==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 22-JUL-02 1M7P . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR S.PARTHASARATHY,H.BALARAM,P.BALARAM,M.R.N.MURTHY . 492 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20361.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 14.0 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 . 39 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 30.3 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 2 4 6 2 0 1 1 0 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 2 4 3 1 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 3 A R 0 0 118 0, 0.0 2,-0.3 0, 0.0 201,-0.1 0.000 360.0 360.0 360.0 146.1 -7.4 15.5 41.0 2 4 A K - 0 0 73 199,-0.2 33,-0.1 1,-0.1 32,-0.0 -0.461 360.0-120.9 -69.1 120.8 -3.6 16.0 41.1 3 5 A Y - 0 0 80 31,-0.5 33,-2.6 -2,-0.3 2,-0.4 -0.349 23.5-152.9 -64.9 150.1 -2.0 17.7 38.0 4 6 A F E -ab 36 226A 0 221,-1.8 223,-1.3 31,-0.2 2,-0.5 -0.992 12.6-176.8-129.1 122.1 0.7 15.8 36.1 5 7 A V E -ab 37 227A 0 31,-3.0 33,-2.5 -2,-0.4 2,-0.4 -0.985 10.6-174.9-123.5 125.4 3.5 17.4 34.1 6 8 A A E -ab 38 228A 0 221,-2.5 223,-3.1 -2,-0.5 2,-0.6 -0.953 19.1-147.7-128.5 144.3 5.9 15.2 32.1 7 9 A A E -ab 39 229A 0 31,-2.7 33,-2.9 -2,-0.4 2,-0.8 -0.926 8.9-168.2-108.8 119.0 9.0 15.8 30.1 8 10 A N E -a 40 0A 2 221,-3.2 225,-0.2 -2,-0.6 3,-0.1 -0.884 6.2-179.5-108.4 98.7 9.5 13.4 27.2 9 11 A W - 0 0 3 31,-1.4 308,-0.2 -2,-0.8 -1,-0.1 0.602 20.6-170.0 -72.6 -10.3 13.1 14.1 26.1 10 12 A K - 0 0 23 30,-0.4 2,-1.1 1,-0.2 -1,-0.2 -0.278 61.9 -16.6 55.2-137.5 12.6 11.5 23.4 11 13 A C B S+I 317 0B 0 306,-1.8 306,-2.4 -3,-0.1 2,-0.3 -0.582 109.6 107.9 -99.6 69.7 15.9 10.7 21.7 12 14 A N + 0 0 33 -2,-1.1 30,-0.4 304,-0.2 2,-0.1 -0.989 35.7 69.6-144.7 153.0 18.0 13.6 22.9 13 15 A G - 0 0 14 -2,-0.3 2,-0.3 28,-0.1 3,-0.1 -0.247 39.5-140.9 122.2 151.5 20.8 14.4 25.3 14 16 A T > - 0 0 53 -2,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.819 43.3-100.6-132.6 168.6 24.4 14.0 26.1 15 17 A L H > S+ 0 0 62 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.928 124.2 45.9 -59.8 -43.1 25.9 13.4 29.6 16 18 A E H 4 S+ 0 0 131 2,-0.2 4,-0.4 1,-0.2 5,-0.2 0.949 110.0 50.9 -64.6 -51.8 26.8 17.1 29.8 17 19 A S H >> S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 3,-0.7 0.854 112.7 46.9 -56.9 -37.5 23.4 18.5 28.5 18 20 A I H 3X S+ 0 0 3 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.882 108.7 55.0 -71.2 -37.2 21.5 16.4 31.0 19 21 A K H 3< S+ 0 0 110 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.449 115.0 41.4 -72.9 -2.8 23.9 17.5 33.8 20 22 A S H <> S+ 0 0 67 -3,-0.7 4,-1.1 -4,-0.4 -2,-0.2 0.689 114.8 48.4-111.6 -39.0 23.1 21.1 32.9 21 23 A L H X S+ 0 0 16 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.887 111.8 49.9 -71.4 -39.2 19.3 20.6 32.3 22 24 A T H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 32,-0.2 0.833 104.9 56.3 -70.5 -32.8 18.8 18.8 35.6 23 25 A N H > S+ 0 0 90 -5,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.884 109.8 47.7 -66.0 -33.0 20.7 21.3 37.7 24 26 A S H >< S+ 0 0 23 -4,-1.1 3,-0.6 1,-0.2 4,-0.4 0.871 110.7 51.1 -72.7 -38.6 18.2 23.9 36.3 25 27 A F H >< S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.876 103.9 58.6 -67.4 -37.3 15.2 21.6 37.1 26 28 A N H 3< S+ 0 0 15 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.727 90.8 70.2 -66.8 -19.8 16.4 21.1 40.7 27 29 A N T << S+ 0 0 136 -4,-0.6 2,-0.3 -3,-0.6 -1,-0.3 0.772 77.1 100.1 -68.8 -21.6 16.3 24.8 41.4 28 30 A L < - 0 0 22 -3,-1.3 2,-0.8 -4,-0.4 -3,-0.0 -0.481 67.2-147.7 -69.8 125.8 12.5 24.7 41.2 29 31 A D + 0 0 141 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.829 39.0 139.6 -96.4 105.1 10.9 24.6 44.7 30 32 A F - 0 0 12 -2,-0.8 213,-0.0 5,-0.0 216,-0.0 -0.979 53.2-110.8-145.4 159.1 7.7 22.6 44.5 31 33 A D >> - 0 0 76 -2,-0.3 3,-2.3 1,-0.1 4,-1.3 -0.800 16.3-158.2 -96.6 107.3 5.8 20.0 46.6 32 34 A P T 34 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.612 90.2 65.6 -55.7 -14.2 5.8 16.5 45.0 33 35 A S T 34 S+ 0 0 75 1,-0.2 3,-0.1 3,-0.1 -31,-0.0 0.667 108.7 35.9 -85.1 -16.5 2.7 15.6 47.1 34 36 A K T <4 S+ 0 0 156 -3,-2.3 -31,-0.5 1,-0.3 2,-0.3 0.597 124.7 33.4-108.1 -19.5 0.5 18.2 45.3 35 37 A L < - 0 0 7 -4,-1.3 2,-0.6 -33,-0.1 -1,-0.3 -0.999 68.4-139.9-140.8 139.8 1.9 17.9 41.8 36 38 A D E +a 4 0A 16 -33,-2.6 -31,-3.0 -2,-0.3 2,-0.5 -0.897 21.3 179.3-102.5 123.2 3.4 15.0 39.8 37 39 A V E -a 5 0A 1 -2,-0.6 21,-3.3 19,-0.4 2,-0.4 -0.983 6.2-177.7-125.4 116.9 6.4 15.9 37.7 38 40 A V E -ac 6 58A 0 -33,-2.5 -31,-2.7 -2,-0.5 2,-0.5 -0.935 13.1-158.9-120.2 140.6 7.9 13.1 35.7 39 41 A V E -ac 7 59A 0 19,-2.3 21,-1.5 -2,-0.4 -31,-0.2 -0.964 2.8-162.8-118.2 130.2 11.0 13.1 33.5 40 42 A F E -a 8 0A 0 -33,-2.9 -31,-1.4 -2,-0.5 -30,-0.4 -0.825 15.4-179.6-114.8 94.4 11.4 10.4 30.8 41 43 A P - 0 0 0 0, 0.0 21,-0.5 0, 0.0 5,-0.1 -0.411 43.2 -76.7 -88.0 168.6 15.0 10.2 29.6 42 44 A V > - 0 0 1 -30,-0.4 3,-2.1 1,-0.1 4,-0.4 -0.309 52.3-109.6 -57.0 144.3 16.5 7.8 26.9 43 45 A S G > S+ 0 0 22 1,-0.3 3,-1.9 2,-0.2 4,-0.4 0.883 118.4 51.0 -48.0 -48.2 16.9 4.4 28.5 44 46 A V G 3 S+ 0 0 11 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.632 109.5 54.1 -68.6 -8.5 20.7 4.5 28.5 45 47 A H G <> S+ 0 0 0 -3,-2.1 4,-2.7 1,-0.1 -1,-0.3 