==== 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 14-FEB-05 1WYI . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.KINOSHITA . 496 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18842.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 13.9 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 . 41 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.2 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 4 1 7 2 0 0 0 1 1 3 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 5 1 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 . 1 0 0 0 0 0 1 1 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 0 119 0, 0.0 2,-2.4 0, 0.0 201,-0.0 0.000 360.0 360.0 360.0 79.3 36.1 62.5 49.3 2 2 A P + 0 0 84 0, 0.0 2,-0.8 0, 0.0 201,-0.1 -0.324 360.0 169.6 -61.9 73.5 33.3 60.1 50.4 3 3 A S + 0 0 109 -2,-2.4 2,-0.5 2,-0.1 200,-0.1 -0.084 21.0 152.0 -79.4 37.4 31.5 59.9 47.1 4 4 A R - 0 0 36 -2,-0.8 2,-0.3 198,-0.2 3,-0.1 -0.599 49.3-121.2 -74.3 121.4 29.4 57.0 48.5 5 5 A K - 0 0 98 -2,-0.5 32,-0.2 198,-0.1 -1,-0.1 -0.461 33.4-104.5 -67.7 124.4 26.0 56.9 46.8 6 6 A F E -a 37 0A 7 30,-0.9 32,-3.9 -2,-0.3 2,-0.5 -0.194 38.3-154.2 -49.2 131.3 23.2 57.2 49.4 7 7 A F E +ab 38 228A 0 220,-2.1 222,-2.3 30,-0.2 2,-0.5 -0.952 16.2 178.6-119.1 126.1 21.6 53.9 50.0 8 8 A V E -ab 39 229A 0 30,-3.7 32,-2.5 -2,-0.5 2,-0.3 -0.912 4.0-177.3-132.3 107.3 18.1 53.5 51.2 9 9 A G E -ab 40 230A 0 220,-2.5 222,-2.8 -2,-0.5 2,-0.6 -0.745 16.1-147.9-101.5 152.5 16.6 50.0 51.7 10 10 A G E -ab 41 231A 0 30,-2.4 32,-3.1 -2,-0.3 2,-1.3 -0.883 6.9-165.2-122.6 99.4 13.0 49.3 52.8 11 11 A N E +a 42 0A 1 220,-3.3 224,-0.2 -2,-0.6 225,-0.1 -0.659 8.8 179.4 -85.7 91.0 12.7 46.1 54.9 12 12 A W - 0 0 0 -2,-1.3 -1,-0.2 30,-1.1 3,-0.1 0.691 22.3-169.7 -62.7 -15.2 8.9 45.4 54.8 13 13 A K - 0 0 33 29,-0.6 2,-1.3 1,-0.2 -1,-0.2 -0.258 60.7 -21.2 54.5-147.0 9.7 42.4 56.9 14 14 A M B S+H 321 0B 0 307,-1.4 307,-2.0 -3,-0.1 2,-0.3 -0.556 108.6 112.9 -95.4 73.1 6.6 40.1 57.2 15 15 A N + 0 0 35 -2,-1.3 305,-0.1 305,-0.2 2,-0.1 -0.996 47.5 25.1-143.3 144.7 4.0 42.7 56.3 16 16 A G - 0 0 11 -2,-0.3 2,-0.3 303,-0.1 315,-0.1 -0.135 50.8-129.5 94.7 167.5 1.5 43.3 53.6 17 17 A R > - 0 0 46 -2,-0.1 4,-3.6 317,-0.0 5,-0.5 -0.871 49.1 -77.0-145.9 171.9 -0.4 41.5 50.9 18 18 A K H > S+ 0 0 46 -2,-0.3 4,-4.0 1,-0.2 5,-0.3 0.877 129.0 51.2 -40.3 -52.1 -0.7 42.1 47.1 19 19 A Q H > S+ 0 0 161 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.952 118.3 31.5 -53.7 -63.7 -3.3 44.8 47.8 20 20 A S H > S+ 0 0 52 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.855 123.7 49.6 -68.0 -35.1 -1.3 46.9 50.4 21 21 A L H X S+ 0 0 3 -4,-3.6 4,-3.1 2,-0.2 5,-0.3 0.950 110.5 47.9 -70.8 -45.2 2.0 46.0 48.8 22 22 A G H X S+ 0 0 26 -4,-4.0 4,-1.7 -5,-0.5 -2,-0.2 0.897 111.9 52.4 -59.5 -36.4 0.8 46.9 45.3 23 23 A E H X S+ 0 0 141 -4,-2.0 4,-1.3 -5,-0.3 -1,-0.3 0.863 109.8 48.5 -65.4 -36.2 -0.5 50.1 46.7 24 24 A L H X S+ 0 0 9 -4,-1.6 4,-1.8 2,-0.2 3,-0.3 0.930 109.1 51.2 -69.3 -48.6 2.9 50.8 48.3 25 25 A I H X S+ 0 0 2 -4,-3.1 4,-2.9 1,-0.2 31,-0.2 0.830 104.9 60.5 -58.8 -30.5 4.7 50.0 45.1 26 26 A G H X S+ 0 0 34 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.913 102.8 49.7 -64.0 -43.0 2.4 52.5 43.4 27 27 A T H < S+ 0 0 53 -4,-1.3 4,-0.2 -3,-0.3 -2,-0.2 0.907 116.4 40.0 -63.0 -44.8 3.5 55.3 45.6 28 28 A L H >< S+ 0 0 3 -4,-1.8 3,-1.2 2,-0.2 -2,-0.2 0.916 112.5 55.6 -72.7 -42.0 7.2 54.7 45.0 29 29 A N H 3< S+ 0 0 56 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.874 115.1 40.7 -55.8 -36.0 6.6 54.0 41.3 30 30 A A T 3< S+ 0 0 89 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.470 104.0 91.5 -91.4 -1.9 4.9 57.4 41.2 31 31 A A S < S- 0 0 21 -3,-1.2 2,-0.5 -4,-0.2 -3,-0.1 -0.393 76.3-127.1 -86.6 167.8 7.6 59.0 43.4 32 32 A K - 0 0 176 -2,-0.1 -3,-0.1 209,-0.0 3,-0.1 -0.858 22.5-160.1-122.1 95.8 10.7 60.6 42.1 33 33 A V - 0 0 36 -2,-0.5 212,-0.1 -5,-0.2 208,-0.0 -0.535 32.3 -98.3 -76.4 136.7 13.9 59.2 43.8 34 34 A P > - 0 0 14 0, 0.0 3,-2.8 0, 0.0 -1,-0.1 -0.266 23.9-130.4 -54.1 130.4 17.1 61.4 43.7 35 35 A A T 3 S+ 0 0 100 1,-0.3 -2,-0.1 -3,-0.1 3,-0.0 0.575 110.1 57.5 -61.3 -3.9 19.4 60.3 40.9 36 36 A D T 3 S+ 0 0 88 -31,-0.0 -30,-0.9 2,-0.0 2,-0.4 0.278 95.3 76.7-109.1 7.6 22.0 60.3 43.6 37 37 A T E < -a 6 0A 7 -3,-2.8 2,-0.6 -32,-0.2 -30,-0.2 -0.956 67.9-142.8-123.4 142.3 20.3 57.8 45.9 38 38 A E E -a 7 0A 48 -32,-3.9 -30,-3.7 -2,-0.4 2,-0.5 -0.913 20.0-165.0-104.5 117.7 20.0 54.1 45.6 39 39 A V E +a 8 0A 7 -2,-0.6 21,-1.9 19,-0.3 2,-0.4 -0.904 9.4 177.3-110.1 130.0 16.6 52.7 46.7 40 40 A V E -ac 9 60A 2 -32,-2.5 -30,-2.4 -2,-0.5 2,-0.4 -0.976 13.2-156.0-131.3 141.3 16.0 49.0 47.5 41 41 A C E -ac 10 61A 0 19,-2.3 21,-2.7 -2,-0.4 -30,-0.2 -0.972 2.8-158.1-120.2 127.5 12.8 47.2 48.8 42 42 A A E -a 11 0A 3 -32,-3.1 -30,-1.1 -2,-0.4 -29,-0.6 -0.812 19.6-169.1-108.2 93.1 12.9 43.9 50.6 43 43 A P - 0 0 0 0, 0.0 21,-0.3 0, 0.0 5,-0.1 -0.251 37.8 -77.7 -77.2 164.1 9.4 42.3 50.3 44 44 A P > - 0 0 0 0, 0.0 3,-2.4 0, 0.0 4,-0.2 -0.297 54.4-107.2 -54.8 149.1 8.1 39.2 52.2 45 45 A T G > S+ 0 0 8 281,-0.3 3,-1.1 1,-0.3 4,-0.3 0.848 119.9 57.2 -53.3 -35.7 9.7 36.2 50.5 46 46 A A G 3 S+ 0 0 0 1,-0.2 252,-0.3 280,-0.1 -1,-0.3 0.638 109.6 46.3 -70.5 -12.2 6.4 35.2 48.9 47 47 A Y G <> S+ 0 0 0 -3,-2.4 4,-3.2 2,-0.1 -1,-0.2 0.143 75.2 103.9-117.4 18.0 6.2 38.7 47.2 48 48 A I H <> S+ 0 0 0 -3,-1.1 4,-2.4 -4,-0.2 5,-0.1 0.920 91.5 39.6 -64.6 -45.0 9.7 39.1 45.8 49 49 A D H > S+ 0 0 1 246,-0.3 4,-2.6 -4,-0.3 5,-0.2 0.931 116.0 51.4 -69.4 -48.6 8.4 38.3 42.3 50 50 A F H > S+ 0 0 25 -4,-0.3 4,-2.4 1,-0.2 5,-0.3 0.966 113.5 44.9 -52.7 -58.0 5.2 40.2 42.8 51 51 A A H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 -2,-0.2 0.925 112.5 49.6 -54.6 -51.4 7.1 43.3 43.9 52 52 A R H < S+ 0 0 42 