==== 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 24-MAR-04 1SSG . 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) . 20075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 70.4 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 . 37 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 31.4 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 5 7 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 1 7 4 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 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 0 134 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -77.2 -30.3 36.6 63.7 2 3 A P - 0 0 120 0, 0.0 2,-0.3 0, 0.0 200,-0.1 0.067 360.0-111.5 -49.5 127.3 -28.4 37.7 66.8 3 4 A R - 0 0 48 198,-0.3 2,-0.2 1,-0.1 200,-0.1 -0.414 35.7-121.3 -62.0 120.3 -24.8 38.6 66.1 4 5 A K - 0 0 107 -2,-0.3 32,-0.1 198,-0.2 -1,-0.1 -0.435 28.9-103.6 -69.8 132.5 -22.6 35.9 67.7 5 6 A F - 0 0 8 30,-0.4 32,-3.1 -2,-0.2 2,-0.4 -0.317 40.5-163.1 -60.6 128.8 -20.1 37.2 70.2 6 7 A F E +ab 37 227A 0 220,-2.3 222,-1.4 30,-0.2 2,-0.5 -0.972 13.4 179.6-123.9 124.8 -16.6 37.2 68.7 7 8 A V E -ab 38 228A 0 30,-2.4 32,-1.5 -2,-0.4 2,-0.4 -0.972 5.6-171.8-126.9 113.6 -13.4 37.5 70.6 8 9 A G E -ab 39 229A 1 220,-2.8 222,-2.8 -2,-0.5 2,-0.6 -0.897 12.3-148.8-103.2 138.4 -10.1 37.5 68.8 9 10 A G E -ab 40 230A 1 30,-2.9 32,-2.9 -2,-0.4 2,-0.9 -0.911 6.4-162.2-107.6 111.2 -6.7 37.2 70.6 10 11 A N E -a 41 0A 1 220,-2.6 224,-0.2 -2,-0.6 225,-0.2 -0.813 5.9-173.5 -97.7 102.0 -3.9 39.1 68.8 11 12 A W - 0 0 3 30,-1.9 -1,-0.2 -2,-0.9 31,-0.1 0.653 21.8-166.4 -69.8 -17.6 -0.6 37.6 70.3 12 13 A K - 0 0 15 29,-0.4 2,-1.4 1,-0.2 -1,-0.2 -0.288 59.6 -20.7 60.8-145.7 1.3 40.3 68.4 13 14 A M B S+I 319 0B 0 306,-1.7 306,-1.3 29,-0.1 2,-0.3 -0.561 107.9 119.2 -93.5 74.3 5.1 39.6 68.2 14 15 A N + 0 0 28 -2,-1.4 304,-0.1 304,-0.2 -3,-0.1 -0.964 42.1 15.5-144.6 148.1 5.3 37.3 71.2 15 16 A G - 0 0 26 -2,-0.3 2,-0.3 4,-0.0 220,-0.0 0.088 51.1-118.8 90.3 165.7 6.1 33.8 72.3 16 17 A D > - 0 0 61 316,-0.0 4,-3.4 30,-0.0 5,-0.5 -0.828 45.8 -81.6-131.3-179.3 8.0 30.7 71.1 17 18 A K H > S+ 0 0 73 -2,-0.3 4,-0.8 1,-0.2 312,-0.0 0.772 130.1 44.3 -53.1 -30.8 6.9 27.1 70.4 18 19 A K H > S+ 0 0 150 2,-0.2 4,-1.3 3,-0.1 -1,-0.2 0.897 118.0 41.1 -82.6 -41.8 7.1 26.2 74.1 19 20 A S H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.889 119.9 45.1 -72.9 -40.7 5.3 29.4 75.5 20 21 A L H X S+ 0 0 0 -4,-3.4 4,-2.3 2,-0.2 -1,-0.2 0.804 