0.400 82.2 97.6-100.2 -0.9 20.5 7.8 30.3 46 48 A Y H <> S+ 0 0 8 -3,-1.9 4,-3.2 -4,-0.4 5,-0.2 0.950 83.2 41.4 -54.0 -63.5 18.2 6.6 33.1 47 49 A D H > S+ 0 0 38 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.904 116.5 50.4 -52.6 -47.3 20.7 5.9 35.9 48 50 A H H > S+ 0 0 48 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.946 115.0 43.2 -57.1 -50.7 22.6 9.1 35.1 49 51 A T H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.877 111.4 53.7 -64.3 -40.4 19.3 11.2 35.1 50 52 A R H < S+ 0 0 71 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.901 110.3 48.6 -62.9 -39.6 17.9 9.4 38.3 51 53 A K H < S+ 0 0 137 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.860 114.5 44.6 -68.9 -35.4 21.1 10.3 40.1 52 54 A L H < S+ 0 0 51 -4,-1.7 2,-0.4 -5,-0.2 -2,-0.2 0.779 99.2 79.9 -81.9 -26.2 21.1 13.9 39.1 53 55 A L S < S- 0 0 7 -4,-2.1 -30,-0.1 -5,-0.1 2,-0.1 -0.670 82.5-121.4 -86.7 132.8 17.4 14.7 39.7 54 56 A Q > - 0 0 96 -2,-0.4 3,-2.3 -32,-0.2 -2,-0.1 -0.396 33.8-103.7 -68.7 148.1 16.2 15.4 43.2 55 57 A S T 3 S+ 0 0 109 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.550 111.9 84.1 -50.2 -9.7 13.5 13.0 44.5 56 58 A K T 3 S+ 0 0 39 2,-0.0 -19,-0.4 -20,-0.0 -1,-0.3 0.944 86.7 66.4 -58.8 -44.3 10.9 15.7 43.9 57 59 A F S < S- 0 0 1 -3,-2.3 2,-0.2 -21,-0.1 -19,-0.2 -0.552 78.2-144.5 -82.2 139.3 10.9 14.5 40.3 58 60 A S E -c 38 0A 19 -21,-3.3 -19,-2.3 -2,-0.2 2,-0.3 -0.621 18.3-152.2 -93.6 161.8 9.6 11.1 39.3 59 61 A T E +c 39 0A 4 -21,-0.2 29,-1.1 -2,-0.2 28,-1.0 -0.920 20.7 154.2-133.8 160.4 11.3 9.2 36.5 60 62 A G E -d 88 0A 0 -21,-1.5 2,-0.3 -2,-0.3 29,-0.2 -0.934 36.6 -90.1-164.4-174.9 10.4 6.6 33.9 61 63 A I E -d 89 0A 4 27,-2.1 29,-2.0 -2,-0.3 -19,-0.1 -0.885 24.2-127.3-118.4 148.7 11.2 5.1 30.5 62 64 A Q S S+ 0 0 6 -21,-0.5 2,-0.3 -2,-0.3 31,-0.2 0.490 89.2 8.3 -68.8 -6.7 9.8 6.1 27.0 63 65 A N - 0 0 22 258,-0.1 2,-0.3 28,-0.1 28,-0.1 -0.974 58.2-161.8-169.4 158.0 8.7 2.5 26.2 64 66 A V - 0 0 0 -2,-0.3 13,-0.2 26,-0.2 50,-0.1 -0.983 32.0 -98.7-147.2 150.6 8.4 -1.0 27.6 65 67 A S - 0 0 0 11,-3.2 13,-0.3 -2,-0.3 48,-0.1 -0.316 10.6-142.6 -73.1 151.9 8.0 -4.4 26.0 66 68 A K S S+ 0 0 38 11,-0.1 2,-0.2 47,-0.1 -1,-0.1 0.489 88.4 68.1 -87.6 -5.7 4.8 -6.3 25.5 67 69 A F S S- 0 0 40 1,-0.1 11,-0.5 9,-0.1 -2,-0.1 -0.605 81.2-128.5-106.1 169.3 6.7 -9.5 26.4 68 70 A G - 0 0 28 1,-0.3 -1,-0.1 -2,-0.2 190,-0.1 -0.074 58.0 -41.4 -98.1-154.9 8.1 -10.5 29.7 69 71 A N S S+ 0 0 66 -2,-0.1 2,-0.3 2,-0.1 -1,-0.3 -0.342 96.1 76.4 -67.0 154.5 11.7 -11.6 30.3 70 72 A G B S-J 258 0C 16 188,-2.3 2,-1.5 -3,-0.1 188,-1.4 -0.989 90.4 -13.5 146.7-153.5 13.1 -14.0 27.7 71 