==== 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 ISOMERASE 30-MAR-04 1SW3 . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR I.KURSULA,M.SALIN,J.SUN,B.V.NORLEDGE,A.M.HAAPALAINEN,N.S.SAM . 494 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19616.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 68.8 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 . 36 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 8 4 2 0 0 0 0 0 6 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 3 5 2 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 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 2 A A 0 0 125 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.2 8.4 4.0 3.1 2 3 A P - 0 0 123 0, 0.0 2,-0.5 0, 0.0 200,-0.0 -0.514 360.0-117.3 -71.7 142.5 11.0 6.6 2.2 3 4 A R - 0 0 67 -2,-0.2 2,-0.3 198,-0.1 200,-0.1 -0.720 29.5-115.7 -79.6 127.1 14.0 6.7 4.6 4 5 A K - 0 0 107 -2,-0.5 32,-0.1 198,-0.1 -1,-0.1 -0.478 33.7-110.7 -63.6 123.6 14.3 10.0 6.4 5 6 A F E -a 36 0A 16 30,-0.7 32,-3.0 -2,-0.3 2,-0.4 -0.353 37.8-155.7 -55.5 137.6 17.6 11.8 5.3 6 7 A F E -ab 37 227A 0 220,-2.3 222,-1.7 30,-0.2 2,-0.5 -0.978 16.5-176.9-131.4 121.5 20.0 11.8 8.3 7 8 A V E -ab 38 228A 0 30,-2.9 32,-2.0 -2,-0.4 2,-0.4 -0.969 6.4-174.8-122.1 117.3 22.8 14.2 9.0 8 9 A G E -ab 39 229A 2 220,-2.9 222,-2.8 -2,-0.5 2,-0.5 -0.883 12.0-151.6-107.2 142.2 25.1 13.8 12.0 9 10 A G E -ab 40 230A 2 30,-2.6 32,-3.8 -2,-0.4 2,-0.7 -0.962 3.7-161.5-111.4 127.5 27.8 16.1 13.1 10 11 A N E -a 41 0A 2 220,-3.0 224,-0.2 -2,-0.5 32,-0.1 -0.922 6.3-174.2-109.8 103.2 30.7 14.7 15.0 11 12 A W - 0 0 1 30,-2.2 -1,-0.1 -2,-0.7 31,-0.1 0.613 21.2-169.9 -70.8 -12.7 32.5 17.5 16.8 12 13 A K - 0 0 18 29,-0.4 2,-1.3 1,-0.2 -1,-0.2 -0.208 61.5 -21.1 54.3-142.7 35.2 15.1 17.9 13 14 A M B S+I 319 0B 0 306,-2.0 306,-2.0 312,-0.1 2,-0.3 -0.570 109.8 112.0 -99.2 73.3 37.6 16.7 20.5 14 15 A N + 0 0 21 -2,-1.3 2,-0.1 304,-0.2 304,-0.1 -0.992 42.9 35.9-144.4 144.8 36.9 20.3 19.7 15 16 A G - 0 0 19 -2,-0.3 2,-0.3 27,-0.1 3,-0.0 -0.183 44.0-135.7 110.5 163.5 35.2 23.3 21.2 16 17 A D > - 0 0 63 -2,-0.1 4,-2.9 316,-0.0 5,-0.4 -0.876 46.8 -85.5-142.0 179.0 34.6 25.1 24.4 17 18 A K H > S+ 0 0 60 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.875 126.5 48.4 -58.0 -38.5 31.5 26.7 25.9 18 19 A K H > S+ 0 0 167 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.972 117.2 