==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)12-OCT-94 1HTI . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.C.MANDE,W.G.J.HOL . 496 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18998.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 371 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 14.7 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 . 42 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 15.3 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 . 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 2 6 3 3 0 0 0 1 0 3 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 4 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 1 A A 0 0 137 0, 0.0 2,-0.1 0, 0.0 201,-0.0 0.000 360.0 360.0 360.0 144.4 3.6 34.9 -23.2 2 2 A P - 0 0 65 0, 0.0 201,-0.1 0, 0.0 200,-0.0 -0.412 360.0-146.3 -97.5 170.9 3.8 31.1 -23.0 3 3 A S + 0 0 135 199,-0.3 2,-0.7 -2,-0.1 199,-0.0 -0.542 50.1 156.5-117.6 51.4 3.3 27.8 -24.8 4 4 A R - 0 0 30 200,-0.1 2,-0.3 3,-0.0 200,-0.1 -0.806 41.8-133.9 -85.7 112.2 2.4 26.4 -21.3 5 5 A K - 0 0 86 -2,-0.7 2,-0.2 1,-0.1 32,-0.2 -0.589 24.9-109.5 -72.5 134.1 0.2 23.4 -22.1 6 6 A F E -a 37 0A 3 30,-1.3 32,-2.8 -2,-0.3 2,-0.4 -0.528 37.2-161.8 -71.8 131.7 -2.9 23.5 -20.0 7 7 A F E +ab 38 228A 0 220,-2.8 222,-0.7 -2,-0.2 2,-0.3 -0.915 17.4 167.9-111.7 140.8 -2.7 20.7 -17.5 8 8 A V E +ab 39 229A 0 30,-2.4 32,-1.2 -2,-0.4 2,-0.3 -0.780 8.0 179.8-156.4 109.8 -5.7 19.3 -15.5 9 9 A G E -ab 40 230A 1 220,-2.4 222,-2.2 -2,-0.3 2,-0.5 -0.830 19.6-136.9-106.9 153.6 -5.4 16.1 -13.6 10 10 A G E -ab 41 231A 1 30,-2.9 32,-3.1 -2,-0.3 2,-0.8 -0.908 5.4-155.4-111.7 127.3 -8.1 14.3 -11.6 11 11 A N E -a 42 0A 2 220,-2.9 224,-0.2 -2,-0.5 225,-0.1 -0.879 7.3-173.5 -97.9 108.2 -7.3 12.9 -8.2 12 12 A W - 0 0 1 30,-1.5 2,-0.2 -2,-0.8 -1,-0.2 0.762 24.0-165.2 -72.5 -22.2 -9.9 10.1 -7.6 13 13 A K - 0 0 30 29,-0.7 2,-1.3 1,-0.1 -1,-0.2 -0.468 58.1 -27.3 68.5-138.8 -8.5 9.6 -4.0 14 14 A M B S+I 321 0B 0 307,-2.6 307,-2.7 -2,-0.2 2,-0.4 -0.727 108.8 125.1-105.9 79.1 -9.5 6.4 -2.1 15 15 A N + 0 0 41 -2,-1.3 305,-0.1 305,-0.2 2,-0.1 -0.951 41.4 20.0-150.8 121.7 -12.6 6.2 -4.2 16 16 A G - 0 0 10 -2,-0.4 2,-0.3 27,-0.1 -1,-0.0 -0.097 45.7-128.4 120.0 162.5 -14.1 3.7 -6.3 17 17 A R > - 0 0 46 -2,-0.1 4,-2.1 317,-0.0 5,-0.3 -0.824 50.7 -85.7-129.8 174.7 -14.3 0.1 -7.2 18 18 A K H > S+ 0 0 54 -2,-0.3 4,-0.8 1,-0.2 5,-0.1 0.614 120.7 55.6 -64.6 -13.2 -14.0 -1.4 -10.8 19 19 A Q H > S+ 0 0 167 3,-0.1 4,-2.4 2,-0.1 -1,-0.2 0.961 116.1 33.6 -76.1 -60.1 -17.8 -1.0 -11.7 20 20 A S H > S+ 0 0 56 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.876 120.4 48.8 -59.0 -43.6 -18.0 2.7 -11.1 21 21 A L H X S+ 0 0 1 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.940 110.4 51.1 -71.0 -45.6 -14.5 3.6 -12.1 22 22 A G H X S+ 0 0 18 -4,-0.8 4,-2.5 -5,-0.3 -1,-0.2 0.915 109.0 53.4 -57.0 -43.1 -14.8 1.6 -15.3 23 23 A E H X S+ 0 0 151 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.968 111.2 44.8 -59.8 -46.3 -18.0 3.6 -15.9 24 24 A L H X S+ 0 0 14 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.960 108.4 56.2 -66.1 -41.3 -16.2 6.9 -15.4 25 25 A I H X S+ 0 0 2 -4,-2.9 4,-1.4 1,-0.2 31,-0.2 0.932 105.6 56.4 -52.3 -40.8 -13.3 5.7 -17.6 26 26 A G H >X S+ 0 0 39 -4,-2.5 4,-0.9 2,-0.2 3,-0.8 0.920 109.6 40.9 -53.5 -55.1 -16.0 5.2 -20.3 27 27 A T H >X S+ 0 0 61 -4,-1.7 3,-1.8 1,-0.2 4,-1.2 0.964 112.5 56.6 -56.1 -52.5 -17.3 8.7 -20.2 28 28 A L H 3< S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.609 106.2 50.6 -52.0 -30.3 -13.8 10.1 -20.0 29 29 A N H << S+ 0 0 49 -4,-1.4 -1,-0.3 -3,-0.8 -2,-0.2 0.534 108.3 48.9 -84.2 -26.1 -12.8 8.2 -23.3 30 30 A A H << S+ 0 0 93 -3,-1.8 -2,-0.2 -4,-0.9 -1,-0.1 0.477 97.3 91.3 -92.7 -12.3 -15.7 9.4 -25.4 31 31 A A S < S- 0 0 17 -4,-1.2 2,-0.4 -5,-0.2 -3,-0.0 -0.421 77.2-132.5 -65.9 158.9 -14.9 12.9 -24.2 32 32 A K - 0 0 163 -2,-0.1 -2,-0.1 209,-0.1 -3,-0.1 -0.986 10.3-146.8-123.4 125.9 -12.4 15.0 -26.4 33 33 A V - 0 0 41 -2,-0.4 212,-0.1 1,-0.1 2,-0.1 -0.592 24.9-112.3 -81.8 142.7 -9.5 16.9 -24.9 34 34 A P - 0 0 14 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.258 24.1-116.7 -52.0 164.4 -8.4 20.1 -26.5 35 35 A A S S+ 0 0 102 1,-0.2 -2,-0.0 -2,-0.1 -30,-0.0 0.697 115.5 55.7 -85.4 -24.7 -5.0 20.2 -28.3 36 36 A D S S+ 0 0 82 -31,-0.1 -30,-1.3 2,-0.0 2,-0.3 0.701 101.3 89.7 -75.9 -20.0 -3.6 22.7 -25.9 37 37 A T E -a 6 0A 7 -32,-0.2 2,-0.5 -3,-0.1 -30,-0.2 -0.581 53.3-164.5-108.8 154.6 -4.5 20.3 -23.0 38 38 A E E -a 7 0A 54 -32,-2.8 -30,-2.4 -2,-0.3 2,-0.4 -0.935 13.3-164.9-122.2 103.0 -3.0 17.5 -21.0 39 39 A V E -a 8 0A 4 -2,-0.5 21,-2.3 19,-0.5 2,-0.4 -0.764 7.7-179.7 -92.6 129.4 -5.3 15.3 -18.8 40 40 A V E -ac 9 60A 3 -32,-1.2 -30,-2.9 -2,-0.4 2,-0.4 -0.975 11.4-153.9-124.9 138.5 -3.9 13.0 -16.1 41 41 A C E -ac 10 61A 0 19,-2.7 21,-1.7 -2,-0.4 -30,-0.2 -0.939 4.5-151.0-112.6 143.4 -6.0 10.7 -13.8 42 42 A A E -a 11 0A 3 -32,-3.1 -30,-1.5 -2,-0.4 -29,-0.7 -0.743 17.0-166.8-111.7 80.5 -5.0 9.5 -10.4 43 43 A P - 0 0 0 0, 0.0 21,-0.5 0, 0.0 2,-0.1 -0.267 37.4 -90.8 -59.6 148.5 -6.4 6.0 -9.5 44 44 A P > - 0 0 0 0, 0.0 3,-3.0 0, 0.0 283,-0.1 -0.479 53.8-106.3 -45.0 128.0 -6.5 4.4 -5.8 45 45 A T G > S+ 0 0 6 281,-0.3 3,-1.1 1,-0.3 4,-0.3 0.662 118.2 66.4 -34.7 -31.4 -3.1 2.5 -5.9 46 46 A A G 3 S+ 0 0 2 1,-0.3 252,-0.4 280,-0.2 -1,-0.3 0.717 105.8 40.1 -69.6 -23.2 -5.0 -0.8 -6.3 47 47 A Y G <> S+ 0 0 0 -3,-3.0 4,-2.5 1,-0.1 -1,-0.3 -0.032 74.8 109.0-117.5 24.2 -6.4 0.1 -9.7 48 48 A I H <> S+ 0 0 0 -3,-1.1 4,-1.5 2,-0.2 5,-0.1 0.851 91.5 41.0 -74.7 -23.2 -3.4 1.8 -11.4 49 49 A D H > S+ 0 0 9 246,-0.4 4,-2.6 -4,-0.3 5,-0.2 0.983 114.9 48.4 -80.6 -53.9 -3.2 -1.4 -13.6 50 50 A F H > S+ 0 0 13 -4,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.857 114.9 47.7 -48.7 -50.5 -6.9 -1.8 -14.2 51 51 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 3,-0.3 0.912 111.0 48.0 -62.2 -49.0 -7.3 1.9 -15.1 52 52 A R H < S+ 0 0 46 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.884 109.4 55.5 -61.4 -36.3 -4.3 2.1 -17.5 53 53 A Q H < S+ 0 0 127 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.932 117.3 33.5 -64.7 -40.7 -5.6 -1.0 -19.2 54 54 A K H < S+ 0 0 120 -4,-1.6 2,-0.3 -3,-0.3 -2,-0.2 0.517 100.0 93.9 -88.5 -9.2 -9.1 0.6 -19.8 55 55 A L S < S- 0 0 10 -4,-1.8 6,-0.1 -5,-0.1 -29,-0.1 -0.620 79.2-111.9 -99.0 145.3 -8.2 4.2 -20.4 56 56 A D > - 0 0 66 -2,-0.3 3,-2.3 -31,-0.2 -1,-0.1 -0.534 26.6-129.6 -59.1 128.2 -7.5 6.0 -23.7 57 57 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.643 105.3 78.0 -55.8 -17.4 -3.7 7.0 -23.9 58 58 A K T 3 S+ 0 0 77 -29,-0.1 -19,-0.5 2,-0.0 2,-0.4 0.499 96.9 56.6 -67.4 -3.4 -4.8 10.5 -24.8 59 59 A I S < S- 0 0 1 -3,-2.3 2,-0.4 -21,-0.1 -19,-0.2 -0.991 89.3-142.5-120.3 131.7 -5.4 10.4 -20.9 60 60 A A E -c 40 0A 18 -21,-2.3 -19,-2.7 -2,-0.4 2,-0.2 -0.802 8.5-130.9 -98.7 139.3 -2.3 9.5 -18.8 61 61 A V E -c 41 0A 0 -2,-0.4 28,-1.8 26,-0.3 29,-0.8 -0.500 24.8-171.7 -87.0 156.7 -2.5 7.5 -15.7 62 62 A A E -d 90 0A 0 -21,-1.7 2,-0.3 26,-0.2 29,-0.2 -0.976 20.2-127.2-142.3 148.2 -0.8 8.7 -12.6 63 63 A A E -d 91 0A 0 27,-2.5 29,-1.7 -2,-0.3 3,-0.1 -0.672 16.4-135.3 -90.9 157.0 -0.2 7.1 -9.2 64 64 A Q S S- 0 0 1 -21,-0.5 2,-0.2 -2,-0.3 31,-0.2 0.405 80.8 -9.1 -87.8 -6.0 -1.3 9.0 -6.1 65 65 A N - 0 0 10 260,-0.1 -1,-0.3 28,-0.1 2,-0.2 -0.798 60.2-174.1-177.4 158.8 2.0 8.4 -4.1 66 66 A C - 0 0 1 -2,-0.2 13,-0.3 -3,-0.1 2,-0.2 -0.909 27.3-105.2-153.7 168.5 5.4 6.3 -4.3 67 67 A Y - 0 0 22 11,-2.3 -2,-0.0 -2,-0.2 7,-0.0 -0.659 27.2-114.8-105.0 169.0 8.5 5.6 -2.0 68 68 A K S S+ 0 0 73 -2,-0.2 2,-0.2 11,-0.1 11,-0.1 0.369 91.7 59.9 -83.0 5.1 12.0 7.0 -2.4 69 69 A V S S- 0 0 49 1,-0.0 -2,-0.2 3,-0.0 3,-0.1 -0.694 81.1-120.5-128.3 166.9 13.8 3.7 -3.1 70 70 A T S S- 0 0 67 1,-0.3 2,-0.3 -2,-0.2 12,-0.2 0.748 90.7 -11.5 -80.5 -37.8 13.4 1.1 -6.0 71 71 A N S S+ 0 0 56 193,-0.1 -1,-0.3 7,-0.1 2,-0.3 -0.926 81.1 127.3-160.5 142.3 12.6 -1.9 -3.9 72 72 A G B -J 263 0C 14 191,-1.3 191,-2.1 -2,-0.3 2,-2.1 -0.999 66.2 -58.9-176.9-173.6 12.7 -2.6 -0.1 73 73 A A S S+ 0 0 43 -2,-0.3 189,-0.1 189,-0.2 188,-0.0 -0.652 78.6 127.6 -90.3 73.5 11.2 -3.8 3.1 74 74 A F > - 0 0 43 -2,-2.1 3,-2.7 3,-0.1 -1,-0.1 -0.554 44.1-163.9-131.5 69.1 8.6 -1.1 2.9 75 75 A T T 3 S+ 0 0 0 1,-0.3 3,-0.1 187,-0.1 188,-0.1 -0.368 81.0 31.7 -50.0 124.3 5.3 -3.1 3.3 76 76 A G T 3 S+ 0 0 18 1,-0.3 -1,-0.3 186,-0.1 238,-0.1 -0.160 102.6 108.4 113.1 -27.4 2.6 -0.8 2.1 77 77 A E < - 0 0 12 -3,-2.7 217,-0.4 -5,-0.1 -1,-0.3 -0.307 46.9-163.5 -93.7 156.1 4.7 0.9 -0.5 78 78 A I - 0 0 7 215,-0.1 -11,-2.3 216,-0.1 185,-0.1 -0.966 18.7-139.6-129.8 149.1 5.0 1.1 -4.2 79 79 A S >> - 0 0 0 -2,-0.3 4,-2.1 -13,-0.3 3,-0.9 -0.785 28.3-104.1-109.1 151.4 8.0 2.5 -6.1 80 80 A P H 3> S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.837 123.9 53.5 -38.2 -40.7 8.3 4.7 -9.3 81 81 A G H 3> S+ 0 0 7 2,-0.2 4,-2.9 3,-0.2 5,-0.2 0.940 104.7 52.0 -62.1 -46.1 9.3 1.6 -11.2 82 82 A M H <> S+ 0 0 0 -3,-0.9 4,-0.7 2,-0.2 -1,-0.2 0.956 113.5 46.8 -57.8 -47.3 6.2 -0.3 -10.0 83 83 A I H ><>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 3,-1.1 0.901 113.0 46.5 -56.9 -47.4 4.2 2.7 -11.3 84 84 A K H ><5S+ 0 0 86 -4,-2.9 3,-1.3 1,-0.3 -1,-0.2 0.856 106.4 60.5 -68.8 -27.6 6.0 2.8 -14.6 85 85 A D H 3<5S+ 0 0 60 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.720 101.0 54.4 -73.2 -18.8 5.6 -1.0 -14.9 86 86 A C T <<5S- 0 0 7 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.520 124.6-106.7 -89.1 -5.1 1.9 -0.4 -14.8 87 87 A G T < 5S+ 0 0 36 -3,-1.3 -26,-0.3 -4,-0.4 2,-0.2 0.499 75.7 139.1 90.0 10.2 2.2 2.0 -17.7 88 88 A A < - 0 0 0 -5,-2.1 -1,-0.3 -6,-0.2 -26,-0.2 -0.596 32.7-172.3 -91.4 147.6 1.6 5.0 -15.5 89 89 A T + 0 0 65 -28,-1.8 33,-2.9 -2,-0.2 2,-0.3 0.438 56.5 55.7-122.0 -3.4 3.7 8.1 -16.1 90 90 A W E -de 62 122A 22 -29,-0.8 -27,-2.5 31,-0.2 2,-0.4 -0.931 53.9-157.6-129.1 148.9 3.0 10.6 -13.3 91 91 A V E -de 63 123A 0 31,-1.6 33,-2.6 -2,-0.3 2,-0.6 -0.991 13.7-144.7-121.0 144.9 3.1 10.6 -9.4 92 92 A V E + e 0 124A 1 -29,-1.7 2,-0.3 -2,-0.4 33,-0.2 -0.944 36.2 175.9 -95.6 119.4 1.1 13.0 -7.3 93 93 A L E + e 0 125A 2 31,-2.5 33,-2.2 -2,-0.6 -28,-0.1 -0.934 49.4 26.1-130.4 157.3 3.5 13.7 -4.4 94 94 A G S S+ 0 0 1 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.777 77.6 169.4 64.8 26.4 3.5 15.9 -1.3 95 95 A H >> - 0 0 5 -31,-0.2 3,-2.4 -3,-0.1 4,-1.9 -0.560 44.6-114.7 -75.0 141.9 -0.3 16.0 -1.4 96 96 A S H 3>>S+ 0 0 16 1,-0.3 4,-1.2 -2,-0.2 5,-0.5 0.665 112.5 59.5 -48.1 -35.1 -1.9 17.5 1.7 97 97 A E H 3>>S+ 0 0 18 3,-0.2 5,-1.6 2,-0.2 4,-1.1 0.800 110.9 42.0 -73.2 -22.4 -3.5 14.4 2.8 98 98 A R H <45S+ 0 0 14 -3,-2.4 6,-2.2 3,-0.2 -2,-0.2 0.921 117.7 47.3 -79.7 -50.1 -0.1 12.7 3.1 99 99 A R H <5S+ 0 0 25 -4,-1.9 -2,-0.2 4,-0.3 -3,-0.2 0.566 129.9 20.7 -67.5 -20.6 1.5 15.8 4.7 100 100 A H H <5S+ 0 0 71 -4,-1.2 -3,-0.2 -5,-0.3 -2,-0.2 0.668 133.2 32.7-122.8 -39.5 -1.3 16.3 7.1 101 101 A V T < - 0 0 70 -2,-0.6 4,-2.5 1,-0.1 5,-0.2 -0.396 14.0-116.6 -72.1 150.5 7.7 15.2 6.1 106 106 A D H > S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.889 114.0 49.9 -61.6 -38.9 9.2 17.9 3.7 107 107 A E H > S+ 0 0 130 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.912 112.1 48.7 -61.1 -44.7 12.6 16.2 3.5 108 108 A L H > S+ 0 0 25 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.884 109.2 51.1 -70.2 -40.9 11.0 12.9 2.7 109 109 A I H >X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 3,-1.9 0.964 110.6 50.0 -56.4 -51.4 8.8 14.3 -0.0 110 110 A G H 3X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.3 5,-0.3 0.895 106.1 56.4 -56.4 -43.1 11.9 16.0 -1.7 111 111 A Q H 3X S+ 0 0 76 -4,-2.3 4,-0.9 1,-0.2 -1,-0.3 0.723 111.0 44.1 -60.1 -19.1 13.7 12.6 -1.5 112 112 A K H S+ 0 0 0 -4,-3.0 5,-1.8 2,-0.2 -1,-0.2 0.914 115.9 48.4 -68.4 -42.0 10.5 9.7 -9.0 117 117 A L H ><5S+ 0 0 22 -4,-2.2 3,-2.1 -5,-0.4 -2,-0.2 0.929 104.7 57.5 -63.2 -46.0 12.1 12.1 -11.3 118 118 A A H 3<5S+ 0 0 80 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.875 105.3 55.4 -47.0 -35.4 15.4 9.9 -11.5 119 119 A E T 3<5S- 0 0 46 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.413 119.8-108.4 -88.2 4.1 13.0 7.1 -12.8 120 120 A G T < 5S+ 0 0 47 