==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 22-JUN-08 2JK2 . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.RODRIGUEZ-ALMAZAN,R.ARREOLA-ALEMON,D.RODRIGUEZ-LARREA, . 491 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19045.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 14.3 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 . 1 0.2 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 . 31 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 31.6 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 6 6 2 0 0 0 0 0 4 2 0 1 0 1 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 0 112 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 101.5 -2.6 -25.8 -20.9 2 5 A K - 0 0 105 1,-0.1 32,-0.1 32,-0.0 31,-0.0 -0.457 360.0-101.4 -68.4 129.0 -0.1 -23.1 -22.0 3 6 A F E -a 34 0A 12 30,-0.8 32,-3.2 -2,-0.2 2,-0.5 -0.250 41.5-158.0 -52.4 129.4 3.2 -23.1 -20.0 4 7 A F E -ab 35 225A 0 220,-2.3 222,-1.9 30,-0.2 2,-0.5 -0.960 14.7-177.3-124.6 120.7 3.1 -20.2 -17.5 5 8 A V E -ab 36 226A 0 30,-3.0 32,-2.3 -2,-0.5 2,-0.4 -0.948 6.3-178.1-123.0 112.2 6.1 -18.5 -15.9 6 9 A G E -ab 37 227A 1 220,-3.0 222,-3.5 -2,-0.5 2,-0.6 -0.879 14.1-152.3-108.7 137.5 5.5 -15.7 -13.3 7 10 A G E -ab 38 228A 1 30,-2.8 32,-3.1 -2,-0.4 2,-0.9 -0.944 4.5-159.6-110.9 114.1 8.2 -13.8 -11.6 8 11 A N E -a 39 0A 2 220,-3.3 224,-0.2 -2,-0.6 225,-0.1 -0.820 7.6-175.0 -93.3 106.3 7.4 -12.4 -8.2 9 12 A W - 0 0 0 30,-2.0 3,-0.2 -2,-0.9 -1,-0.2 0.657 21.6-170.0 -74.4 -12.8 9.8 -9.6 -7.5 10 13 A K - 0 0 40 29,-0.5 2,-1.5 1,-0.2 -1,-0.2 -0.198 59.7 -25.2 50.6-148.3 8.4 -9.2 -3.9 11 14 A M B S+I 316 0B 0 305,-1.7 305,-2.0 30,-0.1 2,-0.3 -0.516 109.0 115.8 -93.6 68.3 9.6 -6.2 -2.0 12 15 A N + 0 0 39 -2,-1.5 303,-0.1 303,-0.2 -3,-0.0 -0.983 43.3 26.9-137.1 148.0 12.8 -5.8 -4.0 13 16 A G - 0 0 13 -2,-0.3 2,-0.2 27,-0.1 3,-0.0 0.055 48.8-127.4 97.9 159.4 14.5 -3.3 -6.3 14 17 A R > - 0 0 50 315,-0.0 4,-2.9 30,-0.0 5,-0.4 -0.790 45.4 -84.0-133.1 177.9 14.6 0.3 -7.2 15 18 A K H > S+ 0 0 57 -2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.893 126.4 48.8 -54.2 -42.4 14.2 2.2 -10.6 16 19 A Q H > S+ 0 0 157 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.972 117.8 36.2 -63.9 -56.7 17.9 1.6 -11.4 17 20 A S H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.886 119.1 50.3 -66.6 -39.3 18.2 -2.1 -10.7 18 21 A L H X S+ 0 0 3 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.840 107.3 54.9 -67.8 -34.8 14.6 -2.8 -12.0 19 22 A G H X S+ 0 0 30 -4,-2.1 4,-2.1 -5,-0.4 -1,-0.2 0.894 109.2 47.8 -59.3 -42.8 15.4 -0.9 -15.2 20 23 A E H X S+ 0 0 125 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.903 