73 A S S S+ 0 0 41 -2,-0.3 2,-0.2 186,-0.2 186,-0.1 -0.536 80.1 122.9 -90.9 73.8 14.5 -14.1 24.2 72 74 A Y > - 0 0 50 -2,-1.5 3,-2.3 3,-0.1 -1,-0.1 -0.605 53.0-148.1-133.8 70.6 13.5 -10.6 23.0 73 75 A T T 3 S+ 0 0 0 1,-0.3 3,-0.1 -2,-0.2 -2,-0.1 -0.058 78.4 10.2 -45.7 124.7 16.7 -8.9 22.0 74 76 A G T 3 S+ 0 0 25 1,-0.3 2,-0.3 236,-0.0 -1,-0.3 0.420 98.6 120.9 87.3 -1.7 16.7 -5.2 22.5 75 77 A E < - 0 0 8 -3,-2.3 2,-0.6 234,-0.1 -1,-0.3 -0.707 53.9-144.0 -99.0 149.0 13.5 -5.0 24.6 76 78 A V - 0 0 15 -2,-0.3 -11,-3.2 -3,-0.1 -9,-0.1 -0.950 23.0-146.5-110.7 114.8 13.1 -3.7 28.1 77 79 A S > - 0 0 0 -2,-0.6 4,-1.8 -13,-0.2 -9,-0.1 -0.328 19.4-118.2 -79.7 162.5 10.5 -5.8 30.1 78 80 A A H > S+ 0 0 0 -11,-0.5 4,-2.0 -13,-0.3 5,-0.1 0.870 114.3 51.8 -66.6 -38.7 8.1 -4.5 32.8 79 81 A E H > S+ 0 0 61 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.843 108.0 52.3 -69.0 -31.0 9.7 -6.7 35.5 80 82 A I H > S+ 0 0 1 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.911 109.6 49.1 -68.4 -41.0 13.1 -5.4 34.6 81 83 A A H <>S+ 0 0 0 -4,-1.8 5,-3.0 1,-0.2 -2,-0.2 0.878 111.7 50.1 -64.6 -38.2 11.8 -1.8 35.0 82 84 A K H ><5S+ 0 0 94 -4,-2.0 3,-2.7 1,-0.2 -2,-0.2 0.943 105.1 54.9 -66.1 -48.1 10.3 -2.8 38.3 83 85 A D H 3<5S+ 0 0 63 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.815 109.0 51.3 -55.5 -29.5 13.5 -4.4 39.7 84 86 A L T 3<5S- 0 0 21 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.421 116.7-116.1 -87.5 0.2 15.1 -1.0 38.9 85 87 A N T < 5 + 0 0 132 -3,-2.7 2,-0.5 1,-0.3 -3,-0.2 0.831 54.8 165.6 69.5 30.4 12.5 0.9 40.7 86 88 A I < - 0 0 3 -5,-3.0 -1,-0.3 1,-0.1 -26,-0.1 -0.722 18.2-167.8 -80.4 126.2 11.4 2.6 37.5 87 89 A E + 0 0 63 -28,-1.0 33,-2.4 -2,-0.5 2,-0.3 0.785 57.3 34.2 -89.2 -31.0 8.0 4.2 38.3 88 90 A Y E -de 60 120A 4 -29,-1.1 -27,-2.1 31,-0.2 2,-0.3 -0.945 52.4-171.0-131.2 151.8 6.5 5.3 34.9 89 91 A V E -de 61 121A 0 31,-1.6 33,-2.6 -2,-0.3 2,-0.5 -0.991 21.0-133.6-136.1 142.7 6.4 4.0 31.3 90 92 A I E - e 0 122A 1 -29,-2.0 2,-0.4 -2,-0.3 -26,-0.2 -0.839 27.6-171.2 -95.8 134.2 5.1 5.8 28.2 91 93 A I E + e 0 123A 0 31,-3.1 33,-2.9 -2,-0.5 -28,-0.1 -0.982 57.0 8.5-130.8 138.3 2.9 3.6 26.0 92 94 A G + 0 0 0 -2,-0.4 -1,-0.1 31,-0.2 31,-0.1 0.752 69.9 173.9 71.3 26.0 1.4 4.1 22.6 93 95 A H >> - 0 0 8 -31,-0.2 4,-1.7 1,-0.1 3,-1.2 -0.382 41.2-119.5 -63.4 144.5 3.2 7.4 21.7 94 96 A F H 3> S+ 0 0 36 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.763 111.8 60.2 -62.7 -23.2 2.5 8.3 18.1 95 97 A E H 3>>S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 5,-0.5 0.827 108.2 45.2 -72.3 -29.3 6.1 8.1 17.1 96 98 A R H <45S+ 0 0 9 -3,-1.2 6,-1.3 3,-0.2 