38.3 -66.0 -53.7 32.1 29.9 23.9 19 20 A S H > S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.888 119.2 47.5 -71.5 -34.8 32.8 28.4 20.5 20 21 A L H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.900 107.9 56.9 -73.6 -35.9 30.1 25.7 20.9 21 22 A G H X S+ 0 0 26 -4,-1.9 4,-2.3 -5,-0.4 -2,-0.2 0.889 107.7 48.3 -56.1 -41.4 27.6 28.3 22.1 22 23 A E H X S+ 0 0 118 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.917 111.8 48.8 -66.9 -45.5 28.1 30.3 18.9 23 24 A L H X S+ 0 0 22 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.908 113.0 47.5 -58.0 -46.8 27.7 27.2 16.7 24 25 A I H X S+ 0 0 3 -4,-2.6 4,-2.6 2,-0.2 31,-0.2 0.908 108.7 54.4 -63.9 -42.1 24.6 26.2 18.5 25 26 A H H X S+ 0 0 149 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.923 110.3 48.3 -58.7 -42.5 23.1 29.7 18.2 26 27 A T H X S+ 0 0 69 -4,-2.1 4,-0.6 1,-0.2 3,-0.4 0.916 111.7 48.1 -63.8 -48.0 23.7 29.5 14.5 27 28 A L H >< S+ 0 0 6 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.875 108.8 53.5 -62.7 -39.8 22.0 26.0 14.2 28 29 A N H 3< S+ 0 0 67 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.758 114.9 42.1 -65.7 -26.9 19.0 27.1 16.2 29 30 A G H 3< S+ 0 0 67 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.435 93.8 113.3 -98.1 -3.5 18.5 30.1 13.9 30 31 A A S << S- 0 0 18 -3,-0.7 2,-1.5 -4,-0.6 -3,-0.0 -0.349 76.2-115.3 -78.2 152.8 19.1 28.3 10.7 31 32 A K - 0 0 155 -2,-0.1 2,-0.5 213,-0.0 -1,-0.1 -0.655 48.3-179.3 -77.4 78.9 16.7 27.5 7.9 32 33 A L - 0 0 49 -2,-1.5 209,-0.1 -5,-0.1 208,-0.0 -0.779 31.3-109.6 -99.1 130.4 16.9 23.7 8.3 33 34 A S > - 0 0 20 -2,-0.5 3,-1.3 1,-0.1 -1,-0.1 -0.250 16.8-140.0 -53.4 131.6 14.9 21.4 6.1 34 35 A A T 3 S+ 0 0 69 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.720 99.6 63.0 -64.6 -24.6 12.0 19.7 7.9 35 36 A D T 3 S+ 0 0 112 2,-0.1 -30,-0.7 -31,-0.0 2,-0.5 0.369 88.2 86.5 -85.3 2.0 12.8 16.4 6.0 36 37 A T E < -a 5 0A 14 -3,-1.3 2,-0.6 -32,-0.1 -30,-0.2 -0.925 67.1-145.9-108.2 129.1 16.3 16.0 7.6 37 38 A E E -a 6 0A 57 -32,-3.0 -30,-2.9 -2,-0.5 2,-0.4 -0.807 24.5-162.7 -87.6 123.9 16.9 14.3 10.9 38 39 A V E +a 7 0A 8 -2,-0.6 21,-2.7 19,-0.4 2,-0.4 -0.918 14.1 177.8-118.2 134.8 19.8 16.1 12.5 39 40 A V E -ac 8 59A 2 -32,-2.0 -30,-2.6 -2,-0.4 2,-0.5 -0.999 14.6-152.6-136.9 134.3 22.1 14.9 15.4 40 41 A C E -ac 9 60A 1 19,-2.4 21,-2.6 -2,-0.4 2,-0.9 -0.951 8.2-149.8-110.6 126.9 25.1 16.7 