111.5 49.9 -67.0 -42.1 18.5 -3.1 -15.8 21 24 A L H X S+ 0 0 13 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.928 110.3 49.9 -59.9 -46.6 16.4 -6.3 -15.1 22 25 A I H X S+ 0 0 2 -4,-2.4 4,-3.0 1,-0.2 31,-0.2 0.895 107.0 56.0 -61.5 -39.4 13.7 -5.1 -17.5 23 26 A G H X S+ 0 0 39 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.939 109.4 46.0 -54.8 -48.8 16.5 -4.5 -20.1 24 27 A T H X S+ 0 0 60 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.899 114.2 47.7 -62.6 -43.0 17.6 -8.1 -19.8 25 28 A L H >< S+ 0 0 4 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.882 109.1 53.2 -66.4 -39.5 14.0 -9.4 -20.0 26 29 A N H 3< S+ 0 0 49 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.844 107.3 52.8 -63.7 -35.0 13.2 -7.3 -23.0 27 30 A A H 3< S+ 0 0 88 -4,-1.7 -1,-0.2 -5,-0.2 2,-0.2 0.656 90.2 100.4 -74.4 -17.6 16.3 -8.7 -24.8 28 31 A A S << S- 0 0 16 -4,-0.7 2,-1.0 -3,-0.7 -3,-0.0 -0.505 76.3-128.4 -74.7 133.6 15.2 -12.3 -24.1 29 32 A K - 0 0 195 -2,-0.2 -1,-0.1 1,-0.0 -2,-0.1 -0.751 28.5-148.8 -78.3 105.7 13.5 -14.2 -26.9 30 33 A V - 0 0 37 -2,-1.0 212,-0.1 -4,-0.1 208,-0.0 -0.685 18.7-112.7 -79.5 125.4 10.3 -15.4 -25.2 31 34 A P > - 0 0 15 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.274 15.1-130.6 -53.6 138.4 9.0 -18.8 -26.5 32 35 A A T 3 S+ 0 0 99 1,-0.3 -2,-0.0 3,-0.1 0, 0.0 0.739 108.6 54.3 -63.6 -24.4 5.7 -18.6 -28.3 33 36 A D T 3 S+ 0 0 80 -31,-0.0 -30,-0.8 2,-0.0 2,-0.4 0.260 97.5 81.0 -94.3 11.7 4.4 -21.5 -26.1 34 37 A T E < -a 3 0A 6 -3,-1.6 2,-0.6 -32,-0.1 -30,-0.2 -0.978 64.1-151.6-126.4 126.2 5.2 -19.7 -22.9 35 38 A E E -a 4 0A 55 -32,-3.2 -30,-3.0 -2,-0.4 2,-0.4 -0.865 19.8-161.3 -93.7 121.4 3.2 -17.0 -21.1 36 39 A V E +a 5 0A 4 -2,-0.6 21,-2.6 19,-0.5 2,-0.4 -0.905 12.6 176.0-114.4 129.6 5.4 -14.7 -19.1 37 40 A V E -ac 6 57A 2 -32,-2.3 -30,-2.8 -2,-0.4 2,-0.4 -0.989 11.7-160.5-133.0 136.8 4.3 -12.4 -16.2 38 41 A C E -ac 7 58A 0 19,-2.4 21,-2.6 -2,-0.4 -30,-0.2 -0.970 5.0-156.7-119.0 137.9 6.3 -10.2 -13.9 39 42 A A E -a 8 0A 3 -32,-3.1 -30,-2.0 -2,-0.4 -29,-0.5 -0.855 17.9-171.5-116.3 94.0 5.0 -8.9 -10.5 40 43 A P - 0 0 0 0, 0.0 21,-0.4 0, 0.0 5,-0.1 -0.291 38.7 -78.6 -77.9 163.7 6.8 -5.7 -9.5 41 44 A P > - 0 0 0 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.311 50.7-107.8 -54.8 149.7 6.5 -3.9 -6.1 42 45 A T G > S+ 0 0 9 279,-0.4 3,-1.3 1,-0.3 4,-0.4 0.837 118.6 58.6 -54.1 -38.4 3.3 -1.8 -6.0 43 46 A A G 3 S+ 0 0 0 1,-0.2 250,-0.4 278,-0.1 -1,-0.3 0.686 111.8 43.7 -62.9 -19.2 5.2 1.5 -6.3 44 47 A Y G <> S+ 0 0 0 -3,-2.2 4,-3.3 2,-0.1 5,-0.3 0.220 76.0 102.6-116.0 10.5 6.6 0.3 -9.6 45 48 A I H <> S+ 0 0 0 -3,-1.3 4,-2.6 -4,-0.3 5,-0.2 0.964 91.9 42.6 -57.7 -49.8 3.7 -1.3 -11.4 46 49 A D H > S+ 0 0 3 -4,-0.4 4,-2.3 244,-0.3 -1,-0.2 0.950 115.8 48.4 -58.5 -56.8 3.3 1.8 -13.6 47 50 A F H > S+ 0 0 22 -4,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.921 113.6 47.5 -48.8 -53.1 7.1 2.1 -14.1 48 51 A A H X S+ 0 0 0 -4,-3.3 4,-3.2 1,-0.2 -1,-0.2 0.904 110.3 50.3 -61.8 -44.7 7.5 -1.6 -15.0 49 52 A R H < S+ 0 0 48 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.901 111.0 50.8 -62.4 -39.2 4.6 -1.7 -17.5 50 53 A Q H < S+ 0 0 131 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.865 118.6 36.6 -63.1 -38.2 6.1 1.4 -19.2 51 54 A K H < S+ 0 0 120 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.807 99.8 88.4 -88.5 -34.4 9.6 -0.2 -19.6 52 55 A L S < S- 0 0 7 -4,-3.2 -29,-0.1 -5,-0.2 6,-0.1 -0.434 84.1-110.8 -69.6 136.5 8.6 -3.8 -20.2 53 56 A D > - 0 0 62 -31,-0.2 3,-2.3 -2,-0.2 -1,-0.1 -0.378 31.1-115.2 -55.3 138.3 8.0 -5.1 -23.8 54 57 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.714 110.0 77.6 -54.7 -20.0 4.3 -5.9 -24.3 55 58 A K T 3 S+ 0 0 76 -29,-0.1 -19,-0.5 2,-0.0 2,-0.4 0.716 90.8 62.9 -61.4 -22.6 5.3 -9.6 -24.8 56 59 A I S < S- 0 0 4 -3,-2.3 -19,-0.2 -21,-0.1 2,-0.2 -0.911 82.4-141.9-106.3 131.9 5.6 -9.7 -21.0 57 60 A A E -c 37 0A 18 -21,-2.6 -19,-2.4 -2,-0.4 2,-0.4 -0.530 10.9-134.1 -88.5 158.3 2.5 -9.1 -18.8 58 61 A V E -c 38 0A 0 26,-0.3 28,-2.5 -21,-0.2 29,-1.2 -0.925 18.2-167.9-115.1 139.2 2.5 -7.2 -15.5 59 62 A A E -d 87 0A 0 -21,-2.6 29,-0.3 -2,-0.4 2,-0.2 -0.958 20.0-127.9-122.0 144.6 0.8 -8.3 -12.3 60 63 A A E -d 88 0A 0 27,-2.5 29,-2.7 -2,-0.4 3,-0.1 -0.601 18.5-134.7 -76.9 153.7 0.1 -6.5 -9.1 61 64 A Q S S- 0 0 0 -21,-0.4 2,-0.3 -2,-0.2 31,-0.2 0.532 80.7 -11.7 -87.1 -6.5 1.3 -8.4 -5.9 62 65 A N - 0 0 10 28,-0.1 2,-0.3 258,-0.1 -1,-0.2 -0.945 61.2-172.8-176.4 162.2 -2.0 -7.8 -4.1 63 66 A C - 0 0 1 -2,-0.3 13,-0.2 26,-0.1 2,-0.1 -0.955 23.5-111.0-155.7 174.5 -5.2 -5.7 -4.3 64 67 A Y - 0 0 15 11,-2.5 49,-0.0 -2,-0.3 -2,-0.0 -0.413 30.1-108.4-103.8-174.3 -8.3 -5.0 -2.2 65 68 A K S S+ 0 0 66 -2,-0.1 2,-0.3 11,-0.1 11,-0.1 0.270 88.8 57.7-108.7 10.4 -11.9 -5.9 -2.7 66 69 A V S S- 0 0 57 9,-0.1 -2,-0.2 1,-0.1 3,-0.1 -0.951 78.0-121.4-136.3 160.5 -13.7 -2.7 -3.7 67 70 A T S S- 0 0 61 -2,-0.3 2,-0.3 1,-0.2 9,-0.2 0.834 91.3 -8.0 -72.6 -35.6 -13.2 -0.3 -6.6 68 71 A N S S+ 0 0 61 191,-0.1 2,-0.3 7,-0.1 -1,-0.2 -0.970 80.9 119.2-154.1 153.7 -12.6 2.8 -4.5 69 72 A G B -J 258 0C 15 189,-2.6 2,-2.0 -2,-0.3 189,-1.8 -0.986 67.1 -53.1 167.8-177.5 -12.9 3.6 -0.8 70 73 A A S S+ 0 0 50 -2,-0.3 2,-0.2 187,-0.2 187,-0.1 -0.490 78.4 