4,-0.4 0.785 115.7 46.2 -82.2 -27.9 6.1 4.4 18.1 97 99 A R H X5S+ 0 0 43 -4,-1.7 4,-0.6 4,-0.2 -2,-0.2 0.873 122.2 38.3 -78.2 -37.2 2.8 3.8 16.4 98 100 A K H <5S+ 0 0 124 -4,-2.8 3,-0.2 -5,-0.2 -3,-0.2 0.978 127.1 27.8 -77.5 -62.7 4.1 5.7 13.3 99 101 A Y T <5S+ 0 0 73 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.1 0.756 131.4 34.9 -74.5 -23.9 7.8 4.8 12.9 100 102 A F T 4> - 0 0 50 -2,-0.5 4,-2.0 1,-0.1 3,-0.5 -0.457 35.9-101.3-100.4 173.3 -0.9 -1.2 17.3 104 106 A D H 3> S+ 0 0 25 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.818 127.2 62.0 -59.7 -28.8 -3.7 -0.6 19.9 105 107 A E H 3> S+ 0 0 119 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.856 102.5 43.7 -65.9 -42.5 -3.1 -4.3 20.3 106 108 A D H <> S+ 0 0 22 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.819 111.0 59.2 -74.8 -29.4 0.5 -3.8 21.4 107 109 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.938 105.3 46.7 -62.8 -48.1 -0.7 -0.9 23.6 108 110 A R H X S+ 0 0 80 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.874 112.9 49.4 -63.7 -38.2 -3.1 -3.2 25.5 109 111 A E H X S+ 0 0 84 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.890 111.9 47.7 -69.2 -38.4 -0.4 -5.9 26.0 110 112 A K H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.869 113.5 48.1 -68.9 -37.7 2.2 -3.3 27.3 111 113 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.871 112.2 49.4 -70.5 -36.7 -0.4 -1.8 29.6 112 114 A Q H X S+ 0 0 98 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.940 112.5 47.9 -66.8 -45.3 -1.3 -5.2 30.9 113 115 A A H X S+ 0 0 14 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.881 113.1 48.6 -61.2 -40.1 2.3 -6.1 31.4 114 116 A S H ><>S+ 0 0 0 -4,-2.2 5,-2.8 2,-0.2 3,-0.7 0.910 113.5 43.7 -68.8 -45.8 3.0 -2.8 33.2 115 117 A L H ><5S+ 0 0 17 -4,-2.3 3,-2.1 1,-0.3 -2,-0.2 0.894 108.0 60.6 -65.7 -39.2 0.0 -3.0 35.6 116 118 A K H 3<5S+ 0 0 165 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.714 110.9 41.5 -60.5 -21.3 0.8 -6.6 36.2 117 119 A N T <<5S- 0 0 32 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.093 118.7-109.3-114.9 20.1 4.2 -5.4 37.5 118 120 A N T < 5 + 0 0 128 -3,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.758 68.7 143.2 57.8 33.1 2.9 -2.4 39.4 119 121 A L < - 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0 0 3 -38,-3.4 2,-2.3 -2,-0.7 3,-0.2 -0.890 12.5-151.1-106.9 107.7 -2.1 13.6 21.1 164 166 A P > + 0 0 0 0, 0.0 3,-3.0 0, 0.0 4,-0.2 -0.450 21.1 174.9 -75.8 72.0 -3.8 15.8 18.4 165 167 A L G > S+ 0 0 43 -2,-2.3 3,-1.9 1,-0.3 5,-0.3 0.811 74.5 66.2 -46.3 -36.5 -1.8 14.3 15.5 166 168 A W G 3 S+ 0 0 6 -39,-1.4 -1,-0.3 1,-0.3 