==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-JUN-13 4BR1 . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.DELAMORA-DELAMORA,A.TORRES-LARIOS,G.HERNANDEZ-ALCANTARA, . 474 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 324 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 14.8 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 . 33 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 5 6 2 0 0 1 0 0 4 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 2 4 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 4 A R 0 0 103 0, 0.0 2,-0.3 0, 0.0 185,-0.1 0.000 360.0 360.0 360.0 123.7 -3.4 -25.7 11.4 2 5 A K - 0 0 101 183,-0.2 32,-0.1 1,-0.1 31,-0.0 -0.486 360.0-109.1 -71.0 127.7 -2.6 -25.4 7.7 3 6 A F E -a 34 0A 8 30,-0.8 32,-2.9 -2,-0.3 2,-0.5 -0.309 37.7-159.2 -57.8 132.0 1.1 -24.6 7.1 4 7 A F E -ab 35 210A 0 205,-2.3 207,-1.8 30,-0.2 2,-0.5 -0.965 13.6-177.0-125.9 120.2 1.4 -21.0 5.9 5 8 A V E -ab 36 211A 0 30,-2.9 32,-2.4 -2,-0.5 2,-0.4 -0.934 4.8-176.6-122.0 111.7 4.4 -19.6 3.9 6 9 A G E -ab 37 212A 1 205,-3.4 207,-3.4 -2,-0.5 2,-0.6 -0.847 13.5-151.2-103.9 140.3 4.5 -15.9 3.0 7 10 A G E -ab 38 213A 1 30,-3.1 32,-3.2 -2,-0.4 2,-0.8 -0.949 5.2-162.9-111.9 115.6 7.2 -14.3 1.0 8 11 A N E -a 39 0A 2 205,-3.1 209,-0.2 -2,-0.6 210,-0.2 -0.851 7.3-175.9 -99.0 104.4 7.8 -10.6 1.6 9 12 A W - 0 0 1 30,-1.9 -1,-0.1 -2,-0.8 3,-0.1 0.623 22.6-167.0 -73.8 -12.3 9.8 -9.2 -1.3 10 13 A K - 0 0 41 29,-0.5 2,-1.4 1,-0.2 -1,-0.2 -0.219 60.0 -24.6 53.5-148.7 10.1 -5.9 0.5 11 14 A M B S+I 301 0B 0 290,-1.6 290,-2.0 -3,-0.1 2,-0.3 -0.535 110.1 112.4 -93.6 69.8 11.3 -3.0 -1.7 12 15 A N + 0 0 39 -2,-1.4 288,-0.1 288,-0.2 -3,-0.1 -0.973 44.0 32.4-139.0 152.9 13.2 -5.2 -4.2 13 16 A G - 0 0 11 -2,-0.3 2,-0.3 27,-0.1 3,-0.0 0.011 48.8-130.6 96.3 161.4 12.9 -6.3 -7.8 14 17 A R > - 0 0 50 300,-0.0 4,-3.0 30,-0.0 5,-0.4 -0.816 46.7 -83.8-136.8 179.1 11.8 -5.0 -11.2 15 18 A K H > S+ 0 0 53 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.884 127.0 50.4 -58.8 -37.7 9.6 -6.7 -13.8 16 19 A Q H > S+ 0 0 159 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.983 117.2 35.8 -63.7 -58.9 12.5 -8.7 -15.2 17 20 A S H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.892 120.8 48.3 -65.1 -40.3 13.8 -10.1 -12.0 18 21 A L H X S+ 0 0 2 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.861 107.4 56.6 -67.9 -36.1 10.4 -10.5 -10.5 19 22 A G H X S+ 0 0 26 -4,-2.3 4,-2.4 -5,-0.4 -2,-0.2 0.908 108.8 46.0 -58.8 -43.4 9.1 -12.2 -13.6 20 23 A E H X S+ 0 0 131 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.881 111.0 53.2 -67.4 -39.3 11.8 -14.8 -13.4 21 24 A L H X S+ 0 0 15 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.929 111.7 45.7 -56.9 -48.8 11.0 -15.3 -9.7 22 25 A I H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 31,-0.2 0.907 108.6 55.7 -64.8 -42.1 7.4 -15.9 -10.5 23 26 A G H X S+ 0 0 37 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.898 107.2 50.6 -57.9 -40.0 8.2 -18.2 -13.4 24 27 A T H X S+ 0 0 68 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.917 111.4 47.7 -63.5 -43.6 10.2 -20.4 -10.9 25 28 A L H < S+ 0 0 4 -4,-1.9 3,-0.4 1,-0.2 -2,-0.2 0.859 110.0 52.6 -66.4 -35.6 7.3 -20.4 -8.5 26 29 A N H < S+ 0 0 40 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.849 108.5 51.3 -66.7 -33.5 4.9 -21.3 -11.3 27 30 A A H < S+ 0 0 90 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.619 97.7 86.1 -79.9 -14.9 7.1 -24.3 -12.3 28 31 A A S < S- 0 0 23 -4,-0.8 2,-0.7 -3,-0.4 -3,-0.0 -0.434 78.4-125.2 -82.9 158.9 7.3 -25.7 -8.8 29 32 A K - 0 0 190 -2,-0.1 -2,-0.1 194,-0.0 -3,-0.1 -0.932 22.9-155.8-103.1 113.8 4.8 -28.0 -7.2 30 33 A V - 0 0 28 -2,-0.7 197,-0.1 -5,-0.1 193,-0.0 -0.761 27.4-109.4 -86.1 132.4 3.5 -26.6 -3.9 31 34 A P > - 0 0 12 0, 0.0 3,-1.9 0, 0.0 -1,-0.0 -0.369 24.0-126.6 -56.8 138.4 2.2 -29.2 -1.5 32 35 A A T 3 S+ 0 0 93 1,-0.3 -2,-0.0 3,-0.1 0, 0.0 0.775 108.7 60.2 -61.9 -26.3 -1.7 -28.9 -1.3 33 36 A D T 3 S+ 0 0 86 2,-0.0 -30,-0.8 -31,-0.0 2,-0.5 0.296 91.9 84.4 -85.6 7.2 -1.4 -28.6 2.5 34 37 A T E < -a 3 0A 7 -3,-1.9 2,-0.6 -32,-0.1 -30,-0.2 -0.953 66.8-150.4-113.4 131.6 0.7 -25.5 2.2 35 38 A E E -a 4 0A 51 -32,-2.9 -30,-2.9 -2,-0.5 2,-0.4 -0.894 19.4-163.9 -98.9 118.1 -0.8 -22.0 1.8 36 39 A V E +a 5 0A 5 -2,-0.6 21,-2.6 19,-0.5 2,-0.4 -0.892 10.5 179.1-113.4 131.4 1.6 -19.8 -0.1 37 40 A V E -ac 6 57A 1 -32,-2.4 -30,-3.1 -2,-0.4 2,-0.4 -0.991 11.0-159.4-131.8 135.3 1.4 -16.0 -0.3 38 41 A C E -ac 7 58A 0 19,-2.7 21,-3.0 -2,-0.4 -30,-0.2 -0.962 2.3-160.6-115.4 134.7 3.7 -13.5 -2.1 39 42 A A E -a 8 0A 3 -32,-3.2 -30,-1.9 -2,-0.4 -29,-0.5 -0.860 16.5-175.0-116.8 95.7 3.9 -9.8 -1.2 40 43 A P - 0 0 0 0, 0.0 21,-0.4 0, 0.0 5,-0.1 -0.318 40.9 -76.9 -79.8 165.1 