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.873 112.0 50.0 -57.6 -37.9 9.8 43.1 41.2 53 53 A Q H < S+ 0 0 121 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.911 120.7 33.9 -68.4 -41.2 7.1 42.8 38.5 54 54 A K H < S+ 0 0 132 -4,-2.4 -2,-0.2 -5,-0.2 2,-0.2 0.706 102.2 97.7 -86.2 -19.9 5.1 45.7 39.8 55 55 A L S < S- 0 0 8 -4,-3.0 6,-0.1 -5,-0.3 -29,-0.1 -0.474 83.3-109.8 -75.7 136.7 8.2 47.6 40.9 56 56 A D > - 0 0 57 -31,-0.2 3,-2.7 -2,-0.2 -1,-0.1 -0.413 28.7-118.3 -63.6 131.6 9.7 50.3 38.6 57 57 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.693 110.7 70.1 -45.5 -19.5 13.0 49.2 37.1 58 58 A K T 3 S+ 0 0 89 -29,-0.1 2,-0.4 2,-0.1 -19,-0.3 0.845 92.7 63.5 -70.2 -31.5 14.7 52.1 38.9 59 59 A I S < S- 0 0 2 -3,-2.7 -19,-0.2 -21,-0.1 2,-0.2 -0.783 82.3-136.3 -96.8 135.3 14.1 50.5 42.3 60 60 A A E -c 40 0A 19 -21,-1.9 -19,-2.3 -2,-0.4 2,-0.4 -0.540 10.5-132.1 -89.5 155.9 15.8 47.2 43.1 61 61 A V E -c 41 0A 0 26,-0.4 28,-1.4 -21,-0.2 29,-1.0 -0.857 21.4-167.8-107.5 141.8 14.2 44.3 44.8 62 62 A A E -i 90 0C 0 -21,-2.7 29,-0.3 -2,-0.4 2,-0.1 -0.989 18.3-130.4-131.0 137.9 15.9 42.5 47.7 63 63 A A E -i 91 0C 0 27,-2.4 29,-2.5 -2,-0.4 3,-0.1 -0.448 15.6-136.5 -78.1 161.9 15.1 39.2 49.4 64 64 A Q S S- 0 0 0 -21,-0.3 2,-0.3 1,-0.2 31,-0.2 0.439 80.0 -15.7 -96.7 0.0 14.9 39.4 53.2 65 65 A N - 0 0 9 28,-0.1 2,-0.3 260,-0.1 -1,-0.2 -0.978 59.2-178.4 177.9 173.1 17.0 36.1 53.4 66 66 A C - 0 0 1 -2,-0.3 13,-0.2 -3,-0.1 2,-0.2 -0.967 27.8 -97.8-175.4 174.7 18.2 33.1 51.6 67 67 A Y - 0 0 18 11,-2.3 49,-0.1 -2,-0.3 -2,-0.0 -0.524 29.2-113.7-104.9 175.7 20.2 29.9 52.1 68 68 A K S S+ 0 0 67 -2,-0.2 2,-0.3 11,-0.1 11,-0.1 0.233 90.0 63.3 -94.1 9.3 23.8 29.0 51.4 69 69 A V S S- 0 0 54 9,-0.1 -2,-0.2 1,-0.1 3,-0.1 -0.968 76.7-127.4-134.9 149.6 23.3 26.4 48.5 70 70 A T S S- 0 0 57 -2,-0.3 2,-0.3 1,-0.2 9,-0.2 0.850 91.3 -8.5 -63.1 -38.4 21.9 26.7 45.0 71 71 A N S S+ 0 0 56 193,-0.1 2,-0.3 7,-0.1 193,-0.2 -0.980 80.4 113.7-155.3 158.4 19.4 23.8 45.5 72 72 A G B -J 263 0D 17 191,-2.8 2,-2.6 -2,-0.3 191,-1.9 -0.933 67.9 -46.3 159.6 176.1 18.7 21.1 48.1 73 73 A A S S+ 0 0 48 -2,-0.3 189,-0.1 189,-0.2 2,-0.1 -0.412 80.0 123.3 -73.4 71.6 16.6 19.4 50.7 74 74 A F > - 0 0 41 -2,-2.6 3,-2.6 3,-0.1 -1,-0.1 -0.477 48.0-157.7-136.2 66.8 15.7 22.6 52.5 75 75 A T T 3 S+ 0 0 0 1,-0.3 3,-0.1 -2,-0.1 188,-0.1 -0.049 79.5 17.2 -42.5 133.4 12.0 23.0 52.7 76 76 A G T 3 S+ 0 0 13 1,-0.3 -1,-0.3 186,-0.1 2,-0.2 0.205 105.7 103.4 86.5 -18.9 10.9 26.6 53.3 77 77 A E < - 0 0 10 -3,-2.6 2,-0.3 236,-0.1 -1,-0.3 -0.598 53.7-157.2 -95.0 159.4 14.3 28.0 52.2 78 78 A I - 0 0 7 -2,-0.2 -11,-2.3 215,-0.1 -9,-0.1 -0.945 12.2-128.7-133.4 154.0 15.2 29.6 48.9 79 79 A S >> - 0 0 0 -2,-0.3 4,-2.1 -9,-0.2 3,-1.4 -0.656 25.9-109.3-105.4 158.9 18.5 30.1 47.1 80 80 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.764 117.1 62.2 -54.1 -27.1 20.3 33.1 45.7 81 81 A G H 3> S+ 0 0 7 2,-0.2 4,-3.0 