17.0 41 42 A G E -ac 10 61A 1 -32,-3.8 -30,-2.2 -2,-0.5 -29,-0.4 -0.818 23.5-172.5-100.0 101.4 27.8 14.6 18.6 42 43 A A - 0 0 0 19,-1.3 21,-0.5 -2,-0.9 5,-0.1 -0.583 32.6 -93.9 -95.1 154.9 29.3 16.6 21.4 43 44 A P > - 0 0 1 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.356 44.2-112.6 -59.5 145.7 32.3 15.9 23.6 44 45 A S G > S+ 0 0 17 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.844 115.6 59.8 -54.1 -38.9 31.2 14.2 26.8 45 46 A I G 3 S+ 0 0 2 1,-0.3 251,-0.3 2,-0.1 -1,-0.3 0.710 112.7 39.3 -65.6 -19.8 32.1 17.1 29.0 46 47 A Y G <> S+ 0 0 0 -3,-1.8 4,-2.6 2,-0.1 -1,-0.3 0.212 83.2 102.3-110.9 9.9 29.6 19.3 27.0 47 48 A L H <> S+ 0 0 0 -3,-1.4 4,-2.5 -4,-0.3 5,-0.2 0.925 85.4 45.9 -61.0 -45.6 26.7 16.9 26.4 48 49 A D H > S+ 0 0 14 -4,-0.4 4,-2.2 245,-0.3 5,-0.2 0.957 114.3 48.0 -60.5 -54.5 24.6 18.5 29.1 49 50 A F H > S+ 0 0 24 -4,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.901 112.4 49.5 -51.3 -47.6 25.3 22.0 27.9 50 51 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.910 110.5 48.8 -65.7 -41.2 24.6 21.1 24.3 51 52 A R H < S+ 0 0 46 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.875 112.5 49.4 -67.2 -33.9 21.3 19.4 25.1 52 53 A Q H < S+ 0 0 124 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.869 119.3 36.8 -69.9 -35.9 20.2 22.4 27.2 53 54 A K H < S+ 0 0 113 -4,-2.0 2,-0.2 -5,-0.2 -2,-0.2 0.772 98.3 85.7 -92.8 -28.7 21.1 24.9 24.4 54 55 A L S < S- 0 0 8 -4,-2.5 -29,-0.1 -5,-0.2 6,-0.0 -0.517 88.9-100.7 -79.1 141.5 20.1 23.1 21.2 55 56 A D > - 0 0 79 -31,-0.2 3,-2.0 -2,-0.2 -1,-0.1 -0.272 33.9-115.3 -52.5 142.4 16.6 23.3 19.9 56 57 A A T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -4,-0.1 -2,-0.1 0.752 112.0 67.8 -54.5 -29.7 14.6 20.1 20.8 57 58 A K T 3 S+ 0 0 168 2,-0.1 2,-0.5 -20,-0.0 -19,-0.4 0.705 90.1 75.6 -67.5 -17.3 14.2 19.2 17.1 58 59 A I S < S- 0 0 7 -3,-2.0 -19,-0.2 -21,-0.1 2,-0.1 -0.844 80.9-139.8 -99.3 125.4 18.0 18.6 17.0 59 60 A G E -c 39 0A 14 -21,-2.7 -19,-2.4 -2,-0.5 2,-0.4 -0.422 8.1-139.5 -81.7 158.0 19.2 15.4 18.6 60 61 A V E -c 40 0A 0 -21,-0.2 28,-1.7 26,-0.2 29,-1.5 -0.972 16.9-167.3-120.9 135.5 22.3 15.0 20.7 61 62 A A E -cd 41 89A 1 -21,-2.6 -19,-1.3 -2,-0.4 29,-0.3 -0.955 18.7-130.3-123.2 142.4 24.7 12.1 20.6 62 63 A A E - d 0 90A 1 27,-2.3 29,-2.4 -2,-0.4 3,-0.1 -0.533 18.5-135.4 -74.9 155.8 27.6 10.9 22.8 63 64 A Q S S- 0 0 5 -21,-0.5 2,-0.3 1,-0.3 