125.2 -84.1 67.2 -11.5 4.7 2.6 71 74 A F > - 0 0 44 -2,-2.0 3,-2.3 3,-0.1 -1,-0.1 -0.606 47.6-157.6-130.8 69.5 -8.7 2.1 2.6 72 75 A T T 3 S+ 0 0 0 1,-0.3 3,-0.1 -2,-0.2 -2,-0.1 -0.180 79.5 21.9 -46.2 128.8 -5.5 4.0 3.1 73 76 A G T 3 S+ 0 0 16 1,-0.3 -1,-0.3 184,-0.1 2,-0.2 0.349 104.0 102.6 91.5 -4.3 -2.5 2.0 1.8 74 77 A E < - 0 0 8 -3,-2.3 215,-0.4 234,-0.1 2,-0.3 -0.623 51.6-154.7-107.3 165.8 -4.5 -0.3 -0.5 75 78 A I - 0 0 7 -2,-0.2 -11,-2.5 213,-0.1 -9,-0.1 -0.972 13.4-134.5-134.8 153.8 -5.1 -0.4 -4.3 76 79 A S >> - 0 0 0 -2,-0.3 4,-2.2 -13,-0.2 3,-0.7 -0.668 27.4-109.4-105.1 159.4 -8.0 -1.8 -6.4 77 80 A P H 3> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.880 119.6 60.7 -48.7 -39.9 -8.2 -3.9 -9.5 78 81 A G H 3> S+ 0 0 14 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.870 106.2 45.0 -56.5 -40.3 -9.4 -0.8 -11.3 79 82 A M H <> S+ 0 0 0 -3,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.895 111.2 53.8 -69.2 -41.2 -6.1 1.0 -10.5 80 83 A I H <>S+ 0 0 0 -4,-2.2 5,-1.9 1,-0.2 3,-0.4 0.941 111.9 43.5 -59.7 -49.4 -4.1 -2.1 -11.5 81 84 A K H ><5S+ 0 0 105 -4,-2.8 3,-1.8 1,-0.2 -1,-0.2 0.873 109.0 58.9 -60.5 -39.3 -5.8 -2.2 -14.9 82 85 A D H 3<5S+ 0 0 59 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.801 103.3 52.6 -62.1 -30.8 -5.4 1.6 -15.2 83 86 A C T 3<5S- 0 0 5 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.391 124.4-105.7 -85.1 0.3 -1.6 1.1 -14.8 84 87 A G T < 5S+ 0 0 33 -3,-1.8 -26,-0.3 1,-0.3 -3,-0.2 0.493 74.9 138.2 89.4 4.9 -1.7 -1.5 -17.7 85 88 A A < - 0 0 3 -5,-1.9 -1,-0.3 -6,-0.2 -26,-0.2 -0.512 34.0-169.2 -78.6 151.1 -1.3 -4.6 -15.5 86 89 A T + 0 0 71 -28,-2.5 33,-2.2 -2,-0.2 2,-0.3 0.370 62.0 46.7-124.9 1.7 -3.4 -7.6 -16.4 87 90 A W E -de 59 119A 17 -29,-1.2 -27,-2.5 31,-0.2 2,-0.3 -0.946 55.9-157.6-137.1 159.4 -3.0 -9.9 -13.4 88 91 A V E -de 60 120A 0 31,-1.6 33,-2.5 -2,-0.3 2,-0.5 -0.990 17.7-135.4-135.9 138.7 -3.0 -9.9 -9.6 89 92 A V E - e 0 121A 1 -29,-2.7 2,-0.4 -2,-0.3 33,-0.2 -0.790 31.4-175.4 -85.5 125.7 -1.3 -12.3 -7.2 90 93 A L E + e 0 122A 1 31,-2.7 33,-2.8 -2,-0.5 -28,-0.1 -0.975 55.7 15.4-128.9 139.9 -3.8 -13.2 -4.4 91 94 A G S S+ 0 0 0 -2,-0.4 -1,-0.1 1,-0.2 5,-0.1 0.649 73.3 176.8 78.0 16.2 -3.3 -15.3 -1.3 92 95 A H >> - 0 0 6 -31,-0.2 4,-2.2 1,-0.1 3,-0.8 -0.226 41.7-116.1 -51.5 141.6 0.4 -15.3 -1.4 93 96 A S H 3> S+ 0 0 7 1,-0.3 4,-2.7 2,-0.2 5,-0.4 0.816 116.2 57.4 -52.7 -34.1 1.9 -17.2 1.7 94 97 A E H 3>>S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 5,-1.2 0.918 108.0 46.0 -65.6 -40.6 3.5 -13.9 2.8 95 98 A R H <45S+ 0 0 8 -3,-0.8 6,-2.1 3,-0.2 4,-0.3 0.898 116.3 46.6 -64.4 -43.0 0.1 -12.2 2.9 