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.748 76.5 129.7 87.1 18.4 11.6 9.1 -15.6 121 121 A L < - 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0 0 46 -2,-0.5 4,-2.7 18,-0.1 22,-0.0 -0.648 56.6 -86.8-113.9-174.5 -16.4 22.5 -10.3 214 214 A G T 4 S+ 0 0 19 1,-0.2 4,-0.4 -2,-0.2 -1,-0.0 0.800 128.6 47.4 -60.9 -28.6 -18.1 23.0 -13.6 215 215 A A T 4 S+ 0 0 66 2,-0.1 4,-0.4 1,-0.1 3,-0.3 0.880 116.6 38.2 -75.5 -46.1 -19.2 26.4 -12.5 216 216 A T T >> S+ 0 0 47 1,-0.2 4,-1.1 2,-0.1 3,-1.0 0.839 92.8 85.8 -84.5 -19.5 -16.0 27.7 -11.1 217 217 A C H >X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.3 3,-0.6 0.806 89.5 47.8 -55.7 -36.9 -13.5 26.3 -13.7 218 218 A K H 3> S+ 0 0 100 -4,-0.4 4,-0.9 -3,-0.3 -1,-0.3 0.827 109.9 51.9 -69.1 -36.8 -13.8 29.2 -16.2 219 219 A E H <4 S+ 0 0 119 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.568 118.2 39.0 -76.5 -17.4 -13.4 32.0 -13.6 220 220 A L H X< S+ 0 0 7 -4,-1.1 3,-1.5 -3,-0.6 -2,-0.2 0.816 109.0 56.5-103.0 -42.8 -10.3 30.3 -12.4 221 221 A A H 3< S+ 0 0 3 -4,-2.9 5,-0.2 1,-0.3 -3,-0.2 0.736 100.9 65.6 -58.3 -24.5 -8.6 29.1 -15.8 222 222 A S T 3< S+ 0 0 79 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.1 0.821 77.9 101.5 -65.2 -32.3 -8.9 32.8 -16.8 223 223 A Q S X S- 0 0 25 -3,-1.5 3,-1.7 1,-0.1 -3,-0.1 -0.316 81.1-118.8 -60.0 139.7 -6.3 33.9 -14.1 224 224 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.822 105.7 31.0 -43.4 -55.1 -2.8 34.5 -15.5 225 225 A D T 3 S+ 0 0 26 -43,-0.1 2,-0.9 -20,-0.0 -19,-0.2 0.109 89.1 109.0-101.3 21.4 -0.7 32.0 -13.7 226 226 A V < + 0 0 1 -3,-1.7 -19,-0.2 -5,-0.2 3,-0.1 -0.862 37.9 172.9-108.1 102.9 -3.4 29.3 -13.3 227 227 A D - 0 0 13 -21,-2.0 -220,-2.8 -2,-0.9 2,-0.3 0.297 57.4 -52.2 -92.0 -0.6 -2.2 26.6 -15.6 228 228 A G E -b 7 0A 0 -22,-0.3 -20,-2.9 -222,-0.2 2,-0.3 -0.934 58.6 -81.1 153.1-168.4 -4.7 24.0 -14.6 229 229 A F E -bh 8 208A 0 -222,-0.7 -220,-2.4 -2,-0.3 2,-0.6 -0.902 4.9-150.9-133.6 147.1 -6.3 22.1 -11.9 230 230 A L E -b 9 0A 8 -22,-2.0 2,-0.3 -2,-0.3 -220,-0.2 -0.995 43.2-157.9-116.3 102.6 -5.7 19.0 -9.6 231 231 A V E -b 10 0A 1 -222,-2.2 -220,-2.9 -2,-0.6 -20,-0.1 -0.677 14.8-164.7 -94.2 139.7 -9.4 18.3 -9.2 232 232 A G - 0 0 21 -22,-0.4 3,-0.4 -2,-0.3 -1,-0.2 0.722 68.6 -11.6 -89.6-100.3 -10.8 16.3 -6.4 233 233 A G S > S+ 0 0 46 1,-0.2 3,-1.6 2,-0.2 -20,-0.0 0.695 121.4 71.0 -82.1 -25.3 -14.3 14.9 -6.3 234 234 A A G > S+ 0 0 9 1,-0.3 3,-1.2 -22,-0.2 6,-0.8 0.821 93.7 