31,-0.2 0.524 80.2 -11.1 -93.9 -5.8 30.8 10.1 20.9 64 65 A N - 0 0 13 259,-0.1 2,-0.3 28,-0.1 -1,-0.3 -0.922 59.8-174.7-177.4 158.6 31.3 6.8 22.8 65 66 A C - 0 0 1 -2,-0.3 13,-0.2 -3,-0.1 2,-0.1 -0.952 25.3-109.3-153.2 176.4 30.1 4.8 25.8 66 67 A Y - 0 0 16 11,-2.5 -2,-0.0 -2,-0.3 7,-0.0 -0.440 31.1-107.9-106.4-178.8 30.9 1.7 27.7 67 68 A K S S+ 0 0 66 -2,-0.1 11,-0.1 11,-0.1 3,-0.0 0.218 90.8 51.3-103.6 8.6 29.1 -1.7 27.9 68 69 A V S S- 0 0 50 1,-0.1 -2,-0.2 3,-0.0 12,-0.1 -0.931 80.5-117.4-137.5 162.1 27.5 -1.8 31.4 69 70 A P S S- 0 0 62 0, 0.0 2,-0.3 0, 0.0 9,-0.2 0.820 87.3 -12.4 -72.1 -30.0 25.4 0.8 33.3 70 71 A K S S+ 0 0 148 192,-0.1 2,-0.3 7,-0.1 192,-0.2 -0.976 76.7 98.8-160.8 165.3 27.9 1.4 36.2 71 72 A G B S-J 261 0C 22 190,-1.9 190,-1.8 -2,-0.3 2,-1.8 -0.927 74.2 -27.6 145.7-162.7 31.0 0.1 37.8 72 73 A A S S+ 0 0 44 -2,-0.3 2,-0.2 188,-0.2 188,-0.1 -0.542 78.2 124.4 -93.0 70.8 34.7 0.5 38.2 73 74 A F > - 0 0 46 -2,-1.8 3,-2.4 3,-0.1 -1,-0.1 -0.660 47.7-156.8-130.7 70.1 35.6 2.0 34.9 74 75 A T T 3 S+ 0 0 0 1,-0.3 3,-0.1 -2,-0.2 -2,-0.1 -0.273 79.2 21.2 -49.4 126.7 37.4 5.2 35.6 75 76 A G T 3 S+ 0 0 23 1,-0.3 -1,-0.3 185,-0.1 2,-0.2 0.182 103.2 106.1 98.0 -10.9 37.2 7.5 32.6 76 77 A E < - 0 0 11 -3,-2.4 2,-0.3 235,-0.1 -1,-0.3 -0.590 50.6-153.2-100.7 159.1 34.1 5.9 31.0 77 78 A I - 0 0 11 -2,-0.2 -11,-2.5 -3,-0.1 -7,-0.1 -0.925 12.9-142.0-124.8 156.6 30.4 6.8 30.7 78 79 A S >> - 0 0 0 -2,-0.3 4,-1.8 -13,-0.2 3,-0.7 -0.722 28.3-107.1-114.6 160.7 27.4 4.6 30.3 79 80 A P H 3> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.868 118.1 61.1 -51.4 -37.9 24.1 4.7 28.3 80 81 A A H 3> S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.874 106.1 46.1 -61.3 -37.6 22.2 5.4 31.5 81 82 A M H <> S+ 0 0 4 -3,-0.7 4,-1.3 2,-0.2 -1,-0.2 0.898 111.4 51.3 -68.2 -41.6 24.2 8.6 32.0 82 83 A I H <>S+ 0 0 0 -4,-1.8 5,-1.9 1,-0.2 4,-0.4 0.926 112.8 46.3 -60.7 -45.7 23.7 9.7 28.4 83 84 A K H ><5S+ 0 0 101 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.895 105.1 62.3 -61.8 -39.7 20.0 9.2 28.8 84 85 A D H 3<5S+ 0 0 62 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.836 105.2 44.6 -59.1 -37.5 20.0 11.0 32.1 85 86 A I T 3<5S- 0 0 12 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.460 123.6-103.7 -89.7 -1.6 21.2 14.3 30.5 86 87 A G T < 5S+ 0 0 40 -3,-1.5 2,-0.2 -4,-0.4 -26,-0.2 0.577 71.1 142.0 93.9 13.1 18.6 13.8 27.6 87 88 