1,-0.2 -11,-0.1 0.845 105.1 44.8 -69.7 -32.7 19.6 31.7 42.2 82 82 A M H <> S+ 0 0 0 -3,-1.4 4,-1.7 2,-0.2 6,-0.2 0.940 111.2 52.9 -74.6 -47.2 15.9 31.9 42.7 83 83 A I H <>S+ 0 0 0 -4,-2.1 5,-1.9 1,-0.2 3,-0.3 0.910 115.7 41.1 -52.0 -43.7 16.2 35.3 44.2 84 84 A K H ><5S+ 0 0 90 -4,-2.3 3,-3.2 1,-0.2 -2,-0.2 0.952 108.9 60.3 -68.3 -45.4 18.1 36.2 41.0 85 85 A D H 3<5S+ 0 0 54 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.704 103.6 52.4 -52.0 -24.9 15.6 34.2 38.9 86 86 A C T 3<5S- 0 0 5 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.282 124.2-102.5 -97.0 8.8 12.9 36.5 40.2 87 87 A G T < 5S+ 0 0 35 -3,-3.2 -26,-0.4 1,-0.3 2,-0.3 0.460 76.0 140.0 87.1 -1.9 14.8 39.7 39.2 88 88 A A < - 0 0 2 -5,-1.9 -1,-0.3 -6,-0.2 -26,-0.2 -0.641 30.8-174.1 -79.9 134.1 16.0 40.5 42.7 89 89 A T + 0 0 70 -28,-1.4 33,-2.3 -2,-0.3 2,-0.3 0.206 61.9 54.1-109.7 7.3 19.5 41.8 42.8 90 90 A W E -i 62 0C 20 -29,-1.0 -27,-2.4 31,-0.2 2,-0.3 -0.952 55.4-161.7-141.7 162.6 20.0 42.0 46.6 91 91 A V E -i 63 0C 0 31,-0.4 33,-2.6 -2,-0.3 2,-0.5 -0.962 18.8-136.3-146.3 126.5 19.7 39.9 49.7 92 92 A V E -d 124 0A 1 -29,-2.5 2,-0.4 -2,-0.3 33,-0.2 -0.699 32.1-173.4 -81.9 125.2 19.4 41.1 53.3 93 93 A L E +d 125 0A 1 31,-3.4 33,-3.7 -2,-0.5 -28,-0.1 -0.967 55.3 12.4-126.8 141.7 21.7 38.9 55.4 94 94 A G S S+ 0 0 0 -2,-0.4 -1,-0.1 31,-0.2 5,-0.1 0.684 72.8 178.6 78.2 19.0 22.2 38.6 59.1 95 95 A H >> - 0 0 9 -31,-0.2 4,-2.4 -3,-0.2 3,-1.0 -0.252 40.3-117.6 -55.9 140.2 19.1 40.6 60.1 96 96 A S H 3> S+ 0 0 7 1,-0.3 4,-3.1 2,-0.2 5,-0.5 0.850 116.2 56.0 -48.0 -38.2 18.8 40.8 63.8 97 97 A E H 34>S+ 0 0 18 1,-0.2 5,-1.7 2,-0.2 -1,-0.3 0.893 108.6 46.9 -63.0 -38.9 15.5 39.0 63.6 98 98 A R H <45S+ 0 0 7 -3,-1.0 6,-2.7 3,-0.2 -2,-0.2 0.920 117.1 42.8 -68.4 -44.3 17.2 36.1 61.7 99 99 A R H <5S+ 0 0 21 -4,-2.4 -2,-0.2 4,-0.3 -3,-0.2 0.930 130.4 22.4 -67.4 -45.5 20.1 35.9 64.2 100 100 A H T <5S+ 0 0 72 -4,-3.1 3,-0.4 -5,-0.2 -3,-0.2 0.965 127.5 38.3 -88.4 -67.3 18.0 36.3 67.4 101 101 A V T 5S+ 0 0 70 -5,-0.5 -3,-0.2 -4,-0.3 -4,-0.1 0.901 135.6 26.4 -52.8 -42.7 14.4 35.3 66.8 102 102 A F S - 0 0 58 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.399 18.1-115.2 -84.3 161.9 24.7 31.9 63.6 106 106 A D H > S+ 0 0 54 2,-0.2 4,-4.0 1,-0.2 5,-0.2 0.859 115.6 58.0 -64.6 -36.9 27.5 33.9 62.1 107 107 A E H > S+ 0 0 146 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.961 111.9 39.1 -58.4 -53.2 29.0 30.8 60.6 108 108 A L H > S+ 0 0 25 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.919 117.8 50.7 -63.7 -42.2 25.8 30.1 58.7 109 109 A I H X S+ 0 0 2 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.920 108.0 52.7 -62.3 -39.6 25.5 33.8 58.0 110 110 A G H X S+ 0 0 0 -4,-4.0 4,-1.8 1,-0.2 -1,-0.2 0.838 110.0 49.7 -63.4 -31.2 29.1 33.9 56.8 111 111 A Q H X S+ 0 0 63 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.822 108.6 49.8 -77.5 -32.4 28.3 31.1 54.4 112 112 A