6,-0.3 0.744 109.4 37.3 -59.6 -24.3 -3.9 16.5 13.2 167 169 A A G < S+ 0 0 14 -3,-3.0 2,-0.6 4,-0.1 -1,-0.3 0.120 99.6 92.7-113.7 16.5 -2.3 19.5 14.7 168 170 A I S < S- 0 0 42 -3,-1.9 -39,-0.1 -4,-0.2 5,-0.1 -0.941 110.5 -19.8-116.6 110.5 1.2 18.0 15.1 169 171 A G S S+ 0 0 86 -2,-0.6 -1,-0.1 3,-0.2 -3,-0.1 0.342 111.9 100.2 78.2 -8.1 3.5 18.6 12.3 170 172 A T S S- 0 0 56 -5,-0.3 3,-0.1 2,-0.2 -3,-0.1 0.693 97.1-114.0 -80.0 -22.7 0.6 19.4 9.9 171 173 A G S S+ 0 0 81 1,-0.4 2,-0.2 -4,-0.1 -4,-0.1 0.477 80.9 121.4 97.1 5.8 1.1 23.2 10.2 172 174 A K - 0 0 93 -6,-0.3 -1,-0.4 2,-0.0 2,-0.4 -0.656 55.4-134.8 -99.5 157.4 -2.3 23.3 11.9 173 175 A T - 0 0 114 -2,-0.2 2,-0.7 -3,-0.1 -5,-0.1 -0.917 2.3-143.3-118.6 141.4 -2.9 24.7 15.5 174 176 A A - 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0 0 89 -6,-0.3 2,-0.4 0, 0.0 -1,-0.4 -0.716 58.9-138.1 -91.5 148.5 16.4 -29.8 14.0 420 175 B T - 0 0 119 -2,-0.3 2,-0.4 -3,-0.1 -5,-0.1 -0.890 3.9-134.7-112.6 141.1 20.0 -29.6 15.1 421 176 B A - 0 0 16 -2,-0.4 -7,-0.0 -7,-0.2 3,-0.0 -0.776 19.7-143.4 -92.9 132.0 22.9 -27.9 13.3 422 177 B T > - 0 0 52 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.589 22.8-115.7 -91.6 157.3 26.2 -29.8 13.0 423 178 B P H > S+ 0 0 23 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.915 118.9 52.8 -56.2 -41.7 29.6 -28.1 13.2 424 179 B E H > S+ 0 0 109 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.921 108.4 49.9 -59.9 -44.3 30.2 -29.3 9.6 425 180 B Q H > S+ 0 0 67 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.869 110.7 49.2 -63.8 -36.3 26.9 -27.7 8.5 426 181 B A H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.958 109.5 52.7 -66.5 -47.9 27.8 -24.4 10.2 427 182 B Q H X S+ 0 0 29 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.861 103.6 56.6 -53.8 -43.4 31.3 -24.4 8.5 428 183 B L H X S+ 0 0 105 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.940 111.6 42.4 -56.4 -48.5 29.8 -24.9 5.1 429 184 B V H X S+ 0 0 9 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.901 112.8 52.9 -66.2 -42.1 27.7 -21.7 5.4 430 185 B H H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.877 107.4 51.9 -61.1 -39.4 30.5 -19.7 7.1 431 186 B K H X S+ 0 0 80 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.924 111.0 48.6 -62.8 -43.3 32.8 -20.6 4.2 432 187 B E H X S+ 0 0 49 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.900 108.4 52.8 -63.8 -41.4 30.1 -19.3 1.8 433 188 B I H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.941 108.6 50.4 -60.4 -44.3 29.6 -16.1 3.7 434 189 B R H X S+ 0 0 12 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.821 106.8 55.5 -63.8 -28.8 33.3 -15.4 3.5 435 190 B K H X S+ 0 0 98 -4,-1.5 4,-3.9 2,-0.2 -1,-0.2 0.930 105.8 51.1 -67.6 -45.1 33.3 -16.0 -0.2 436 191 B I H < S+ 0 0 13 -4,-2.1 5,-0.3 1,-0.2 -2,-0.2 0.932 112.3 45.9 -56.3 -49.1 30.6 -13.4 -0.6 437 192 B V H >X>S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 3,-1.0 0.884 113.0 52.8 -61.7 -39.6 32.7 -10.9 1.3 438 193 B K H 3X5S+ 0 0 93 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.972 111.5 42.9 -63.7 -55.2 35.7 -12.0 -0.7 439 194 B D H 3<5S+ 0 0 103 -4,-3.9 -1,-0.2 1,-0.2 -2,-0.2 0.268 123.8 36.2 -83.1 23.6 34.0 -11.4 -4.1 440 195 B T H <45S+ 0 0 71 -3,-1.0 -2,-0.2 -4,-0.2 -1,-0.2 0.504 132.6 20.6-131.6 -32.7 32.4 -8.1 -3.1 441 196 B C H <5S- 0 0 29 -4,-2.7 -3,-0.2 -5,-0.3 2,-0.1 0.659 114.5 -85.3-114.3 -23.2 35.0 -6.5 -0.8 442 197 B G X< - 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0 0 77 -42,-0.2 2,-0.4 -45,-0.1 -1,-0.2 -0.553 68.3-177.8 -70.8 110.2 22.5 -22.7 20.1 457 212 B V + 0 0 9 -2,-0.7 22,-0.3 18,-0.1 2,-0.2 -0.930 9.0 156.3-115.0 132.8 26.0 -22.6 21.7 458 213 B N > - 0 0 61 -2,-0.4 4,-1.5 18,-0.1 22,-0.0 -0.773 57.7 -84.6-139.3-175.2 26.8 -24.4 25.0 459 214 B T T 4 S+ 0 0 74 -2,-0.2 4,-0.3 1,-0.2 -2,-0.0 0.653 122.7 53.3 -70.0 -17.0 29.7 -25.8 26.9 460 215 B E T 4 S+ 0 0 171 1,-0.1 4,-0.3 2,-0.1 -1,-0.2 0.887 117.8 28.8 -87.3 -40.5 29.4 -29.1 25.1 461 216 B N T > S+ 0 0 42 1,-0.1 4,-1.3 2,-0.1 -2,-0.2 0.553 95.3 87.4 -99.9 -5.7 29.4 -28.0 21.5 462 217 B C H X S+ 0 0 5 -4,-1.5 4,-3.3 1,-0.2 3,-0.4 0.920 87.5 50.6 -61.0 -47.7 31.6 -24.8 21.5 463 218 B S H > S+ 0 0 64 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.920 111.8 49.0 -57.2 -44.0 35.0 -26.4 21.1 464 219 B S H 4 S+ 0 0 46 -4,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.763 116.2 43.8 -68.9 -23.4 33.7 -28.4 18.1 465 220 B L H >< S+ 0 0 4 -4,-1.3 3,-1.9 -3,-0.4 -2,-0.2 0.933 111.5 49.9 -84.2 -51.4 32.3 -25.2 16.6 466 221 B I H 3< S+ 0 0 0 -4,-3.3 5,-0.2 1,-0.3 -2,-0.2 0.794 101.4 66.1 -57.7 -29.6 35.2 -22.8 17.2 467 222 B Q T 3< S+ 0 0 138 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.1 0.658 77.4 105.1 -69.0 -15.5 37.6 -25.4 15.7 468 223 B Q S X S- 0 0 50 -3,-1.9 3,-1.4 -4,-0.2 -3,-0.0 -0.430 81.6-119.0 -68.5 142.4 36.1 -25.0 12.3 469 224 B E T 3 S+ 0 0 150 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.847 107.0 33.3 -46.3 -49.8 38.2 -23.0 9.8 470 225 B D T 3 S+ 0 0 22 -43,-0.1 2,-0.6 -20,-0.0 -1,-0.2 0.218 93.4 95.2-101.0 15.4 35.6 -20.2 9.1 471 226 B I < + 0 0 0 -3,-1.4 -19,-0.2 -6,-0.2 3,-0.1 -0.933 45.6 176.9-105.7 115.7 33.9 -19.9 12.5 472 227 B D - 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