A A < - 0 0 3 -5,-1.9 -1,-0.3 1,-0.1 -26,-0.2 -0.588 31.1-166.8 -79.1 146.0 20.9 12.7 24.7 88 89 A A + 0 0 53 -28,-1.7 33,-2.9 -2,-0.2 2,-0.3 0.452 59.9 51.5-116.0 -3.0 19.2 10.0 22.5 89 90 A W E -de 61 121A 20 -29,-1.5 -27,-2.3 31,-0.2 2,-0.3 -0.908 52.0-164.3-136.8 154.3 22.1 8.7 20.4 90 91 A V E -de 62 122A 0 31,-1.5 33,-2.4 -2,-0.3 2,-0.6 -0.989 19.5-136.0-135.1 144.6 25.7 7.3 20.7 91 92 A I E - e 0 123A 3 -29,-2.4 2,-0.4 -2,-0.3 33,-0.2 -0.861 30.7-174.8 -94.5 125.0 28.3 6.9 18.0 92 93 A L E + e 0 124A 1 31,-2.4 33,-2.5 -2,-0.6 -28,-0.1 -0.944 55.6 16.8-125.9 144.1 30.0 3.5 18.3 93 94 A G S S+ 0 0 0 -2,-0.4 -1,-0.1 1,-0.2 5,-0.1 0.712 73.9 175.3 75.8 20.6 32.9 1.9 16.4 94 95 A H >> - 0 0 2 -31,-0.2 4,-2.1 -3,-0.1 3,-0.8 -0.277 43.3-113.1 -57.7 145.6 34.2 5.2 15.1 95 96 A S H 3> S+ 0 0 16 1,-0.3 4,-2.9 2,-0.2 5,-0.4 0.825 116.7 56.2 -46.1 -42.7 37.5 4.8 13.1 96 97 A E H 3>>S+ 0 0 15 1,-0.2 4,-1.9 2,-0.2 5,-1.4 0.890 108.1 47.8 -64.2 -35.9 39.4 6.8 15.8 97 98 A R H <45S+ 0 0 7 -3,-0.8 6,-2.4 3,-0.2 -2,-0.2 0.888 115.7 45.3 -71.4 -37.8 38.2 4.4 18.5 98 99 A R H <5S+ 0 0 23 -4,-2.1 4,-0.3 4,-0.2 -2,-0.2 0.930 126.8 25.1 -67.0 -47.3 39.1 1.3 16.4 99 100 A H H <5S+ 0 0 80 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.793 130.2 34.3-101.6 -29.2 42.6 2.5 15.2 100 101 A V T <5S+ 0 0 71 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.1 0.877 131.6 28.7 -88.5 -42.7 43.8 4.9 17.8 101 102 A F S - 0 0 58 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.406 22.0-109.8 -90.3 161.8 37.8 -4.5 18.7 105 106 A D H > S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.863 119.9 56.3 -55.3 -37.0 34.7 -5.7 16.8 106 107 A E H > S+ 0 0 143 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.943 109.1 44.6 -63.2 -46.7 33.9 -7.9 19.8 107 108 A L H > S+ 0 0 32 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.904 112.3 51.6 -63.5 -42.5 33.9 -4.9 22.2 108 109 A I H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.919 107.6 53.3 -64.7 -41.9 31.9 -2.7 19.8 109 110 A G H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.894 109.5 48.3 -57.3 -42.8 29.2 -5.4 19.4 110 111 A Q H X S+ 0 0 67 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.899 111.0 50.4 -66.3 -40.0 28.8 -5.5 23.2 111 112 A K H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.941 110.2 51.0 -62.5 -46.5 28.5 -1.7 23.4 112 113 