K H X S+ 0 0 1 -4,-1.9 4,-4.0 2,-0.2 5,-0.3 0.871 110.7 52.5 -71.5 -38.6 25.1 32.7 53.0 113 113 A V H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.939 110.9 45.2 -61.0 -50.1 27.1 35.8 52.4 114 114 A A H X S+ 0 0 36 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.871 119.5 42.7 -63.8 -36.8 29.9 34.0 50.5 115 115 A H H X S+ 0 0 33 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.972 112.5 50.3 -74.5 -54.0 27.3 32.1 48.5 116 116 A A H <>S+ 0 0 0 -4,-4.0 5,-1.7 1,-0.2 -2,-0.2 0.927 115.8 45.4 -46.7 -51.1 24.9 35.0 47.8 117 117 A L H ><5S+ 0 0 25 -4,-2.6 3,-2.4 -5,-0.3 -1,-0.2 0.921 109.6 52.6 -60.9 -46.8 27.9 36.9 46.6 118 118 A A H 3<5S+ 0 0 84 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.876 104.1 60.1 -57.5 -34.3 29.3 34.1 44.5 119 119 A E T 3<5S- 0 0 45 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.425 121.8-109.5 -74.2 2.9 25.8 33.9 43.0 120 120 A G T < 5S+ 0 0 42 -3,-2.4 2,-0.4 1,-0.3 -3,-0.2 0.847 73.6 137.3 73.7 35.3 26.3 37.5 41.8 121 121 A L < - 0 0 1 -5,-1.7 -1,-0.3 -6,-0.2 -31,-0.2 -0.900 56.2-118.3-116.5 143.4 23.8 38.9 44.1 122 122 A G - 0 0 3 -33,-2.3 2,-0.4 -2,-0.4 -31,-0.4 -0.318 31.9-145.9 -69.0 163.6 24.2 42.1 46.1 123 123 A V E - e 0 160A 1 36,-2.7 38,-1.7 -33,-0.2 2,-1.2 -0.920 17.6-157.6-144.3 117.9 24.2 41.7 49.8 124 124 A I E -de 92 161A 2 -33,-2.6 -31,-3.4 -2,-0.4 2,-0.6 -0.766 25.4-159.9 -90.0 98.2 22.9 43.9 52.6 125 125 A A E -de 93 162A 2 36,-2.0 38,-2.2 -2,-1.2 2,-0.4 -0.723 5.3-153.5 -86.3 118.5 24.9 42.5 55.5 126 126 A C E + e 0 163A 0 -33,-3.7 2,-0.3 -2,-0.6 38,-0.2 -0.720 17.8 170.6 -96.2 135.4 23.4 43.3 58.9 127 127 A I E + e 0 164A 1 36,-2.8 38,-3.1 -2,-0.4 -31,-0.2 -0.790 7.8 137.6-132.2 175.3 25.2 43.7 62.1 128 128 A G - 0 0 2 -2,-0.3 2,-0.3 36,-0.2 36,-0.0 -0.436 40.1-113.2 150.0 139.0 24.5 44.8 65.6 129 129 A E - 0 0 0 -2,-0.1 39,-1.1 1,-0.1 38,-0.1 -0.704 32.8-122.1 -95.5 141.3 24.9 44.2 69.3 130 130 A K > - 0 0 76 -2,-0.3 4,-1.6 37,-0.2 38,-0.3 -0.004 36.1 -91.3 -68.2-179.7 22.0 43.2 71.7 131 131 A L H > S+ 0 0 51 36,-0.3 4,-3.0 1,-0.2 5,-0.2 0.935 125.3 46.2 -62.2 -51.0 21.0 45.1 74.8 132 132 A D H > S+ 0 0 95 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.874 111.3 53.4 -62.0 -36.5 23.2 43.2 77.3 133 133 A E H >>S+ 0 0 42 1,-0.2 5,-2.1 2,-0.2 4,-0.8 0.841 112.3 45.5 -66.5 -32.2 26.2 43.5 74.9 134 134 A R H <5S+ 0 0 43 -4,-1.6 3,-0.5 2,-0.2 -2,-0.2 0.900 107.9 56.4 -76.0 -42.0 25.6 47.2 74.8 135 135 A E H <5S+ 0 0 135 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.808 109.1 48.2 -59.3 -30.4 25.2 47.4 78.6 136 136 A A H <5S- 0 0 72 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.742 113.5-117.0 -82.6 -25.0 28.6 45.8 79.0 137 137 A G T <5S+ 0 0 55 -4,-0.8 3,-0.4 -3,-0.5 4,-0.2 0.680 75.7 130.6 92.9 20.8 30.3 48.1 76.5 138 138 A I >< + 0 0 58 -5,-2.1 4,-2.9 1,-0.2 5,-0.4 0.094 27.1 118.7 -89.8 15.5 31.1 45.2 74.1 139 139 A T H > S+ 0 0 14 -6,-0.2 4,-2.7 -5,-0.2 5,-0.2 0.937 78.5 42.2 -49.7 -52.7 29.7 47.1 71.2 140 140 A E H > S+ 0 0 80 -3,-0.4 4,-2.4 2,-0.2 5,-0.3 0.962 115.6 48.6 -59.9 -55.6 33.1 47.1 69.4 141 141 A K H > S+ 0 0 117 -4,-0.2 4,-2.2 2,-0.2 3,-0.4 0.957 116.5 42.4 -47.6 -61.6 33.9 43.5 70.2 142 142 A V H X S+ 0 0 6 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.916 117.7 44.2 -52.8 -53.6 30.5 42.2 69.1 143 143 A V H X S+ 0 0 1 -4,-2.7 4,-1.8 -5,-0.4 -1,-0.2 0.726 112.3 52.6 -69.9 -23.0 30.2 44.3 65.9 144 144 A F H X S+ 0 0 51 -4,-2.4 4,-2.8 -3,-0.4 -1,-0.2 0.883 107.8 51.1 -79.0 -39.9 33.8 43.6 64.9 145 145 A E H X S+ 0 0 92 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.906 114.2 44.6 -61.7 -42.3 33.4 39.8 65.2 146 146 A Q H X S+ 0 0 15 -4,-1.8 4,-1.5 -5,-0.2 -2,-0.2 0.920 115.3 46.2 -69.9 -44.4 30.2 40.0 63.0 147 147 A T H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.889 109.4 56.7 -63.7 -40.1 31.7 42.3 60.4 148 148 A K H X S+ 0 0 100 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.929 105.3 50.1 -57.0 -47.6 34.9 40.1 60.3 149 149 A V H X S+ 0 0 33 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.869 113.2 47.7 -59.7 -34.6 32.8 37.1 59.5 150 150 A I H < S+ 0 0 1 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.884 112.5 48.5 -73.5 -36.3 31.2 39.2 56.8 151 151 A A H >< S+ 0 0 15 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.878 106.0 55.2 -70.7 -40.0 34.6 40.4 55.5 152 152 A D H 3< S+ 0 0 98 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.781 112.2 46.7 -65.2 -23.0 36.2 37.0 55.4 153 153 A N T 3< S+ 0 0 47 -4,-0.8 2,-0.5 -5,-0.3 -1,-0.3 0.194 99.4 82.2-101.7 12.8 33.3 36.0 53.2 154 154 A V < + 0 0 13 -3,-1.8 3,-0.2 1,-0.1 -40,-0.1 -0.951 39.1 164.5-123.1 113.2 33.5 39.0 51.0 155 155 A K S S+ 0 0 196 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.284 79.1 38.6-105.1 7.3 36.1 39.1 48.2 156 156 A D - 0 0 82 1,-0.0 3,-0.5 2,-0.0 -1,-0.3 -0.808 59.5-170.3-159.0 110.8 34.4 42.0 46.5 157 157 A W S > S+ 0 0 25 -2,-0.3 3,-1.1 1,-0.2 -1,-0.0 0.476 74.4 84.3 -85.3 -0.6 32.9 44.9 48.4 158 158 A S T 3 S+ 0 0 87 1,-0.2 -1,-0.2 46,-0.1 -36,-0.0 0.908 92.7 47.2 -64.3 -42.8 31.2 46.4 45.4 159 159 A K T 3 S+ 0 0 109 -3,-0.5 -36,-2.7 -37,-0.1 2,-0.3 0.293 107.4 74.0 -84.4 10.7 28.2 44.1 45.8 160 160 A V E < -e 123 0A 2 -3,-1.1 45,-0.4 -38,-0.2 2,-0.3 -0.914 48.1-178.1-132.0 152.3 27.9 44.8 49.5 161 161 A V E -e 124 0A 0 -38,-1.7 -36,-2.0 -2,-0.3 2,-0.4 -0.972 25.2-127.7-137.4 151.9 26.7 47.4 52.0 162 162 A L E -ef 125 206A 0 43,-3.0 45,-3.3 -2,-0.3 2,-0.5 -0.861 15.9-166.1-104.9 138.5 26.7 47.3 55.7 163 163 A A E -ef 126 207A 0 -38,-2.2 -36,-2.8 -2,-0.4 2,-0.6 -0.977 10.5-150.7-123.3 115.8 23.7 48.0 57.9 164 164 A Y E -ef 127 208A 1 43,-2.5 45,-3.0 -2,-0.5 -36,-0.2 -0.768 9.7-162.4 -89.2 126.4 24.3 48.6 61.6 165 165 A E - 0 0 3 -38,-3.1 2,-2.4 -2,-0.6 3,-0.2 -0.918 13.3-153.9-112.9 111.7 21.4 47.5 63.8 