65.6 -60.6 -22.7 -15.7 16.8 -9.3 235 235 A S G 3 S+ 0 0 0 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.611 85.2 64.9 -76.6 -18.6 -13.3 14.4 -11.2 236 236 A L G < S+ 0 0 53 -3,-1.6 -1,-0.3 -225,-0.1 -2,-0.1 0.312 105.1 59.5 -84.5 12.5 -15.2 11.3 -10.3 237 237 A K S X S- 0 0 98 -3,-1.2 3,-1.7 -213,-0.0 4,-0.2 -0.831 98.7-100.3-136.9 168.0 -18.1 12.8 -12.4 238 238 A P T >> S+ 0 0 77 0, 0.0 3,-1.1 0, 0.0 4,-0.7 0.591 109.7 82.7 -73.3 -11.9 -18.7 13.9 -16.1 239 239 A E H >> S+ 0 0 46 -5,-0.3 4,-2.0 1,-0.3 3,-0.6 0.801 74.3 72.2 -52.6 -39.0 -18.1 17.5 -14.9 240 240 A F H <> S+ 0 0 0 -3,-1.7 4,-2.7 -6,-0.8 3,-0.3 0.924 91.5 58.7 -47.9 -37.3 -14.4 16.7 -15.2 241 241 A V H <> S+ 0 0 24 -3,-1.1 4,-1.9 1,-0.3 -1,-0.2 0.886 105.2 48.0 -65.8 -31.3 -15.1 16.9 -19.0 242 242 A D H << S+ 0 0 86 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.856 110.9 50.6 -74.4 -31.0 -16.3 20.5 -18.5 243 243 A I H >< S+ 0 0 0 -4,-2.0 3,-1.9 -3,-0.3 -2,-0.2 0.913 107.4 53.9 -70.7 -43.2 -13.2 21.3 -16.4 244 244 A I H >< S+ 0 0 4 -4,-2.7 3,-0.6 1,-0.3 -2,-0.2 0.939 111.6 46.9 -53.4 -44.7 -11.0 19.8 -19.2 245 245 A N G >< S+ 0 0 44 -4,-1.9 3,-1.9 1,-0.2 -1,-0.3 0.324 76.8 113.1 -89.2 23.8 -12.7 22.2 -21.5 246 246 A A G < S+ 0 0 4 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.598 75.0 52.6 -68.3 -13.3 -12.4 25.1 -19.3 247 247 A K G < 0 0 102 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.218 360.0 360.0-103.7 0.4 -10.0 26.9 -21.7 248 248 A Q < 0 0 176 -3,-1.9 -2,-0.2 -214,-0.0 -1,-0.2 0.412 360.0 360.0 -98.2 360.0 -12.3 26.6 -24.7 249 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 250 1 B A 0 0 117 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-177.5 -12.9 -25.9 14.2 251 2 B P - 0 0 121 0, 0.0 3,-0.3 0, 0.0 0, 0.0 -0.251 360.0 -10.2 -60.1 169.5 -10.5 -28.9 15.0 252 3 B S S S- 0 0 116 1,-0.2 200,-0.1 2,-0.0 199,-0.0 0.527 87.3 -82.1 -14.2 128.3 -6.7 -28.3 15.2 253 4 B R - 0 0 70 198,-0.4 -1,-0.2 -3,-0.1 3,-0.1 -0.007 45.2-133.1 -44.1 96.8 -4.9 -25.1 14.1 254 5 B K - 0 0 101 -3,-0.3 32,-0.1 198,-0.1 -1,-0.1 -0.218 31.5-102.5 -50.2 128.5 -4.5 -25.3 10.4 255 6 B F E -k 286 0D 14 30,-1.4 32,-2.4 241,-0.1 2,-0.5 -0.374 38.2-157.1 -71.5 141.7 -0.9 -24.3 9.4 256 7 B F E +kl 287 477D 0 220,-1.9 222,-1.9 30,-0.2 2,-0.5 -0.954 19.7 171.0-122.8 121.9 -0.4 -20.8 8.0 257 8 B V E +kl 288 478D 0 30,-2.2 32,-1.7 -2,-0.5 2,-0.4 -0.971 8.5 178.3-130.5 115.9 2.3 -19.5 5.9 258 9 B G E -kl 