110.0 55.6 -73.7 -32.0 2.7 29.3 72.7 21 22 A G H X S+ 0 0 22 -4,-0.8 4,-1.7 -5,-0.5 -1,-0.2 0.816 110.6 45.4 -67.8 -32.6 2.3 25.6 73.1 22 23 A E H X S+ 0 0 114 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.925 112.1 49.8 -75.3 -50.0 1.5 26.1 76.8 23 24 A L H X S+ 0 0 23 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.917 114.6 47.3 -49.7 -47.3 -0.9 29.0 76.2 24 25 A I H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.903 107.5 53.7 -63.7 -46.4 -2.6 26.9 73.6 25 26 A H H X S+ 0 0 143 -4,-1.7 4,-0.9 1,-0.2 -1,-0.2 0.805 110.5 48.6 -62.3 -29.5 -2.9 23.8 75.8 26 27 A T H X S+ 0 0 79 -4,-1.8 4,-1.4 2,-0.2 3,-0.4 0.923 110.8 49.5 -72.4 -46.6 -4.6 25.9 78.5 27 28 A L H < S+ 0 0 6 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.845 107.8 53.8 -64.2 -37.4 -7.0 27.4 76.0 28 29 A N H < S+ 0 0 59 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.795 115.6 41.1 -63.7 -32.8 -7.9 24.0 74.7 29 30 A G H < S+ 0 0 60 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.675 92.3 109.9 -85.2 -19.6 -8.7 22.8 78.2 30 31 A A S < S- 0 0 25 -4,-1.4 2,-1.1 1,-0.1 -3,-0.0 -0.200 78.2-110.8 -66.8 147.0 -10.5 26.0 79.4 31 32 A K + 0 0 189 213,-0.0 2,-0.4 2,-0.0 -1,-0.1 -0.670 51.2 171.8 -76.5 101.3 -14.2 26.1 80.1 32 33 A L - 0 0 53 -2,-1.1 2,-0.1 -5,-0.1 209,-0.1 -0.902 36.8-110.6-116.6 140.9 -15.4 28.4 77.2 33 34 A S > - 0 0 26 -2,-0.4 3,-1.3 1,-0.2 213,-0.0 -0.467 14.4-141.4 -70.3 136.4 -18.9 29.2 76.2 34 35 A A T 3 S+ 0 0 95 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.0 0.859 97.8 79.0 -62.0 -37.4 -19.9 27.6 72.9 35 36 A D T 3 S+ 0 0 79 2,-0.1 -30,-0.4 -31,-0.0 2,-0.4 0.655 82.6 76.7 -26.8 -41.3 -21.7 31.0 72.5 36 37 A T S < S- 0 0 11 -3,-1.3 2,-0.7 -32,-0.1 -30,-0.2 -0.727 71.7-142.4 -96.7 138.2 -18.4 32.7 71.6 37 38 A E E -a 6 0A 51 -32,-3.1 -30,-2.4 -2,-0.4 2,-0.4 -0.866 26.9-164.2 -93.1 111.5 -16.5 32.6 68.3 38 39 A V E +a 7 0A 11 -2,-0.7 21,-3.2 19,-0.4 2,-0.3 -0.829 14.3 175.3-106.0 136.7 -12.8 32.6 69.2 39 40 A V E -ac 8 59A 2 -32,-1.5 -30,-2.9 -2,-0.4 2,-0.5 -0.997 14.5-154.0-137.3 131.8 -9.9 33.4 66.8 40 41 A C E -ac 9 60A 0 19,-2.4 21,-2.3 -2,-0.3 2,-0.8 -0.939 7.6-147.3-111.4 121.4 -6.1 33.6 67.8 41 42 A G E -ac 10 61A 1 -32,-2.9 -30,-1.9 -2,-0.5 -29,-0.4 -0.764 24.3-172.2 -85.5 108.2 -3.7 35.7 65.7 42 43 A A E - c 0 62A 0 19,-1.4 21,-0.6 -2,-0.8 5,-0.1 -0.668 34.0 -89.3-100.6 153.5 -0.3 34.0 65.8 43 44 A P > - 0 0 0 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.288 