==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 21-DEC-10 3Q37 . COMPND 2 MOLECULE: TIM FROM TRYPANOSOMA CRUZI/ TIM FROM TRYPANOSOMA . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI, TRYPANOSOMA BRUCEI . AUTHOR I.GARCIA-TORRES,N.CABRERA,A.TORRES-LARIOS,M.RODRIGUEZ-BOLANO . 981 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38049.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 710 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 152 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 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 . 80 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 322 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.6 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 8 13 7 0 0 0 0 3 7 2 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 4 4 12 8 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 PARALLEL BRIDGES PER LADDER . 4 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 4 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 K 0 0 126 0, 0.0 197,-0.1 0, 0.0 199,-0.1 0.000 360.0 360.0 360.0 148.1 -46.2 -10.0 -16.2 2 5 A P - 0 0 24 0, 0.0 196,-0.1 0, 0.0 197,-0.1 -0.196 360.0 -60.7 -73.3 174.6 -42.9 -8.6 -17.5 3 6 A Q - 0 0 64 195,-0.1 32,-0.2 1,-0.1 219,-0.0 -0.385 64.3-125.8 -56.9 124.9 -39.5 -9.9 -16.4 4 7 A P - 0 0 10 0, 0.0 32,-2.5 0, 0.0 2,-0.4 -0.311 16.3-145.0 -73.7 160.8 -39.3 -9.3 -12.6 5 8 A I E -ab 36 223A 0 217,-1.8 219,-1.8 30,-0.2 2,-0.6 -0.993 8.4-165.4-124.7 131.3 -36.4 -7.4 -10.9 6 9 A A E -ab 37 224A 0 30,-2.0 32,-2.3 -2,-0.4 2,-0.4 -0.953 21.3-175.3-112.6 109.8 -35.0 -8.2 -7.4 7 10 A A E -ab 38 225A 2 217,-2.7 219,-3.1 -2,-0.6 2,-0.7 -0.878 17.4-151.3-114.8 134.6 -33.0 -5.2 -6.4 8 11 A A E -ab 39 226A 1 30,-2.7 32,-2.9 -2,-0.4 2,-0.9 -0.904 5.2-166.3-106.8 109.9 -30.8 -4.8 -3.3 9 12 A N E -a 40 0A 2 217,-2.9 221,-0.2 -2,-0.7 222,-0.1 -0.823 6.1-178.2 -93.1 101.0 -30.4 -1.3 -2.0 10 13 A W - 0 0 0 30,-1.5 -1,-0.2 -2,-0.9 3,-0.1 0.631 21.2-169.8 -73.4 -10.3 -27.6 -1.5 0.5 11 14 A K - 0 0 40 29,-0.4 2,-1.6 1,-0.2 -1,-0.2 -0.160 59.3 -20.7 49.0-147.0 -28.0 2.2 1.3 12 15 A C B S+I 315 0B 0 303,-1.8 303,-2.4 -3,-0.1 2,-0.3 -0.508 112.8 101.4 -94.0 70.1 -25.2 3.7 3.4 13 16 A N + 0 0 45 -2,-1.6 29,-0.4 301,-0.2 2,-0.1 -0.974 35.4 73.2-145.4 159.6 -24.0 0.4 4.9 14 17 A G - 0 0 22 -2,-0.3 2,-0.3 27,-0.1 3,-0.0 -0.124 41.2-134.3 119.7 149.9 -21.3 -2.2 4.7 15 18 A S > - 0 0 32 -2,-0.1 4,-2.6 1,-0.1 5,-0.3 -0.859 37.2-105.5-125.1 166.9 -17.7 -3.0 5.4 16 19 A Q H > S+ 0 0 69 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.902 121.8 44.5 -59.3 -41.0 -15.2 -4.7 3.1 17 20 A Q H > S+ 0 0 137 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.946 114.7 46.0 -68.6 -48.4 -15.4 -7.8 5.2 18 21 A S H > S+ 0 0 53 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.918 115.5 45.5 -65.5 -42.4 -19.2 -7.9 5.5 19 22 A L H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.813 109.0 56.3 -72.8 -28.9 -19.9 -7.2 1.9 20 23 A S H X S+ 0 0 23 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.2 0.932 108.5 47.9 -64.6 -44.1 -17.3 -9.7 0.7 21 24 A E H X S+ 0 0 137 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.887 113.4 47.7 -61.3 -40.3 -19.1 -12.4 2.7 22 25 A L H X S+ 0 0 14 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.910 110.8 50.4 -71.9 -40.6 -22.5 -11.4 1.3 23 26 A I H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 31,-0.2 0.875 105.7 56.8 -65.2 -35.9 -21.2 -11.3 -2.3 24 27 A D H X S+ 0 0 70 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.900 