96 99 A R H <5S+ 0 0 20 -4,-2.2 4,-0.3 4,-0.2 -2,-0.2 0.902 125.8 26.5 -65.0 -42.3 -1.5 -15.1 4.7 97 100 A H H <5S+ 0 0 78 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.859 128.7 34.5-101.5 -38.5 1.2 -15.6 7.3 98 101 A V T <5S+ 0 0 70 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.1 0.896 131.8 30.4 -79.7 -41.2 3.0 -12.2 7.8 99 102 A F S - 0 0 61 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.368 16.0-117.3 -79.7 158.2 -7.9 -14.7 5.9 103 106 A D H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.880 117.2 54.2 -58.3 -39.9 -9.2 -17.2 3.4 104 107 A E H > S+ 0 0 117 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.944 109.9 45.5 -59.9 -49.5 -12.6 -15.3 3.4 105 108 A L H > S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.910 112.3 51.6 -61.4 -45.1 -10.8 -12.0 2.6 106 109 A I H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.912 108.6 52.3 -58.3 -43.1 -8.7 -13.7 -0.1 107 110 A G H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.906 108.6 49.2 -61.0 -43.5 -11.9 -15.2 -1.7 108 111 A Q H X S+ 0 0 63 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.861 110.2 51.6 -66.1 -34.2 -13.6 -11.8 -1.8 109 112 A K H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.905 109.2 50.9 -65.3 -42.5 -10.5 -10.3 -3.4 110 113 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.943 110.5 48.6 -58.9 -49.6 -10.6 -13.0 -6.0 111 114 A A H X S+ 0 0 34 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.905 114.9 45.0 -58.5 -44.3 -14.3 -12.4 -6.8 112 115 A H H X S+ 0 0 27 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.923 112.0 50.1 -68.1 -45.5 -13.7 -8.6 -7.2 113 116 A A H <>S+ 0 0 0 -4,-2.9 5,-2.5 1,-0.2 -2,-0.2 0.913 114.0 46.1 -59.0 -43.1 -10.5 -8.9 -9.3 114 117 A L H ><5S+ 0 0 39 -4,-2.3 3,-1.4 -5,-0.2 -1,-0.2 0.909 110.6 52.4 -68.6 -40.4 -12.3 -11.3 -11.6 115 118 A A H 3<5S+ 0 0 75 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.843 108.1 53.3 -61.0 -34.4 -15.4 -9.1 -11.8 116 119 A E T 3<5S- 0 0 75 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.357 123.4-103.3 -87.8 4.9 -13.2 -6.2 -12.7 117 120 A G T < 5S+ 0 0 31 -3,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.659 75.8 133.4 88.7 17.5 -11.6 -8.0 -15.6 118 121 A L < - 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0 0 40 -5,-1.7 4,-2.1 1,-0.1 -1,-0.2 -0.957 28.6-108.5-171.6 161.4 11.3 18.0 25.7 442 198 B D H > S+ 0 0 113 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.892 119.4 52.7 -58.1 -44.4 10.2 21.6 25.8 443 199 B A H > S+ 0 0 67 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.891 108.7 48.0 -64.0 -42.7 11.8 22.2 22.4 444 200 B V