5S+ 0 0 57 -3,-3.4 2,-0.4 1,-0.2 -3,-0.2 0.606 71.1 144.7 74.0 14.6 42.0 32.1 -14.8 120 121 A L < - 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0 0 46 -5,-0.6 4,-2.4 1,-0.2 -1,-0.2 -0.777 33.9 -75.6 150.5 167.7 35.5 77.9 15.4 445 198 B D H > S+ 0 0 99 -2,-0.2 4,-2.6 2,-0.2 5,-0.3 0.981 121.8 54.0 -54.4 -64.8 36.3 80.7 13.0 446 199 B A H > S+ 0 0 64 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.876 114.0 44.1 -33.3 -61.3 40.0 79.8 12.3 447 200 B V H > S+ 0 0 18 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.940 108.9 53.0 -45.9 -72.7 38.9 76.3 11.3 448 201 B A H < S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.787 117.1 43.8 -33.7 -51.0 35.9 77.3 9.2 449 202 B V H < S+ 0 0 78 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.968 119.6 35.6 -63.7 -64.9 38.4 79.6 7.3 450 203 B Q H < S+ 0 0 104 -4,-3.2 -2,-0.2 -5,-0.3 -3,-0.2 0.870 91.8 104.3 -58.6 -44.2 41.4 77.4 6.9 451 204 B S < - 0 0 1 -4,-3.1 2,-0.5 -5,-0.2 -43,-0.1 -0.260 68.3-130.2 -46.0 121.6 39.6 74.1 6.3 452 205 B R E -q 408 0D 19 -45,-0.5 -43,-2.6 -48,-0.3 2,-0.6 -0.679 20.0-171.6 -87.6 119.0 39.5 72.8 2.7 453 206 B I E -q 409 0D 1 -2,-0.5 21,-1.4 -45,-0.2 2,-0.3 -0.944 11.9-172.3-107.8 124.5 36.3 71.8 1.2 454 207 B I E -q 410 0D 0 -45,-2.8 -43,-2.9 -2,-0.6 2,-0.3 -0.894 26.1-111.9-120.9 152.0 36.6 70.1 -2.2 455 208 B Y E -qr 411 476D 13 20,-1.6 22,-3.4 -2,-0.3 -43,-0.2 -0.628 19.4-163.3 -78.4 127.5 34.0 68.9 -4.8 456 209 B G + 0 0 14 -45,-3.0 2,-0.1 -2,-0.3 -1,-0.1 -0.230 55.8 92.4-108.8 43.5 33.7 65.1 -5.2 457 210 B G S S- 0 0 17 -45,-0.1 22,-0.4 22,-0.0 20,-0.1 -0.394 84.7 -50.1-119.4-160.5 31.9 65.1 -8.6 458 211 B S + 0 0 103 -2,-0.1 21,-0.4 20,-0.1 23,-0.1 0.843 57.3 170.1 -36.9-117.9 32.3 65.0 -12.4 459 212 B V + 0 0 7 19,-0.1 22,-0.3 22,-0.1 2,-0.3 0.637 3.7 161.4 99.8 112.7 34.8 67.6 -13.6 460 213 B T >> - 0 0 43 30,-0.1 4,-3.0 29,-0.0 3,-2.0 -0.895 56.1 -82.9-147.5 176.3 36.3 68.1 -17.1 461 214 B G H 3> S+ 0 0 27 1,-0.3 4,-0.7 -2,-0.3 26,-0.0 0.812 125.6 53.0 -51.6 -36.8 38.1 70.8 -19.1 462 215 B G H 34 S+ 0 0 49 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.371 119.7 31.3 -78.7 -5.6 34.8 72.4 -20.1 463 216 B N H <> S+ 0 0 78 -3,-2.0 4,-3.2 3,-0.1 5,-0.2 0.536 103.0 85.0-121.5 -31.9 33.4 72.7 -16.5 464 217 B C H X S+ 0 0 0 -4,-3.0 4,-3.2 2,-0.2 5,-0.3 0.889 90.0 39.8 -35.0 -81.5 36.8 73.1 -14.8 465 218 B K H X S+ 0 0 112 -4,-0.7 4,-3.0 28,-0.5 5,-0.2 0.916 120.0 48.2 -40.7 -60.1 37.5 76.9 -15.1 466 219 B E H > S+ 0 0 98 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.925 116.1 41.8 -42.7 -66.6 33.9 77.7 -14.3 467 220 B L H < S+ 0 0 13 -4,-3.2 3,-0.3 2,-0.2 6,-0.2 0.938 115.5 49.2 -47.8 -61.8 33.6 75.4 -11.3 468 221 B A H < S+ 0 0 13 -4,-3.2 3,-0.4 1,-0.3 5,-0.3 0.864 109.7 50.2 -49.3 -48.3 37.0 76.4 -10.0 469 222 B S H < S+ 0 0 85 -4,-3.0 2,-7.2 -5,-0.3 -1,-0.3 0.872 79.4 111.6 -56.2 -42.2 36.3 80.1 -10.3 470 223 B Q S < S- 0 0 42 -4,-2.1 2,-1.8 -3,-0.3 -1,-0.2 0.310 78.6-136.7 -12.4 -10.2 33.0 79.2 -8.4 471 224 B H S S+ 0 0 141 -2,-7.2 -1,-0.2 -3,-0.4 -3,-0.1 -0.300 90.0 53.6 82.6 -66.1 34.4 81.1 -5.5 472 225 B D S S+ 0 0 30 -2,-1.8 2,-0.4 2,-0.0 -1,-0.2 0.314 92.9 97.7 -91.8 5.5 33.7 79.0 -2.4 473 226 B V - 0 0 10 -5,-0.3 -2,-0.2 -6,-0.2 -19,-0.1 -0.835 50.2-171.2-106.0 133.4 35.4 76.0 -4.0 474 227 B D - 0 0 14 -21,-1.4 -220,-3.3 -2,-0.4 2,-0.4 0.255 57.4 -80.0-102.6 7.6 39.0 74.7 -3.5 475 228 B G E -l 254 0D 0 -222,-0.2 -20,-1.6 -22,-0.2 2,-0.3 -0.958 56.7 -43.9 140.4-157.2 39.2 72.0 -6.2 476 229 B F E -lr 255 455D 0 -222,-1.0 -220,-3.3 -2,-0.4 2,-0.8 -0.978 5.4-159.6-137.9 143.2 38.3 68.5 -7.1 477 230 B L E -l 256 0D 9 -22,-3.4 2,-0.2 -2,-0.3 -220,-0.2 -0.861 48.0-167.4-112.0 84.9 38.1 64.9 -5.9 478 231 B V E -l 257 0D 1 -222,-2.1 -220,-3.5 -2,-0.8 -20,-0.1 -0.600 24.2-179.2 -88.6 139.9 38.0 63.5 -9.5 479 232 B G S > S+ 0 0 14 -21,-0.4 3,-2.7 -22,-0.4 4,-0.2 0.494 75.5 15.8 -98.3-116.5 37.3 60.1 -10.9 480 233 B G G > S+ 0 0 57 1,-0.3 3,-2.4 2,-0.2 4,-0.4 0.734 117.6 67.6 -19.3 -67.2 37.4 59.3 -14.6 481 234 B A G > S+ 0 0 16 1,-0.3 6,-1.4 -22,-0.3 3,-0.7 0.725 90.3 61.5 -26.8 -50.0 39.3 62.4 -15.4 482 235 B S G < S+ 0 0 0 -3,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.326 87.8 72.1 -70.4 7.0 42.5 61.3 -13.6 483 236 B L G < S+ 0 0 43 -3,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.854 106.2 24.8 -87.1 -44.2 43.0 58.2 -15.8 484 237 B K S X S- 0 0 126 -3,-0.7 3,-3.2 -4,-0.4 -1,-0.2 -0.819 100.8 -80.8-121.5 164.9 44.1 60.3 -18.9 485 238 B P T 3> S+ 0 0 56 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.543 108.3 91.2 -34.1 -18.6 45.7 63.7 -19.8 486 239 B E H 3> S+ 0 0 85 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.971 84.5 57.1 -47.8 -48.7 42.2 65.1 -19.4 487 240 B F H <> S+ 0 0 4 -3,-3.2 4,-3.2 -6,-1.4 5,-0.2 0.940 110.4 39.4 -47.1 -58.7 43.5 65.6 -15.8 488 241 B V H > S+ 0 0 17 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.935 110.9 56.8 -58.0 -51.1 46.5 67.7 -16.9 489 242 B D H X S+ 0 0 110 -4,-3.3 4,-0.9 2,-0.2 3,-0.4 0.935 114.8 43.0 -39.3 -59.9 44.5 69.6 -19.6 490 243 B I H >< S+ 0 0 1 -4,-3.0 3,-3.0 -5,-0.3 -2,-0.2 0.960 108.3 56.5 -47.6 -70.8 42.3 70.5 -16.5 491 244 B I H 3< S+ 0 0 6 -4,-3.2 3,-0.3 1,-0.3 -210,-0.2 0.792 123.2 27.8 -35.7 -38.2 45.2 71.2 -14.2 492 245 B N H 3< S+ 0 0 40 -4,-3.0 -1,-0.3 -3,-0.4 -2,-0.3 0.515 112.4 64.5-110.4 2.0 46.5 73.8 -16.6 493 246 B A S << S+ 0 0 37 -3,-3.0 -28,-0.5 -4,-0.9 -2,-0.2 -0.264 86.4 86.1-107.6 34.0 43.0 74.7 -18.2 494 247 B K 0 0 68 -3,-0.3 -1,-0.2 -5,-0.2 -2,-0.1 0.851 360.0 360.0 -99.2 -43.6 42.3 75.9 -14.7 495 248 B H 0 0 174 -3,-0.2 -26,-0.1 -4,-0.2 -3,-0.0 0.637 360.0 360.0 -72.7 360.0 43.8 79.5 -15.0