42.8-115.7 -51.7 144.2 3.1 35.2 64.5 44 45 A S G > S+ 0 0 17 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.870 115.5 58.9 -57.3 -40.9 3.5 34.1 60.9 45 46 A I G 3 S+ 0 0 5 1,-0.3 251,-0.3 2,-0.1 -1,-0.3 0.612 114.1 37.7 -62.6 -16.3 6.4 31.9 61.7 46 47 A Y G <> S+ 0 0 1 -3,-2.0 4,-2.4 2,-0.1 -1,-0.3 0.189 83.2 104.0-119.9 14.0 4.1 29.9 64.1 47 48 A L H <> S+ 0 0 0 -3,-1.5 4,-2.2 -4,-0.2 5,-0.2 0.921 84.5 46.2 -62.5 -43.0 0.8 29.9 62.2 48 49 A D H > S+ 0 0 24 -4,-0.4 4,-2.5 245,-0.3 -1,-0.2 0.951 115.8 45.2 -64.8 -52.5 1.2 26.3 61.1 49 50 A F H > S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.915 113.0 52.1 -52.0 -46.6 2.2 25.1 64.5 50 51 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.888 111.2 46.0 -64.4 -40.4 -0.6 27.1 66.1 51 52 A R H < S+ 0 0 42 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.908 112.1 51.3 -72.1 -43.0 -3.3 25.7 63.8 52 53 A Q H < S+ 0 0 129 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.891 119.0 36.2 -53.3 -44.2 -2.0 22.2 64.4 53 54 A K H < S+ 0 0 113 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.883 99.2 83.9 -86.4 -43.5 -2.1 22.5 68.2 54 55 A L S < S- 0 0 6 -4,-2.8 -29,-0.1 -5,-0.2 6,-0.0 -0.327 92.8-100.4 -60.9 142.2 -5.2 24.6 68.7 55 56 A D > - 0 0 69 -31,-0.2 3,-2.1 1,-0.1 -1,-0.1 -0.359 31.0-115.5 -60.4 146.1 -8.4 22.7 68.7 56 57 A A T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -4,-0.1 -2,-0.1 0.832 111.6 67.6 -55.5 -36.2 -10.3 22.9 65.4 57 58 A K T 3 S+ 0 0 195 2,-0.1 2,-0.5 -20,-0.0 -19,-0.4 0.452 91.7 70.3 -62.8 -10.0 -13.2 24.8 67.1 58 59 A I S < S- 0 0 10 -3,-2.1 -19,-0.2 -7,-0.1 -21,-0.0 -0.962 83.8-130.5-112.9 132.3 -10.9 27.9 67.6 59 60 A G E -c 39 0A 16 -21,-3.2 -19,-2.4 -2,-0.5 2,-0.4 -0.307 10.7-143.5 -79.1 164.4 -9.9 29.9 64.6 60 61 A V E -c 40 0A 1 -21,-0.2 29,-1.2 26,-0.1 28,-1.0 -0.996 14.6-169.0-128.4 136.8 -6.4 31.0 63.7 61 62 A A E -cd 41 89A 0 -21,-2.3 -19,-1.4 -2,-0.4 29,-0.3 -0.965 22.5-128.6-123.0 141.0 -5.5 34.3 62.0 62 63 A A E -cd 42 90A 0 27,-1.9 29,-2.5 -2,-0.4 3,-0.1 -0.573 23.4-132.7 -70.7 149.8 -2.4 35.7 60.4 63 64 A Q S S- 0 0 4 -21,-0.6 2,-0.3 1,-0.2 31,-0.3 0.539 82.5 -8.9 -84.3 -7.8 -1.6 39.0 61.9 64 65 A N - 0 0 13 259,-0.1 2,-0.3 28,-0.1 -1,-0.2 -0.951 63.1-178.7-174.0 160.7 -1.1 40.5 58.4 65 66 A C - 0 0 1 -2,-0.3 13,-0.2 -3,-0.1 2,-0.1 -0.974 25.3-105.4-162.3 171.0 -0.8 39.5 54.8 66 67 A Y - 0 0 14 11,-2.6 -2,-0.0 -2,-0.3 7,-0.0 -0.342 28.8-111.3-100.5-177.0 -0.2 40.9 51.3 67 68 A K