H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 111.0 52.2 -66.2 -40.6 10.0 19.2 20.8 445 201 B A H < S+ 0 0 6 -4,-2.1 -2,-0.2 -9,-0.2 -1,-0.2 0.934 112.9 44.5 -59.3 -44.6 6.7 20.4 22.2 446 202 B Q H < S+ 0 0 95 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.837 121.4 37.1 -68.2 -34.4 7.1 23.9 20.8 447 203 B S H < S+ 0 0 60 -4,-1.9 2,-0.4 -5,-0.2 -198,-0.2 0.697 90.3 98.1 -98.1 -22.3 8.3 22.8 17.4 448 204 B T < - 0 0 3 -4,-2.2 2,-0.4 -5,-0.2 -43,-0.1 -0.527 67.2-134.5 -77.7 125.7 6.2 19.7 16.5 449 205 B R - 0 0 26 -45,-0.5 -43,-2.3 -2,-0.4 2,-0.6 -0.635 15.2-165.2 -79.9 129.2 3.2 20.2 14.4 450 206 B I E -q 406 0D 0 -2,-0.4 21,-2.7 19,-0.2 22,-0.4 -0.971 14.5-166.3-116.4 109.2 0.1 18.4 15.6 451 207 B I E -q 407 0D 0 -45,-3.0 -43,-2.7 -2,-0.6 2,-0.5 -0.678 19.9-117.1-101.3 152.7 -2.5 18.4 12.8 452 208 B Y E -qr 408 473D 5 20,-2.7 22,-2.1 -2,-0.3 -43,-0.2 -0.786 24.6-179.2 -94.8 127.2 -6.2 17.5 12.9 453 209 B G + 0 0 12 -45,-3.6 -44,-0.2 -2,-0.5 3,-0.1 0.120 49.3 99.2-114.4 16.6 -7.3 14.4 11.0 454 210 B G S S- 0 0 5 -46,-0.3 22,-0.2 1,-0.2 20,-0.1 -0.192 92.4 -40.6 -85.5-171.9 -11.1 14.5 11.7 455 211 B S - 0 0 95 -45,-0.2 2,-0.4 20,-0.1 -1,-0.2 -0.317 65.4-179.5 -57.7 124.6 -13.8 15.8 9.5 456 212 B V + 0 0 12 -3,-0.1 2,-0.3 -2,-0.1 22,-0.3 -0.996 5.1 170.9-133.4 124.0 -12.6 19.1 7.8 457 213 B T >> - 0 0 43 -2,-0.4 4,-1.7 29,-0.1 3,-1.0 -0.825 49.1-105.0-122.5 165.7 -14.6 21.2 5.4 458 214 B G T 34 S+ 0 0 26 -2,-0.3 4,-0.4 1,-0.2 -1,-0.0 0.817 123.0 53.7 -55.0 -31.4 -14.1 24.7 3.9 459 215 B A T 34 S+ 0 0 83 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.649 117.5 33.4 -81.3 -16.8 -16.8 25.9 6.3 460 216 B T T <> S+ 0 0 47 -3,-1.0 4,-1.5 2,-0.1 -2,-0.2 0.527 94.1 85.5-114.9 -8.8 -15.1 24.5 9.4 461 217 B C H X S+ 0 0 1 -4,-1.7 4,-2.4 1,-0.2 5,-0.1 0.807 85.3 56.5 -70.3 -30.7 -11.3 24.8 8.6 462 218 B K H > S+ 0 0 102 -4,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.954 109.0 44.1 -63.9 -52.2 -11.0 28.5 9.8 463 219 B E H 4 S+ 0 0 91 1,-0.2 4,-0.3 -4,-0.2 -1,-0.2 0.838 116.8 48.5 -61.7 -36.6 -12.3 27.9 13.4 464 220 B L H >< S+ 0 0 8 -4,-1.5 3,-1.1 1,-0.2 -1,-0.2 0.898 109.9 50.2 -70.4 -42.2 -10.2 24.7 13.6 465 221 B A H 3< S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.707 103.6 60.0 -70.5 -23.0 -7.0 26.4 12.3 466 222 B S T 3< S+ 0 0 86 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.558 77.7 110.5 -83.4 -8.5 -7.3 29.2 14.8 467 223 B Q S X S- 0 0 37 -3,-1.1 3,-1.6 -4,-0.3 -44,-0.0 -0.520 78.1-124.0 -67.3 131.2 -7.1 26.8 17.8 468 224 B P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.742 104.5 35.0 -49.7 -36.5 -3.8 27.4 