166 166 A P > + 0 0 2 0, 0.0 3,-3.2 0, 0.0 45,-0.1 -0.464 25.2 169.0 -78.3 66.7 21.3 48.9 67.3 167 167 A V G > + 0 0 19 -2,-2.4 3,-1.7 1,-0.3 -36,-0.3 0.769 69.7 72.0 -52.9 -23.9 19.3 45.9 68.5 168 168 A W G 3 S+ 0 0 11 -39,-1.1 -1,-0.3 -38,-0.3 6,-0.2 0.617 99.0 44.9 -68.8 -13.0 20.0 47.3 71.9 169 169 A A G < S+ 0 0 25 -3,-3.2 2,-0.7 4,-0.1 -1,-0.3 0.095 90.2 104.5-115.7 17.5 17.5 50.1 71.3 170 170 A I S < S- 0 0 81 -3,-1.7 -39,-0.1 1,-0.2 5,-0.1 -0.907 107.4 -32.1-104.0 112.7 14.9 47.8 69.8 171 171 A G S S+ 0 0 86 -2,-0.7 -1,-0.2 1,-0.1 -2,-0.1 0.898 112.8 106.9 43.6 55.8 12.1 47.2 72.2 172 172 A T S S- 0 0 45 2,-0.4 -1,-0.1 -3,-0.2 3,-0.1 0.514 92.8-104.8-133.5 -19.3 14.4 47.5 75.2 173 173 A G S S+ 0 0 69 1,-0.5 2,-0.4 -4,-0.1 -4,-0.1 0.561 88.6 109.8 97.9 9.9 13.6 50.9 76.8 174 174 A K - 0 0 99 -6,-0.2 -1,-0.5 2,-0.0 2,-0.4 -0.926 56.5-148.8-117.8 144.4 16.8 52.4 75.4 175 175 A T - 0 0 117 -2,-0.4 2,-0.5 -3,-0.1 -5,-0.1 -0.941 7.8-140.4-117.5 136.7 16.8 55.0 72.7 176 176 A A - 0 0 29 -2,-0.4 35,-0.0 -7,-0.2 -7,-0.0 -0.860 15.3-153.1-101.0 122.6 19.6 55.4 70.1 177 177 A T > - 0 0 51 -2,-0.5 4,-0.9 1,-0.1 5,-0.1 -0.479 27.6-113.1 -88.9 161.4 20.6 58.9 69.2 178 178 A P H > S+ 0 0 22 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.798 115.3 57.6 -65.2 -25.0 22.1 59.9 65.8 179 179 A Q H > S+ 0 0 118 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.951 107.8 43.2 -70.1 -50.3 25.4 60.7 67.6 180 180 A Q H > S+ 0 0 44 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.678 110.7 60.3 -69.7 -12.1 25.9 57.3 69.0 181 181 A A H X S+ 0 0 2 -4,-0.9 4,-2.1 2,-0.2 3,-0.3 0.954 107.9 42.1 -74.0 -51.4 24.7 56.1 65.6 182 182 A Q H X S+ 0 0 13 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.892 107.0 63.5 -57.9 -44.2 27.7 57.8 64.0 183 183 A E H X S+ 0 0 82 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.891 109.0 40.6 -47.5 -48.6 30.0 56.6 66.8 184 184 A V H X S+ 0 0 2 -4,-1.2 4,-2.1 -3,-0.3 -1,-0.2 0.881 113.0 51.5 -70.4 -43.9 29.3 53.0 65.7 185 185 A H H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.856 107.0 58.8 -63.4 -30.5 29.5 53.7 62.0 186 186 A E H X S+ 0 0 95 -4,-3.0 4,-2.4 2,-0.2 3,-0.3 0.959 106.9 43.3 -59.2 -57.4 32.8 55.3 62.7 187 187 A K H X S+ 0 0 86 -4,-1.5 4,-2.8 1,-0.2 -1,-0.2 0.883 112.1 55.4 -57.6 -42.0 34.4 52.2 64.2 188 188 A L H X S+ 0 0 2 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.833 111.1 43.1 -63.2 -34.6 32.9 50.1 61.4 189 189 A R H X S+ 0 0 26 -4,-1.8 4,-2.5 -3,-0.3 -1,-0.2 0.843 114.2 52.4 -78.7 -30.7 34.5 52.2 58.8 190 190 A G H X S+ 0 0 38 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.848 107.2 52.5 -69.2 -34.1 37.7 52.2 61.0 191 191 A W H X S+ 0 0 27 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.887 112.1 46.0 -66.7 -41.7 37.5 48.4 61.1 192 192 A L H X>S+ 0 0 0 -4,-1.5 4,-4.6 2,-0.2 5,-0.6 0.980 110.9 49.0 -66.1 -57.9 37.3 48.2 57.3 193 193 A K H <5S+ 0 