5.4 -7.7 -4.0 41 44 A P > - 0 0 0 0, 0.0 3,-2.6 0, 0.0 4,-0.2 -0.309 52.5-106.9 -55.4 149.8 6.3 -4.0 -3.9 42 45 A T G > S+ 0 0 10 264,-0.3 3,-1.3 1,-0.3 4,-0.4 0.821 118.7 60.6 -56.2 -35.1 3.1 -2.0 -4.3 43 46 A A G 3 S+ 0 0 1 1,-0.2 235,-0.3 263,-0.1 -1,-0.3 0.676 110.4 43.6 -63.8 -16.2 3.9 -1.0 -7.9 44 47 A Y G <> S+ 0 0 0 -3,-2.6 4,-3.0 2,-0.1 -1,-0.2 0.173 76.9 102.7-119.4 13.8 3.9 -4.7 -8.8 45 48 A I H <> S+ 0 0 0 -3,-1.3 4,-2.2 2,-0.2 5,-0.2 0.947 91.8 41.9 -58.7 -47.1 0.8 -6.1 -7.0 46 49 A D H > S+ 0 0 3 -4,-0.4 4,-2.0 229,-0.3 -1,-0.2 0.947 115.9 49.4 -67.9 -49.0 -1.1 -6.1 -10.3 47 50 A F H > S+ 0 0 16 -4,-0.3 4,-1.9 1,-0.2 5,-0.2 0.932 112.2 48.0 -52.5 -51.7 1.9 -7.4 -12.3 48 51 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.898 109.3 51.7 -62.9 -42.7 2.5 -10.2 -9.9 49 52 A R H < S+ 0 0 48 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.877 109.7 51.5 -64.0 -35.1 -1.1 -11.3 -9.7 50 53 A Q H < S+ 0 0 99 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.891 118.1 35.9 -65.2 -40.9 -1.2 -11.5 -13.6 51 54 A K H < S+ 0 0 109 -4,-1.9 2,-0.3 -5,-0.2 -2,-0.2 0.787 99.7 87.4 -86.7 -29.5 1.9 -13.6 -13.9 52 55 A L S < S- 0 0 6 -4,-2.6 -29,-0.1 -5,-0.2 6,-0.1 -0.527 84.2-112.2 -77.9 134.2 1.6 -15.9 -10.8 53 56 A D > - 0 0 64 -2,-0.3 3,-2.0 -31,-0.2 -1,-0.1 -0.305 32.2-113.6 -58.7 146.9 -0.4 -19.1 -11.0 54 57 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.664 108.8 79.4 -64.8 -14.2 -3.6 -18.8 -9.0 55 58 A K T 3 S+ 0 0 88 2,-0.1 2,-0.5 -29,-0.0 -19,-0.5 0.749 90.3 63.3 -60.1 -24.4 -2.4 -21.5 -6.5 56 59 A I S < S- 0 0 2 -3,-2.0 -19,-0.2 -21,-0.1 2,-0.2 -0.895 83.1-141.6-107.2 126.5 -0.3 -18.7 -5.0 57 60 A A E -c 37 0A 20 -21,-2.6 -19,-2.7 -2,-0.5 2,-0.4 -0.501 10.7-133.6 -84.0 157.9 -2.0 -15.8 -3.4 58 61 A V E -c 38 0A 0 26,-0.3 28,-1.8 -21,-0.2 29,-1.2 -0.921 18.4-166.7-112.9 137.8 -0.8 -12.2 -3.6 59 62 A A E -d 87 0A 0 -21,-3.0 29,-0.3 -2,-0.4 2,-0.2 -0.941 18.9-129.5-119.5 144.1 -0.5 -9.8 -0.6 60 63 A A E -d 88 0A 0 27,-2.2 29,-2.4 -2,-0.4 3,-0.1 -0.578 19.2-133.0 -77.9 156.3 0.0 -6.0 -0.5 61 64 A Q S S- 0 0 0 -21,-0.4 2,-0.3 1,-0.2 31,-0.2 0.564 80.4 -11.8 -87.4 -7.7 2.8 -4.9 1.8 62 65 A N - 0 0 9 28,-0.1 2,-0.3 243,-0.1 -1,-0.2 -0.955 60.8-171.1-174.9 162.6 0.7 -2.2 3.5 63 66 A C - 0 0 1 -2,-0.3 13,-0.2 26,-0.1 2,-0.1 -0.964 23.2-110.5-156.3 174.2 -2.5 -0.3 3.1 64 67 A Y - 0 0 16 