19.6 469 225 B D T 3 S+ 0 0 22 -20,-0.0 2,-0.6 -43,-0.0 -19,-0.2 0.279 92.6 97.1-110.7 10.1 -2.5 23.8 19.4 470 226 B V < + 0 0 1 -3,-1.6 -19,-0.2 -6,-0.2 3,-0.1 -0.903 45.9 178.6 -99.4 115.6 -3.9 22.8 15.9 471 227 B D - 0 0 8 -21,-2.7 -220,-2.1 -2,-0.6 2,-0.3 0.217 56.7 -55.9-106.6 11.8 -1.1 23.3 13.4 472 228 B G E -l 251 0D 0 -22,-0.4 -20,-2.7 -222,-0.2 2,-0.3 -0.977 63.5 -73.0 145.3-156.7 -2.9 22.1 10.2 473 229 B F E -lr 252 452D 0 -222,-1.9 -220,-3.0 -2,-0.3 2,-0.5 -0.954 2.1-149.1-143.4 149.4 -4.8 19.2 8.8 474 230 B L E -l 253 0D 9 -22,-2.1 2,-0.4 -2,-0.3 -220,-0.2 -0.949 40.5-155.4-113.8 102.6 -4.7 15.7 7.4 475 231 B V E -l 254 0D 2 -222,-3.3 -220,-3.2 -2,-0.5 -20,-0.1 -0.654 16.5-175.3 -90.4 131.1 -7.6 15.9 5.0 476 232 B G S > S- 0 0 22 -2,-0.4 3,-2.2 -22,-0.2 4,-0.3 0.653 71.3 -0.8 -85.5-114.1 -9.6 12.9 3.9 477 233 B G G > S+ 0 0 51 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.778 125.5 62.0 -51.8 -37.9 -12.4 13.1 1.3 478 234 B A G > S+ 0 0 11 1,-0.3 3,-1.2 -22,-0.3 6,-0.6 0.692 88.2 74.8 -65.6 -15.9 -12.2 16.9 0.8 479 235 B S G < S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.710 90.8 57.1 -68.4 -17.9 -8.6 16.3 -0.5 480 236 B L G < S+ 0 0 59 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.564 105.8 59.3 -87.0 -10.8 -10.1 14.9 -3.7 481 237 B K S X S- 0 0 111 -3,-1.2 3,-2.5 -4,-0.3 4,-0.3 -0.733 95.9 -99.8-120.6 164.8 -12.0 18.1 -4.4 482 238 B P T >> S+ 0 0 93 0, 0.0 3,-1.5 0, 0.0 4,-0.8 0.720 111.7 79.5 -49.7 -24.6 -11.4 21.9 -5.0 483 239 B E H 3> S+ 0 0 55 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.721 76.3 73.6 -56.1 -24.8 -12.4 22.4 -1.4 484 240 B F H <> S+ 0 0 0 -3,-2.5 4,-2.3 -6,-0.6 -1,-0.3 0.860 90.9 55.9 -57.9 -38.7 -8.9 21.3 -0.5 485 241 B V H <> S+ 0 0 29 -3,-1.5 4,-1.8 -4,-0.3 -1,-0.2 0.909 104.5 52.1 -62.4 -44.0 -7.6 24.6 -1.7 486 242 B D H < S+ 0 0 92 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.933 110.2 49.6 -54.6 -45.0 -10.0 26.4 0.8 487 243 B I H >< S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.881 104.8 56.7 -64.7 -39.4 -8.5 24.2 3.5 488 244 B I H 3< S+ 0 0 12 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.882 108.5 49.7 -55.1 -39.1 -4.9 25.1 2.4 489 245 B N T >< S+ 0 0 38 -4,-1.8 3,-1.1 1,-0.2 -1,-0.3 -0.016 73.4 120.5 -90.2 27.9 -5.9 28.7 3.0 490 246 B A T < S+ 0 0 4 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.753 76.0 48.5 -65.4 -24.7 -7.4 28.1 6.5 491 247 B K T 3 0 0 104 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.494 360.0 360.0 -93.1 -7.1 -5.0 30.6 8.1 492 248 B Q < 0 0 145 -3,-1.1 -2,-0.2 -214,-0.0 -1,-0.2 0.705 360.0 360.0 -82.6 360.0 -5.7 33.3 5.5