S S+ 0 0 58 -2,-0.1 11,-0.1 11,-0.1 3,-0.0 0.060 90.5 51.1-112.0 15.5 -2.5 41.6 48.4 68 69 A V S S- 0 0 49 1,-0.1 -2,-0.2 3,-0.0 12,-0.1 -0.971 79.7-119.8-146.7 154.0 -1.4 39.0 45.7 69 70 A P S S- 0 0 59 0, 0.0 2,-0.3 0, 0.0 9,-0.2 0.817 90.0 -5.8 -64.5 -33.4 -0.9 35.2 45.9 70 71 A K S S+ 0 0 144 7,-0.1 2,-0.2 192,-0.1 192,-0.2 -0.959 78.3 107.8-155.3 162.5 2.7 35.3 44.9 71 72 A G B S-J 261 0C 20 190,-2.0 2,-2.2 -2,-0.3 190,-1.7 -0.831 70.6 -42.4 148.2 175.4 5.5 37.7 43.7 72 73 A A S S+ 0 0 49 -2,-0.2 2,-0.1 188,-0.2 188,-0.1 -0.462 78.7 124.0 -75.9 77.3 8.7 39.6 44.4 73 74 A F > - 0 0 44 -2,-2.2 3,-2.1 3,-0.1 -1,-0.1 -0.639 51.0-152.3-137.5 69.6 7.8 40.9 47.9 74 75 A T T 3 S+ 0 0 0 1,-0.2 3,-0.1 -2,-0.1 -2,-0.1 -0.193 79.5 19.3 -46.4 124.9 10.6 39.8 50.1 75 76 A G T 3 S+ 0 0 21 1,-0.3 -1,-0.2 237,-0.1 2,-0.2 0.324 101.1 109.2 97.3 -5.8 9.3 39.3 53.7 76 77 A E < - 0 0 10 -3,-2.1 -1,-0.3 235,-0.1 2,-0.3 -0.557 48.9-154.8-102.1 160.2 5.6 39.0 52.9 77 78 A I - 0 0 9 -2,-0.2 -11,-2.6 214,-0.1 -7,-0.1 -0.947 13.2-141.0-128.9 157.1 3.0 36.1 53.0 78 79 A S >> - 0 0 0 -2,-0.3 4,-2.0 -9,-0.2 3,-1.0 -0.771 29.0-107.7-117.3 158.1 -0.2 35.7 51.1 79 80 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.825 117.4 66.1 -47.1 -35.9 -3.7 34.4 51.8 80 81 A A H 3> S+ 0 0 37 1,-0.2 4,-1.9 2,-0.2 -10,-0.1 0.909 105.6 40.1 -55.2 -44.8 -2.7 31.5 49.6 81 82 A M H <> S+ 0 0 3 -3,-1.0 4,-1.2 2,-0.2 -1,-0.2 0.879 111.4 56.3 -74.1 -38.8 -0.1 30.4 52.1 82 83 A I H ><>S+ 0 0 0 -4,-2.0 5,-2.0 1,-0.2 3,-0.6 0.942 112.1 44.3 -58.4 -47.6 -2.3 31.1 55.1 83 84 A K H ><5S+ 0 0 113 -4,-2.7 3,-2.2 1,-0.2 -1,-0.2 0.889 104.4 64.3 -51.0 -49.5 -4.9 28.8 53.6 84 85 A D H 3<5S+ 0 0 58 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.698 105.1 44.8 -58.7 -24.3 -2.2 26.3 52.8 85 86 A I T <<5S- 0 0 9 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.219 124.1-101.4-101.4 12.8 -1.5 25.7 56.5 86 87 A G T < 5S+ 0 0 48 -3,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.590 74.4 137.1 85.2 11.2 -5.2 25.5 57.4 87 88 A A < - 0 0 4 -5,-2.0 -1,-0.3 -6,-0.2 -26,-0.1 -0.629 32.4-169.7 -85.7 150.4 -5.9 29.0 58.8 88 89 A A + 0 0 54 -28,-1.0 33,-2.5 -2,-0.2 2,-0.3 0.267 57.9 63.1-125.2 11.8 -9.1 30.9 57.8 89 90 A W E -de 61 121A 27 -29,-1.2 -27,-1.9 31,-0.2 2,-0.3 -0.955 49.0-168.9-136.3 154.5 -8.6 34.4 59.1 90 91 A V E -de 62 122A 0 31,-1.7 33,-2.3 -2,-0.3 2,-0.6 -0.990 19.0-139.3-140.0 138.9 -6.4 37.4 58.7 91 92 A I E - e 0 123A 3 -29,-2.5 