0 116 -4,-2.5 5,-0.2 1,-0.2 -1,-0.2 0.893 121.4 38.5 -47.9 -45.8 40.1 50.7 56.5 194 194 A S H <5S+ 0 0 95 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.882 128.6 29.3 -76.6 -41.4 42.3 48.8 59.0 195 195 A N H <5S+ 0 0 95 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.704 137.2 19.9 -94.4 -21.6 41.3 45.2 58.3 196 196 A V T <5S- 0 0 51 -4,-4.6 2,-0.3 -5,-0.3 -3,-0.2 0.723 115.4 -66.7-107.0 -82.4 40.3 45.5 54.6 197 197 A S >< - 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0 0 11 -2,-0.3 2,-0.3 27,-0.1 3,-0.1 0.003 53.9-132.8 79.9 169.7 14.1 24.6 40.4 266 17 B R >> - 0 0 44 1,-0.1 4,-3.3 -181,-0.0 5,-0.5 -0.851 45.9 -75.6-149.0 174.9 13.7 28.1 38.9 267 18 B K H >5S+ 0 0 52 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.937 131.5 45.1 -45.0 -61.1 11.0 29.6 36.7 268 19 B Q H >5S+ 0 0 132 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.940 120.3 39.7 -46.1 -64.0 12.2 27.8 33.6 269 20 B S H >5S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.955 120.9 42.9 -49.7 -62.8 12.6 24.5 35.3 270 21 B L H X5S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.2 -1,-0.2 0.756 110.5 58.9 -58.4 -28.7 9.4 24.8 37.4 271 22 B G H XX S+ 0 0 63 -4,-1.1 3,-3.2 2,-0.2 4,-0.6 0.983 107.4 46.9 -67.5 -61.5 3.3 19.0 32.5 277 28 B L H >< S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.3 -2,-0.2 0.820 106.0 62.9 -52.3 -32.0 1.0 18.5 35.5 278 29 B N T 3< S+ 0 0 67 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.691 105.5 45.3 -66.6 -18.0 -1.4 20.9 33.8 279 30 B A T <4 S+ 0 0 88 -3,-3.2 2,-0.6 -4,-0.2 -1,-0.3 0.426 96.3 97.2-101.6 -3.3 -1.6 18.3 31.0 280 31 B A S << S- 0 0 17 -3,-1.1 2,-0.2 -4,-0.6 -4,-0.0 -0.784 78.9-126.5 -92.4 121.0 -1.9 15.5 33.6 281 32 B K - 0 0 163 -2,-0.6 -2,-0.1 1,-0.1 -3,-0.0 -0.473 18.3-141.7 -67.7 128.5 -5.5 14.4 34.3 282 33 B V - 0 0 40 -2,-0.2 -1,-0.1 -4,-0.1 2,-0.1 -0.826 15.1-137.2 -97.7 103.7 -6.3 14.6 38.0 283 34 B P > - 0 0 21 0, 0.0 3,-3.0 0, 0.0 0, 0.0 -0.336 10.4-133.0 -60.8 132.2 -8.5 11.6 39.1 284 35 B A T 3 S+ 0 0 91 1,-0.3 -2,-0.0 -2,-0.1 -29,-0.0 0.738 107.6 69.7 -57.8 -20.7 -11.3 12.6 41.4 285 36 B D T 3 S+ 0 0 118 -31,-0.1 -30,-1.7 2,-0.0 -1,-0.3 0.528 102.9 55.7 -74.4 -3.4 -10.2 9.6 43.4 286 37 B T E < -k 255 0E 14 -3,-3.0 2,-0.4 -32,-0.2 -30,-0.2 -0.902 63.7-153.6-133.1 158.3 -7.1 11.7 44.2 287 38 B E E -k 256 0E 47 -32,-2.4 -30,-2.1 -2,-0.3 2,-0.3 -0.919 21.3-167.9-132.6 104.4 -6.1 15.0 45.7 288 39 B V E -k 257 0E 3 -2,-0.4 21,-1.7 19,-0.3 2,-0.4 -0.744 6.3-178.5 -99.2 141.2 -2.8 16.4 44.4 289 40 B V E -km 258 309E 2 -32,-2.6 -30,-3.3 -2,-0.3 2,-0.5 -0.999 13.2-154.0-139.2 135.8 -0.8 19.3 45.9 290 41 B C E -km 259 310E 0 19,-2.6 21,-2.0 -2,-0.4 -30,-0.2 -0.945 3.3-160.3-114.6 123.0 2.5 20.9 44.9 291 42 B A E -k 260 0E 4 -32,-3.1 -30,-1.5 -2,-0.5 -29,-0.6 -0.837 17.2-172.3-103.2 96.1 4.6 22.7 47.5 292 43 B P - 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