289 479D 2 220,-2.7 222,-2.7 -2,-0.5 2,-0.6 -0.956 15.5-149.8-109.4 139.6 1.9 -16.1 4.4 259 10 B G E -kl 290 480D 1 30,-2.7 32,-2.1 -2,-0.4 2,-0.7 -0.906 3.4-160.2-115.5 118.3 4.5 -14.5 2.3 260 11 B N E -k 291 0D 1 220,-1.7 224,-0.2 -2,-0.6 225,-0.1 -0.780 4.4-169.6 -92.3 113.8 4.9 -10.7 2.3 261 12 B W > - 0 0 1 30,-2.7 3,-0.5 -2,-0.7 -1,-0.1 0.579 22.0-162.2 -85.6 -1.6 6.8 -9.5 -0.8 262 13 B K T 3 - 0 0 15 29,-0.3 2,-1.6 1,-0.2 -189,-0.2 -0.193 61.4 -30.0 52.8-151.3 7.1 -5.9 0.6 263 14 B M B 3 S+J 72 0C 0 -191,-2.1 -191,-1.3 30,-0.1 2,-0.4 -0.400 107.3 121.6 -95.3 61.6 8.0 -3.3 -2.1 264 15 B N < + 0 0 50 -2,-1.6 -193,-0.1 -3,-0.5 -3,-0.1 -0.930 44.9 25.5-121.7 142.9 9.8 -5.8 -4.3 265 16 B G - 0 0 9 -2,-0.4 2,-0.2 27,-0.1 -4,-0.0 0.395 48.7-126.4 96.8 145.5 9.2 -6.8 -7.8 266 17 B R > - 0 0 48 -181,-0.0 4,-2.2 30,-0.0 5,-0.2 -0.585 50.0 -86.5-109.3-175.1 7.9 -6.0 -11.1 267 18 B K H > S+ 0 0 48 -2,-0.2 4,-2.8 3,-0.2 5,-0.1 0.766 124.6 52.8 -65.2 -27.6 5.4 -8.1 -13.2 268 19 B Q H > S+ 0 0 149 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.924 114.6 37.6 -76.6 -54.9 8.3 -10.2 -14.8 269 20 B S H > S+ 0 0 56 2,-0.2 4,-2.5 3,-0.2 -2,-0.2 0.906 123.6 46.8 -57.9 -38.8 9.9 -11.3 -11.6 270 21 B L H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.941 109.7 50.9 -68.8 -50.1 6.4 -11.6 -10.1 271 22 B G H X S+ 0 0 21 -4,-2.8 4,-1.7 2,-0.2 3,-0.3 0.958 113.1 47.2 -51.6 -56.7 5.0 -13.4 -13.1 272 23 B E H X S+ 0 0 143 -4,-2.7 4,-1.8 1,-0.2 3,-0.3 0.906 112.3 47.9 -59.5 -44.5 7.9 -15.9 -12.8 273 24 B L H X S+ 0 0 16 -4,-2.5 4,-2.5 1,-0.3 -1,-0.2 0.853 107.6 56.8 -56.7 -39.6 7.6 -16.4 -9.0 274 25 B I H X S+ 0 0 6 -4,-2.8 4,-2.5 -3,-0.3 -1,-0.3 0.897 105.6 52.9 -62.0 -33.5 3.9 -16.9 -9.5 275 26 B G H < S+ 0 0 41 -4,-1.7 -2,-0.2 -3,-0.3 4,-0.2 0.934 107.4 48.8 -67.6 -47.3 5.0 -19.7 -11.9 276 27 B T H >< S+ 0 0 65 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.958 117.8 42.3 -53.2 -52.3 7.2 -21.4 -9.2 277 28 B L H >< S+ 0 0 8 -4,-2.5 3,-1.4 1,-0.3 -2,-0.2 0.905 106.7 57.8 -66.5 -43.3 4.3 -21.3 -6.7 278 29 B N T 3< S+ 0 0 62 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.545 117.3 39.0 -65.0 -3.2 1.6 -22.3 -9.0 279 30 B A T < S+ 0 0 83 -3,-1.3 -1,-0.3 -4,-0.2 2,-0.2 0.256 90.7 100.1-131.3 8.7 3.8 -25.4 -9.5 280 31 B A S < S- 0 0 25 -3,-1.4 2,-0.6 -4,-0.1 -3,-0.0 -0.646 83.3-103.8 -89.5 157.3 5.1 -26.2 -6.0 281 32 B K - 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