11,-2.6 -2,-0.0 -2,-0.3 49,-0.0 -0.409 29.4-111.4-104.3-172.9 -4.4 2.6 4.6 65 68 A K S S+ 0 0 66 -2,-0.1 2,-0.3 11,-0.1 11,-0.1 0.299 87.9 59.2-114.4 6.6 -7.5 2.7 6.8 66 69 A V S S- 0 0 56 1,-0.1 -2,-0.2 46,-0.0 3,-0.1 -0.936 79.1-121.3-128.8 160.6 -10.3 4.3 4.6 67 70 A T S S- 0 0 52 -2,-0.3 2,-0.3 1,-0.2 9,-0.2 0.804 90.5 -6.9 -75.0 -30.1 -11.7 3.1 1.3 68 71 A N S S+ 0 0 61 176,-0.1 2,-0.3 7,-0.1 176,-0.2 -0.964 82.3 117.0-153.7 157.7 -10.9 6.3 -0.7 69 72 A G B -J 243 0C 15 174,-2.5 2,-1.9 -2,-0.3 174,-1.8 -0.967 66.7 -52.1 164.6-176.6 -9.5 9.7 0.2 70 73 A A S S+ 0 0 47 -2,-0.3 2,-0.3 172,-0.2 172,-0.1 -0.481 78.1 123.2 -85.6 65.4 -7.1 12.6 0.1 71 74 A F > - 0 0 46 -2,-1.9 3,-2.1 3,-0.1 -1,-0.1 -0.662 49.8-155.7-129.2 74.7 -4.1 10.4 1.1 72 75 A T T 3 S+ 0 0 0 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 -0.224 79.5 21.8 -50.7 129.7 -1.5 10.9 -1.6 73 76 A G T 3 S+ 0 0 16 1,-0.3 -1,-0.3 199,-0.1 2,-0.2 0.355 103.5 103.4 92.6 -5.6 0.9 7.9 -1.8 74 77 A E < - 0 0 11 -3,-2.1 2,-0.3 219,-0.1 200,-0.3 -0.652 52.3-152.3-107.0 164.6 -1.5 5.4 -0.0 75 78 A I - 0 0 7 -2,-0.2 -11,-2.6 198,-0.1 -7,-0.1 -0.967 12.6-135.9-132.8 152.2 -3.6 2.5 -1.3 76 79 A S >> - 0 0 0 -2,-0.3 4,-2.0 -13,-0.2 3,-0.8 -0.670 27.2-109.7-105.3 160.6 -6.8 1.1 0.2 77 80 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.832 118.6 61.1 -54.6 -32.9 -7.9 -2.5 0.8 78 81 A G H 3> S+ 0 0 10 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.888 105.4 45.4 -62.0 -38.8 -10.5 -2.0 -2.0 79 82 A M H <> S+ 0 0 0 -3,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.886 111.5 53.4 -69.3 -39.9 -7.7 -1.3 -4.5 80 83 A I H <>S+ 0 0 0 -4,-2.0 5,-1.9 1,-0.2 3,-0.3 0.934 112.4 43.3 -60.5 -47.5 -5.8 -4.3 -3.3 81 84 A K H ><5S+ 0 0 105 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.868 108.8 59.1 -64.8 -36.6 -8.8 -6.5 -3.8 82 85 A D H 3<5S+ 0 0 59 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.819 102.3 54.6 -64.9 -30.1 -9.5 -4.9 -7.2 83 86 A C T 3<5S- 0 0 5 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.408 124.4-104.0 -83.5 2.4 -6.0 -5.9 -8.3 84 87 A G T < 5S+ 0 0 33 -3,-1.8 -26,-0.3 1,-0.3 2,-0.2 0.464 77.1 135.4 90.7 1.5 -6.8 -9.6 -7.4 85 88 A A < - 0 0 1 -5,-1.9 -1,-0.3 -6,-0.2 -26,-0.2 -0.558 35.5-168.7 -81.3 151.0 -4.8 -9.7 -4.2 86 89 A T + 0 0 70 -28,-1.8 33,-2.5 -2,-0.2 2,-0.3 0.342 61.8 49.4-123.8 4.2 -6.4 -11.4 -1.2 87 90 A W E -de 59 119A 17 -29,-1.2 -27,-2.2 31,-0.2 2,-0.3 -0.952 54.8-159.4-136.5 158.6 -4.1 -10.4 1.7 88 91 A V E -de 60 120A 0 31,-1.5 33,-2.7 -2,-0.3 2,-0.5 -0.991 17.9-135.9-136.8 139.2 -2.4 -7.4 3.3 89 92 A V E - e 0 121A 1 -29,-2.4 2,-0.4 -2,-0.3 33,-0.2 -0.790 30.8-175.6 -87.1 126.4 0.7 -7.3 5.5 90 93 A L E + e 0 122A 0 31,-2.7 33,-2.9 -2,-0.5 -28,-0.1 -0.981 56.1 14.5-130.7 137.6 0.0 -4.9 8.4 91 94 A G S S+ 0 0 0 -2,-0.4 -1,-0.1 1,-0.2 5,-0.1 0.705 73.7 176.4 77.9 19.9 2.3 -3.8 11.2 92 95 A H >> - 0 0 5 -31,-0.2 4,-2.1 1,-0.1 3,-1.0 -0.270 43.6-111.6 -56.2 145.7 5.5 -5.0 9.7 93 96 A S H 3> S+ 0 0 6 1,-0.3 4,-2.8 2,-0.2 5,-0.4 0.819 117.8 55.8 -51.8 -37.4 8.5 -4.1 11.8 94 97 A E H 3>>S+ 0 0 22 2,-0.2 4,-1.9 1,-0.2 5,-1.4 0.881 107.5 47.5 -66.8 -36.4 9.8 -1.8 9.1 95 98 A R H <45S+ 0 0 9 -3,-1.0 6,-2.5 3,-0.2 -2,-0.2 0.899 116.7 45.0 -68.7 -38.6 6.5 0.2 9.1 96 99 A R H <5S+ 0 0 21 -4,-2.1 -2,-0.2 4,-0.2 -1,-0.2 0.900 126.3 27.5 -70.9 -40.1 6.5 0.4 12.9 97 100 A H H <5S+ 0 0 82 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.861 129.6 32.0 -97.6 -40.0 10.2 1.3 13.3 98 101 A V T <5S+ 0 0 65 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.1 0.889 132.1 31.9 -82.1 -41.0 11.3 3.2 10.1 99 102 A F S - 0 0 55 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.295 17.4-113.7 -78.7 163.6 1.6 3.5 15.9 103 106 A D H > S+ 0 0 50 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.888 118.1 55.8 -63.3 -38.5 -0.3 0.5 17.3 104 107 A E H > S+ 0 0 139 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.930 108.1 47.2 -58.4 -48.7 -3.5 2.5 17.1 105 108 A L H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.932 111.7 50.7 -59.2 -47.0 -3.0 3.1 13.4 106 109 A I H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.920 108.6 52.4 -60.5 -41.8 -2.2 -0.6 12.8 107 110 A G H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.897 109.6 48.7 -57.9 -41.9 -5.4 -1.6 14.7 108 111 A Q H X S+ 0 0 72 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.880 110.8 50.9 -68.3 -38.1 -7.4 0.8 12.5 109 112 A K H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.901 109.7 50.8 -64.0 -42.6 -5.8 -0.7 9.4 110 113 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.952 110.8 47.7 -60.0 -49.3 -6.6 -4.2 10.5 111 114 A A H X S+ 0 0 35 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.908 114.9 45.5 -61.0 -42.7 -10.2 -3.4 11.2 112 115 A H H X S+ 0 0 35 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.913 112.1 50.2 -69.2 -42.0 -10.7 -1.7 7.8 113 116 A A H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 4,-0.3 0.923 113.4 46.0 -61.6 -44.6 -8.9 -4.4 5.8 114 117 A L H ><5S+ 0 0 38 -4,-2.4 3,-1.3 -5,-0.2 -1,-0.2 0.902 110.1 53.9 -65.4 -40.9 -11.0 -7.1 7.4 115 118 A A H 3<5S+ 0 0 82 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.829 107.1 52.6 -59.7 -32.1 -14.2 -5.1 6.9 116 119 A E T 3<5S- 0 0 63 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.479 124.0-103.3 -87.1 -2.7 -13.3 -4.8 3.2 117 120 A G T < 5S+ 0 0 25 -3,-1.3 2,-0.2 -4,-0.3 -3,-0.2 0.652 74.8 133.9 92.7 17.3 -12.9 -8.6 2.8 118 121 A L < - 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0 0 42 -2,-0.4 4,-2.0 29,-0.1 3,-0.6 -0.773 50.7 -99.1-125.2 174.8 -11.9 24.3 -11.1 443 214 B G T 34 S+ 0 0 25 -2,-0.2 4,-0.4 1,-0.2 -1,-0.0 0.826 125.9 51.0 -60.0 -30.7 -13.0 24.8 -14.7 444 215 B A T 34 S+ 0 0 99 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.698 119.0 34.1 -81.6 -20.0 -14.5 28.1 -13.5 445 216 B T T <> S+ 0 0 61 -3,-0.6 4,-1.5 2,-0.1 -2,-0.2 0.585 95.7 83.2-109.3 -15.3 -11.4 29.3 -11.8 446 217 B C H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.829 83.2 57.9 -68.0 -34.8 -8.5 28.0 -13.9 447 218 B K H > S+ 0 0 113 -4,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.931 109.4 43.0 -65.0 -45.0 -8.4 30.7 -16.6 448 219 B E H > S+ 0 0 110 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.870 115.6 49.6 -68.7 -36.6 -7.8 33.6 -14.3 449 220 B L H >< S+ 0 0 9 -4,-1.5 3,-1.3 1,-0.2 6,-0.2 0.932 110.0 51.2 -66.0 -43.6 -5.3 31.6 -12.2 450 221 B A H 3< S+ 0 0 11 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.791 100.9 63.3 -64.5 -27.7 -3.4 30.6 -15.4 451 222 B S H 3< S+ 0 0 83 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.704 75.8 109.0 -73.6 -17.7 -3.2 34.2 -16.6 452 223 B Q S X< S- 0 0 32 -3,-1.3 3,-1.3 -4,-0.5 -44,-0.0 -0.386 76.3-129.3 -61.9 133.0 -1.1 35.1 -13.6 453 224 B P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.743 103.3 39.4 -62.0 -26.6 2.5 35.8 -14.8 454 225 B D T 3 S+ 0 0 24 -20,-0.0 2,-0.7 2,-0.0 -19,-0.2 0.411 92.5 93.3-106.8 3.1 4.2 33.5 -12.3 455 226 B V < - 0 0 4 -3,-1.3 -19,-0.2 -6,-0.2 3,-0.1 -0.871 49.0-179.9 -95.1 116.3 1.7 30.7 -12.3 456 227 B D - 0 0 13 -21,-2.7 -220,-2.2 -2,-0.7 2,-0.3 0.220 57.3 -57.3-102.7 10.6 2.9 28.1 -14.8 457 228 B G E -l 236 0D 0 -22,-0.4 -20,-3.0 -222,-0.2 2,-0.3 -0.973 63.5 -74.2 145.3-159.3 0.1 25.6 -14.4 458 229 B F E -lr 237 437D 0 -222,-1.6 -220,-3.0 -2,-0.3 2,-0.6 -0.969 2.6-148.2-141.3 149.4 -1.5 23.4 -11.8 459 230 B L E -l 238 0D 8 -22,-2.2 2,-0.3 -2,-0.3 -220,-0.2 -0.969 41.0-155.5-108.3 107.2 -1.3 20.3 -9.6 460 231 B V E -l 239 0D 2 -222,-3.2 -220,-3.1 -2,-0.6 -20,-0.1 -0.669 15.8-174.1 -92.9 135.8 -5.0 19.5 -9.5 461 232 B G S > S- 0 0 20 -2,-0.3 3,-2.1 -22,-0.3 4,-0.2 0.596 70.2 -0.9 -90.6-113.1 -6.5 17.5 -6.7 462 233 B G G > S+ 0 0 47 1,-0.3 3,-2.3 2,-0.2 4,-0.2 0.822 124.7 62.7 -49.8 -44.7 -10.1 16.3 -6.8 463 234 B A G > S+ 0 0 13 1,-0.3 3,-2.0 -22,-0.3 6,-0.6 0.725 86.7 75.7 -57.0 -20.9 -11.1 17.9 -10.1 464 235 B S G < S+ 0 0 0 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.668 89.7 57.8 -67.9 -13.0 -8.5 15.6 -11.8 465 236 B L G < S+ 0 0 56 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.441 103.0 68.8 -91.9 -0.9 -11.0 12.7 -11.4 466 237 B K S X S- 0 0 121 -3,-2.0 3,-2.0 -4,-0.2 4,-0.3 -0.740 93.0-106.4-119.9 163.3 -13.7 14.6 -13.4 467 238 B P T >> S+ 0 0 98 0, 0.0 3,-1.8 0, 0.0 4,-0.5 0.761 111.4 74.0 -57.5 -25.6 -14.3 15.7 -17.0 468 239 B E H 3> S+ 0 0 58 1,-0.3 4,-1.8 2,-0.2 3,-0.4 0.677 75.5 79.5 -66.0 -13.8 -13.5 19.3 -15.9 469 240 B F H <> S+ 0 0 0 -3,-2.0 4,-2.5 -6,-0.6 -1,-0.3 0.861 87.5 59.0 -56.1 -34.2 -9.8 18.3 -15.7 470 241 B V H <> S+ 0 0 25 -3,-1.8 4,-1.3 -4,-0.3 -1,-0.2 0.886 103.4 50.0 -63.7 -36.5 -9.9 18.7 -19.5 471 242 B D H < S+ 0 0 91 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.2 0.888 109.9 50.8 -67.0 -37.2 -11.0 22.3 -19.1 472 243 B I H >< S+ 0 0 0 -4,-1.8 3,-2.0 1,-0.2 4,-0.2 0.895 104.1 57.1 -68.8 -38.9 -8.1 22.9 -16.7 473 244 B I H 3< S+ 0 0 5 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.875 110.6 46.8 -53.8 -37.2 -5.7 21.3 -19.2 474 245 B N T 3< S+ 0 0 29 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.100 78.2 113.7 -92.9 22.1 -6.9 24.1 -21.5 475 246 B A S < S+ 0 0 2 -3,-2.0 -1,-0.2 2,-0.2 -2,-0.1 0.839 70.3 57.8 -64.6 -34.9 -6.6 26.9 -19.0 476 247 B K 0 0 110 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.875 360.0 360.0 -68.7 -37.2 -3.8 28.8 -20.8 477 248 B Q 0 0 148 -3,-0.2 -2,-0.2 -4,-0.1 -1,-0.2 0.998 360.0 360.0 -40.5 360.0 -6.3 28.9 -23.7