2,-0.4 -2,-0.3 33,-0.2 -0.870 31.0-176.5 -89.5 124.0 -6.1 40.6 60.8 92 93 A L E + e 0 124A 0 31,-2.3 33,-2.7 -2,-0.6 -28,-0.1 -0.959 55.8 18.1-124.8 142.6 -5.8 43.6 58.4 93 94 A G S S+ 0 0 0 -2,-0.4 -1,-0.1 31,-0.2 5,-0.1 0.712 74.4 176.9 75.5 22.9 -5.2 47.3 59.1 94 95 A H >> - 0 0 0 -31,-0.3 4,-2.0 -3,-0.1 3,-0.8 -0.280 43.1-112.3 -58.0 144.7 -4.1 46.8 62.7 95 96 A S H 3> S+ 0 0 10 1,-0.3 4,-2.7 2,-0.2 5,-0.4 0.859 119.3 53.5 -45.4 -43.9 -3.1 50.0 64.4 96 97 A E H 3>>S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 5,-1.6 0.882 107.2 51.7 -65.5 -37.3 0.6 48.9 64.5 97 98 A R H <45S+ 0 0 4 -3,-0.8 6,-2.1 3,-0.2 4,-0.3 0.927 115.5 40.6 -61.5 -48.5 0.5 48.2 60.7 98 99 A R H <5S+ 0 0 17 -4,-2.0 -2,-0.2 4,-0.2 -1,-0.2 0.895 128.1 27.2 -68.4 -43.6 -0.8 51.7 59.9 99 100 A H H <5S+ 0 0 76 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.712 129.9 34.1-104.5 -23.6 1.2 53.8 62.3 100 101 A V T <5S+ 0 0 69 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.1 0.821 132.2 30.5 -89.3 -44.4 4.4 51.8 62.9 101 102 A F S - 0 0 60 -2,-0.1 4,-2.4 1,-0.1 3,-0.3 -0.319 15.7-113.6 -81.9 157.5 -2.0 53.2 53.9 105 106 A D H > S+ 0 0 55 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.802 118.0 52.9 -50.1 -36.3 -5.9 53.1 53.9 106 107 A E H > S+ 0 0 134 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.815 108.5 47.2 -76.9 -34.7 -5.7 52.2 50.2 107 108 A L H > S+ 0 0 24 -3,-0.3 4,-2.6 2,-0.2 3,-0.4 0.935 110.3 51.6 -72.6 -49.7 -3.3 49.2 50.6 108 109 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.915 108.8 53.3 -48.0 -46.6 -5.4 47.8 53.5 109 110 A G H X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.834 108.9 48.7 -59.8 -35.0 -8.4 48.1 51.2 110 111 A Q H X S+ 0 0 68 -4,-1.1 4,-1.9 -3,-0.4 -2,-0.2 0.918 110.5 50.2 -70.2 -41.7 -6.5 46.1 48.6 111 112 A K H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.861 109.5 51.4 -64.0 -39.5 -5.5 43.4 51.1 112 113 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.915 108.6 51.1 -65.7 -44.9 -9.1 43.0 52.3 113 114 A A H X S+ 0 0 39 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.891 115.8 42.4 -59.5 -40.0 -10.4 42.6 48.7 114 115 A H H X S+ 0 0 27 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.919 111.3 51.9 -77.5 -44.4 -7.8 39.9 48.1 115 116 A A H <>S+ 0 0 0 -4,-3.0 5,-2.5 1,-0.2 -2,-0.2 0.919 113.8 46.0 -59.3 -39.4 -8.1 38.1 51.4 116 117 A L H ><5S+ 0 0 34 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.886 109.8 53.4 -71.6 -36.6 -11.9 37.8 51.0 117 118 A A H 3<5S+ 0 0 83 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.807 107.9 51.7 -65.9 -30.6 -11.6 36.7 47.4 118 119 A E T 3<5S- 0 0 59 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.367 124.2-105.4 -90.5 -1.1 -9.2 33.9 48.4 119 120 A G T < 5S+ 0 0 41 -3,-1.2 -3,-0.2 1,-0.3 2,-0.2 0.636 74.5 131.7 92.2 16.2 -11.8 32.8 51.0 120 121 A L < - 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0 0 59 2,-0.1 4,-2.2 3,-0.1 5,-0.3 0.271 33.7 -85.9 89.6 135.8 27.9 42.2 33.4 425 178 B P H > S+ 0 0 12 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.807 126.0 46.8 -44.6 -46.6 31.0 41.0 35.1 426 179 B Q H > S+ 0 0 131 1,-0.2 4,-2.2 2,-0.2 -2,-0.1 0.952 112.0 47.8 -65.0 -52.2 33.0 44.3 34.6 427 180 B Q H > S+ 0 0 55 -4,-0.3 4,-0.9 -3,-0.2 -1,-0.2 0.910 114.2 48.9 -52.8 -46.6 30.2 46.6 35.8 428 181 B A H >X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 3,-0.7 0.894 108.8 52.0 -56.9 -47.0 29.7 44.4 38.9 429 182 B Q H 3X S+ 0 0 21 -4,-2.2 4,-3.1 -5,-0.3 5,-0.3 0.890 102.1 60.6 -62.0 -41.9 33.4 44.3 39.7 430 183 B E H 3X S+ 0 0 129 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.784 113.3 37.3 -54.9 -33.7 33.6 48.1 39.6 431 184 B V H S+ 0 0 0 -4,-2.2 5,-1.7 1,-0.2 4,-1.0 0.753 110.0 58.6 -58.1 -25.5 35.4 48.5 54.1 440 193 B K H <5S+ 0 0 131 -4,-1.3 -2,-0.2 3,-0.2 -1,-0.2 0.972 115.0 30.1 -66.7 -54.9 39.2 49.1 53.7 441 194 B S H <5S+ 0 0 88 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.754 127.9 38.8 -79.2 -27.1 39.2 52.8 54.6 442 195 B H H <5S+ 0 0 108 -4,-2.5 -3,-0.2 -5,-0.1 -1,-0.2 0.595 131.8 9.2-103.9 -17.0 36.3 52.9 57.1 443 196 B V T <5S- 0 0 59 -4,-1.0 2,-0.3 -5,-0.3 -3,-0.2 0.526 108.9 -61.0-124.8 -80.8 36.6 49.6 59.0 444 197 B S >< - 0 0 46 -5,-1.7 4,-2.1 1,-0.1 5,-0.2 -0.952 29.0-112.0-172.0 158.1 39.8 47.5 58.5 445 198 B D H > S+ 0 0 104 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.840 116.2 53.9 -59.2 -38.6 41.9 45.6 56.0 446 199 B A H > S+ 0 0 70 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.852 109.5 47.3 -71.5 -37.1 41.1 42.3 57.7 447 200 B V H > S+ 0 0 22 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.865 112.1 49.5 -69.4 -42.5 37.3 42.9 57.5 448 201 B A H < S+ 0 0 4 -4,-2.1 -2,-0.2 -9,-0.3 -1,-0.2 0.866 114.1 47.1 -63.2 -36.4 37.6 44.0 53.8 449 202 B Q H < S+ 0 0 103 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.784 121.1 34.7 -76.9 -27.1 39.6 40.8 53.1 450 203 B S H < S+ 0 0 65 -4,-1.2 2,-0.4 -5,-0.1 -2,-0.2 0.590 93.9 96.7-105.8 -14.9 37.3 38.4 54.9 451 204 B T < - 0 0 1 -4,-1.9 2,-0.4 -5,-0.1 -43,-0.1 -0.671 69.7-132.8 -86.8 124.8 33.9 39.9 54.3 452 205 B R E -q 408 0D 25 -45,-0.5 -43,-2.6 -2,-0.4 2,-0.5 -0.617 16.3-166.4 -81.1 128.5 31.9 38.4 51.4 453 206 B I E -q 409 0D 0 -2,-0.4 21,-2.7 -45,-0.2 2,-0.3 -0.987 14.8-168.8-112.9 121.1 30.3 40.8 49.0 454 207 B I E -q 410 0D 0 -45,-3.3 -43,-2.7 -2,-0.5 2,-0.4 -0.860 13.5-133.6-118.1 148.0 27.7 39.1 46.7 455 208 B Y E +qr 411 476D 0 20,-2.5 22,-1.2 -2,-0.3 2,-0.3 -0.803 22.9 174.2-103.1 137.3 25.9 40.2 43.6 456 209 B G E + r 0 477D 0 -45,-2.1 22,-0.1 -2,-0.4 -40,-0.1 -0.913 29.8 103.2-133.6 165.8 22.2 39.8 42.9 457 210 B G S S- 0 0 4 20,-0.6 -34,-0.3 -2,-0.3 -40,-0.2 0.508 98.7 -15.7 119.1 84.6 20.0 41.0 40.1 458 211 B S S S+ 0 0 27 1,-0.2 2,-0.4 -36,-0.1 -36,-0.2 0.850 79.9 173.7 66.5 38.6 19.0 38.7 37.3 459 212 B V + 0 0 8 18,-0.3 22,-0.4 -38,-0.1 2,-0.3 -0.645 5.1 172.0 -76.5 130.1 21.5 35.9 38.1 460 213 B T >> - 0 0 51 -2,-0.4 4,-1.8 20,-0.1 3,-0.6 -0.870 50.1-104.5-132.4 167.1 20.9 32.8 36.1 461 214 B G T 34 S+ 0 0 18 -2,-0.3 4,-0.4 1,-0.2 -2,-0.0 0.779 122.1 55.9 -59.5 -27.5 22.8 29.6 35.4 462 215 B G T 34 S+ 0 0 75 1,-0.1 -1,-0.2 2,-0.1 4,-0.2 0.767 116.0 31.3 -78.8 -28.7 23.7 31.1 32.1 463 216 B N T <> S+ 0 0 39 -3,-0.6 4,-1.3 2,-0.1 -2,-0.2 0.588 98.6 79.6-107.3 -9.2 25.4 34.3 33.5 464 217 B C H X S+ 0 0 0 -4,-1.8 4,-3.1 1,-0.2 5,-0.3 0.822 81.0 64.0 -72.0 -36.7 26.9 33.2 36.9 465 218 B K H > S+ 0 0 137 -4,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.937 109.8 42.1 -51.0 -48.4 30.1 31.5 35.7 466 219 B E H > S+ 0 0 136 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.844 114.9 48.5 -69.6 -38.9 31.3 34.8 34.3 467 220 B L H >< S+ 0 0 2 -4,-1.3 3,-1.3 1,-0.2 -2,-0.2 0.941 111.7 49.6 -68.1 -46.8 30.2 36.9 37.3 468 221 B A H 3< S+ 0 0 5 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.783 98.4 69.6 -62.4 -29.2 31.7 34.6 39.8 469 222 B S H 3< S+ 0 0 89 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.803 77.8 102.2 -56.8 -31.6 35.0 34.7 37.8 470 223 B Q S X< S- 0 0 43 -3,-1.3 3,-1.2 -4,-0.6 -44,-0.0 -0.239 79.0-127.4 -59.5 141.8 35.5 38.3 38.9 471 224 B H T 3 S+ 0 0 170 1,-0.3 -1,-0.1 3,-0.0 -3,-0.0 0.909 103.6 38.7 -63.6 -40.9 38.0 38.8 41.7 472 225 B D T 3 S+ 0 0 30 -20,-0.0 2,-0.6 2,-0.0 -1,-0.3 0.203 92.8 94.2-100.4 17.3 35.8 40.8 44.1 473 226 B V < - 0 0 4 -3,-1.2 -19,-0.2 -5,-0.2 3,-0.1 -0.934 47.8-179.5-111.7 112.9 