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.923 110.3 48.0 -55.6 -48.3 25.9 -1.7 20.6 113 114 A A H X S+ 0 0 37 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.929 115.1 46.1 -63.0 -42.4 23.8 -4.4 22.4 114 115 A H H X S+ 0 0 29 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.934 111.0 50.5 -66.7 -45.6 24.0 -2.5 25.7 115 116 A A H <>S+ 0 0 0 -4,-3.2 5,-2.3 1,-0.2 4,-0.3 0.911 113.0 47.1 -58.3 -44.8 23.2 0.9 24.2 116 117 A L H ><5S+ 0 0 32 -4,-2.3 3,-1.3 -5,-0.2 -1,-0.2 0.875 107.8 55.3 -66.3 -37.6 20.1 -0.5 22.5 117 118 A A H 3<5S+ 0 0 79 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.830 106.9 52.3 -64.4 -31.9 18.9 -2.3 25.6 118 119 A E T 3<5S- 0 0 52 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.475 123.9-105.5 -83.6 -3.9 19.0 1.0 27.4 119 120 A G T < 5S+ 0 0 39 -3,-1.3 -3,-0.2 1,-0.3 2,-0.2 0.593 73.1 136.1 92.7 14.8 16.9 2.7 24.7 120 121 A L < - 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0 0 50 -2,-0.3 4,-1.3 20,-0.1 3,-0.4 -0.834 50.9-100.1-129.3 170.3 37.0 2.9 54.4 461 214 B G T 4 S+ 0 0 23 -2,-0.3 4,-0.4 1,-0.2 3,-0.1 0.839 121.5 56.2 -55.2 -35.4 35.9 4.8 57.4 462 215 B G T 4 S+ 0 0 78 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.775 117.3 28.5 -71.6 -29.0 36.9 1.8 59.5 463 216 B N T > S+ 0 0 39 -3,-0.4 4,-1.3 1,-0.1 -1,-0.2 0.475 94.9 88.8-112.8 -2.2 40.6 1.5 58.3 464 217 B C H X S+ 0 0 2 -4,-1.3 4,-2.7 1,-0.2 5,-0.2 0.828 78.5 60.9 -71.3 -31.2 41.6 5.0 57.4 465 218 B K H > S+ 0 0 113 -4,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.910 106.5 43.7 -69.1 -42.6 42.9 6.3 60.8 466 219 B E H 4 S+ 0 0 119 2,-0.2 4,-0.3 1,-0.2 3,-0.2 0.894 115.1 50.7 -69.4 -38.4 45.7 3.7 61.2 467 220 B L H >< S+ 0 0 3 -4,-1.3 3,-1.7 1,-0.2 -2,-0.2 0.946 109.3 50.8 -57.8 -47.5 46.7 4.2 57.6 468 221 B A H 3< S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.746 98.1 67.1 -66.9 -23.3 46.8 8.0 58.0 469 222 B S T 3< S+ 0 0 62 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.583 76.1 106.3 -74.9 -10.6 49.0 7.8 61.1 470 223 B Q S X S- 0 0 44 -3,-1.7 3,-1.2 -4,-0.3 -44,-0.0 -0.481 78.1-126.0 -72.5 144.0 51.9 6.4 59.0 471 224 B H T 3 S+ 0 0 164 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.724 103.4 38.2 -72.0 -21.8 54.6 9.0 58.5 472 225 B D T 3 S+ 0 0 26 -20,-0.0 2,-0.7 2,-0.0 -1,-0.3 0.295 88.7 99.9-111.7 6.1 54.8 8.9 54.7 473 226 B V < - 0 0 4 -3,-1.2 -19,-0.2 -6,-0.2 3,-0.1 -0.863 46.2-179.8 -95.8 112.1 51.1 8.5 53.9 474 227 B D - 0 0 12 -21,-2.5 -220,-2.1 -2,-0.7 2,-0.3 0.240 55.9 -55.4-100.9 8.8 49.9 11.9 53.0 475 228 B G E -l 254 0D 0 -22,-0.3 -20,-2.3 -222,-0.2 2,-0.3 -0.959 61.7 -79.8 146.1-162.5 46.2 11.1 52.3 476 229 B F E -lr 255 455D 0 -222,-1.7 -220,-2.5 -2,-0.3 2,-0.5 -0.963 5.3-143.5-140.4 153.0 44.0 8.8 50.2 477 230 B L E -lr 256 456D 2 -22,-1.7 -20,-0.7 -2,-0.3 2,-0.5 -0.993 34.1-164.5-111.3 122.9 42.4 8.1 46.8 478 231 B V E +l 257 0D 0 -222,-2.6 -220,-3.1 -2,-0.5 -22,-0.1 -0.932 20.4 165.7-120.1 123.1 39.0 6.7 47.6 479 232 B G S > S+ 0 0 18 -2,-0.5 3,-1.8 -222,-0.2 4,-0.4 0.780 74.9 21.2 -96.3 -92.0 36.8 4.8 45.1 480 233 B G G > S+ 0 0 56 1,-0.3 3,-1.2 2,-0.2 -20,-0.1 0.845 125.1 51.1 -50.9 -43.7 33.9 2.8 46.5 481 234 B A G > S+ 0 0 9 -22,-0.4 3,-1.5 1,-0.2 6,-0.4 0.674 92.8 75.6 -73.4 -12.7 33.7 4.7 49.8 482 235 B S G < S+ 0 0 0 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.642 91.3 57.1 -72.9 -13.0 33.6 8.1 48.1 483 236 B L G < S+ 0 0 64 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.362 101.2 72.6 -91.6 3.1 30.0 7.4 47.1 484 237 B K S X S- 0 0 113 -3,-1.5 3,-1.9 1,-0.1 4,-0.2 -0.783 91.9-110.7-118.0 157.4 29.0 6.9 50.8 485 238 B P T > S+ 0 0 101 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.800 111.1 75.1 -50.8 -32.9 28.5 9.3 53.8 486 239 B E T 3> S+ 0 0 55 1,-0.3 4,-1.5 2,-0.2 3,-0.4 0.592 71.7 82.6 -62.5 -11.9 31.6 7.7 55.3 487 240 B F H <> S+ 0 0 0 -3,-1.9 4,-2.2 -6,-0.4 -1,-0.3 0.864 85.5 60.2 -54.2 -37.6 33.7 9.7 52.8 488 241 B V H <> S+ 0 0 24 -3,-2.0 4,-1.8 -4,-0.2 -1,-0.2 0.899 101.8 50.5 -57.0 -42.9 33.3 12.5 55.4 489 242 B D H 4 S+ 0 0 96 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.2 0.837 109.1 52.1 -68.1 -32.0 35.1 10.4 58.0 490 243 B I H >< S+ 0 0 0 -4,-1.5 3,-1.6 1,-0.2 -2,-0.2 0.905 107.2 50.8 -69.7 -43.0 38.0 9.7 55.6 491 244 B I H 3< S+ 0 0 0 -4,-2.2 3,-0.4 1,-0.3 -2,-0.2 0.886 114.9 45.8 -56.4 -39.6 38.4 13.4 54.9 492 245 B N T >< S+ 0 0 33 -4,-1.8 3,-1.8 -5,-0.2 -1,-0.3 0.076 76.1 124.5 -90.6 24.5 38.5 13.8 58.7 493 246 B A T < S+ 0 0 5 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.748 71.4 51.9 -61.3 -29.4 40.9 10.9 59.3 494 247 B K T 3 0 0 112 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.215 360.0 360.0 -89.2 15.9 43.5 13.0 61.2 495 248 B H < 0 0 125 -3,-1.8 -3,-0.0 -214,-0.0 -30,-0.0 -0.709 360.0 360.0-140.4 360.0 40.9 14.4 63.7