32.5 39.0 43.6 474 227 B D - 0 0 12 -21,-2.7 -220,-2.2 -2,-0.6 2,-0.3 0.258 55.1 -59.2-101.9 11.2 32.1 36.3 46.2 475 228 B G E -l 254 0D 0 -22,-0.3 -20,-2.5 -222,-0.2 2,-0.3 -0.967 61.3 -70.1 141.8-158.7 28.8 34.8 45.2 476 229 B F E -lr 255 455D 0 -222,-1.1 -220,-2.6 -2,-0.3 2,-0.6 -0.953 5.5-144.2-143.1 146.3 25.1 35.6 44.7 477 230 B L E -lr 256 456D 1 -22,-1.2 -20,-0.6 -2,-0.3 2,-0.5 -0.988 38.8-156.5-102.5 118.9 21.8 36.5 46.1 478 231 B V E +l 257 0D 1 -222,-2.8 -220,-3.1 -2,-0.6 -22,-0.1 -0.856 20.8 170.8-110.6 123.7 19.5 34.6 43.7 479 232 B G S > S+ 0 0 19 -2,-0.5 3,-2.6 -222,-0.2 4,-0.5 0.678 72.9 10.5 -93.5-109.8 15.9 35.6 43.2 480 233 B G G > S+ 0 0 54 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.805 125.7 57.9 -38.7 -46.9 13.8 34.0 40.5 481 234 B A G > S+ 0 0 8 -22,-0.4 3,-0.8 1,-0.3 6,-0.6 0.674 89.1 73.7 -69.8 -17.2 16.3 31.3 39.8 482 235 B S G < S+ 0 0 1 -3,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.781 94.5 53.3 -66.1 -25.6 16.3 30.0 43.4 483 236 B L G < S+ 0 0 66 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.697 104.2 71.8 -75.8 -21.1 12.9 28.5 42.8 484 237 B K S X S- 0 0 119 -3,-0.8 3,-1.1 -4,-0.4 4,-0.3 -0.403 92.6-110.5 -95.9 168.2 14.2 26.6 39.7 485 238 B P T > S+ 0 0 101 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.815 110.0 74.3 -64.5 -29.7 16.5 23.6 39.3 486 239 B E T 3> S+ 0 0 45 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.625 71.9 83.9 -64.4 -13.0 19.2 25.9 37.8 487 240 B F H <> S+ 0 0 2 -3,-1.1 4,-2.3 -6,-0.6 3,-0.4 0.920 86.7 58.6 -50.1 -42.1 19.8 27.2 41.4 488 241 B V H <> S+ 0 0 24 -3,-1.9 4,-1.5 -4,-0.3 -1,-0.2 0.935 102.4 50.2 -51.8 -52.0 22.0 24.1 41.5 489 242 B D H 4 S+ 0 0 96 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.830 109.4 52.3 -57.0 -32.2 24.1 25.4 38.6 490 243 B I H >< S+ 0 0 0 -4,-1.7 3,-1.5 -3,-0.4 -1,-0.2 0.865 104.1 54.9 -75.1 -38.4 24.5 28.8 40.4 491 244 B I H 3< S+ 0 0 0 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.853 112.9 45.7 -54.4 -34.9 25.8 27.1 43.5 492 245 B N T >< S+ 0 0 30 -4,-1.5 3,-1.7 -5,-0.2 -1,-0.2 0.105 73.9 125.8 -98.6 22.0 28.4 25.5 41.2 493 246 B A T < S+ 0 0 3 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.789 78.2 45.8 -50.2 -34.2 29.3 28.7 39.3 494 247 B K T 3 0 0 113 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.615 360.0 360.0 -88.9 -16.3 32.9 28.2 40.2 495 248 B H < 0 0 135 -3,-1.7 -3,-0.1 -6,-0.2 -6,-0.0 0.104 360.0 360.0-126.4 360.0 33.0 24.5 39.2