107.5 48.9 -62.0 -37.4 -19.7 -14.7 -1.9 25 28 A L H >< S+ 0 0 56 -4,-1.4 3,-0.5 2,-0.2 4,-0.4 0.933 110.2 50.0 -65.9 -46.4 -23.2 -16.0 -0.9 26 29 A F H >< S+ 0 0 1 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.887 108.3 55.1 -57.5 -39.6 -24.7 -14.3 -3.9 27 30 A N H 3< S+ 0 0 40 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.812 108.5 47.1 -63.3 -31.3 -22.0 -15.9 -6.1 28 31 A S T << S+ 0 0 92 -4,-1.2 2,-0.7 -3,-0.5 -1,-0.3 0.381 90.5 100.1 -92.6 3.6 -23.0 -19.4 -4.8 29 32 A T < - 0 0 20 -3,-1.2 2,-0.7 -4,-0.4 -4,-0.0 -0.809 68.9-142.4 -95.0 113.6 -26.7 -18.7 -5.4 30 33 A S - 0 0 90 -2,-0.7 2,-0.8 1,-0.0 -2,-0.1 -0.632 9.9-159.5 -80.8 114.2 -27.9 -20.3 -8.6 31 34 A I + 0 0 12 -2,-0.7 4,-0.1 1,-0.1 -1,-0.0 -0.839 21.6 164.8 -93.3 111.4 -30.5 -18.0 -10.2 32 35 A N + 0 0 126 -2,-0.8 2,-0.2 2,-0.1 -1,-0.1 0.647 46.7 67.9-108.2 -18.7 -32.5 -20.3 -12.5 33 36 A H S S- 0 0 41 1,-0.0 2,-1.3 2,-0.0 210,-0.1 -0.501 97.7 -82.9 -99.8 172.3 -35.6 -18.4 -13.5 34 37 A D S S+ 0 0 111 -2,-0.2 2,-0.3 2,-0.0 -2,-0.1 -0.621 77.6 126.1 -81.7 95.2 -36.0 -15.3 -15.6 35 38 A V - 0 0 5 -2,-1.3 2,-0.7 -32,-0.2 -30,-0.2 -0.985 53.9-134.1-147.4 139.5 -35.3 -12.5 -13.1 36 39 A Q E -a 5 0A 40 -32,-2.5 -30,-2.0 -2,-0.3 2,-0.3 -0.899 23.0-159.1 -97.1 117.7 -32.9 -9.6 -13.2 37 40 A C E -ac 6 58A 0 20,-2.5 22,-2.1 -2,-0.7 2,-0.4 -0.743 9.3-172.8 -95.3 146.0 -31.1 -9.2 -10.0 38 41 A V E -ac 7 59A 2 -32,-2.3 -30,-2.7 -2,-0.3 2,-0.4 -0.997 10.4-164.6-137.0 138.5 -29.5 -5.9 -9.1 39 42 A V E -ac 8 60A 1 20,-2.3 22,-2.8 -2,-0.4 -30,-0.2 -0.995 3.8-163.7-123.4 133.6 -27.2 -4.9 -6.2 40 43 A A E +a 9 0A 2 -32,-2.9 -30,-1.5 -2,-0.4 -29,-0.4 -0.820 14.2 178.0-119.1 92.7 -26.6 -1.2 -5.3 41 44 A P - 0 0 0 0, 0.0 22,-0.5 0, 0.0 5,-0.1 -0.364 41.8 -84.3 -78.6 165.4 -23.6 -0.6 -3.1 42 45 A T >> - 0 0 2 -29,-0.4 3,-1.1 -31,-0.2 4,-0.8 -0.294 48.4-103.0 -55.4 157.6 -22.3 2.7 -1.9 43 46 A F G >4 S+ 0 0 8 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.876 123.3 56.6 -51.3 -39.3 -20.0 4.4 -4.4 44 47 A L G 34 S+ 0 0 0 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.800 109.3 45.9 -67.2 -26.6 -17.0 3.4 -2.3 45 48 A H G <> S+ 0 0 0 -3,-1.1 4,-1.9 1,-0.2 -1,-0.3 0.459 87.1 89.3 -97.4 -4.5 -17.9 -0.2 -2.5 46 49 A I H S+ 0 0 14 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.932 112.7 46.1 -59.7 -44.2 -15.1 -1.3 -7.3 48 51 A M H > S+ 0 0 32 -4,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.861 114.7 48.3 -64.6 -32.9 -14.8 -4.2 -4.8 49 52 A T H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.925 110.5 50.8 -73.5 -41.7 -18.3 -5.4 -5.8 50 53 A K H < S+ 0 0 88 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.888 113.2 46.6 -59.2 -40.6 -17.5 -5.3 -9.5 51 54 A A H < S+ 0 0 90 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.803 121.7 34.7 -72.8 -30.3 -14.3 -7.2 -8.9 52 55 A R H < S+ 0 0 107 -4,-1.5 2,-0.3 -5,-0.2 -2,-0.2 0.786 91.6 92.0-100.4 -32.1 -15.8 -9.9 -6.7 53 56 A L < + 0 0 24 -4,-3.0 -29,-0.1 -5,-0.2 7,-0.1 -0.519 36.7 162.1 -72.1 127.2 -19.4 -10.5 -8.0 54 57 A T + 0 0 102 -2,-0.3 -1,-0.2 -31,-0.2 -30,-0.0 0.486 30.9 120.3-117.7 -14.3 -19.4 -13.3 -10.6 55 58 A N > - 0 0 14 1,-0.2 3,-1.9 2,-0.1 -28,-0.1 -0.385 54.3-150.0 -62.7 117.0 -23.1 -14.2 -10.7 56 59 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 -29,-0.0 0.638 92.1 61.7 -66.8 -13.8 -24.3 -13.6 -14.3 57 60 A K T 3 S+ 0 0 85 -21,-0.1 -20,-2.5 2,-0.0 2,-0.4 0.405 91.5 86.7 -92.0 3.0 -27.8 -12.8 -13.3 58 61 A F E < -c 37 0A 17 -3,-1.9 2,-0.3 -22,-0.2 -20,-0.2 -0.865 53.3-171.9-107.5 135.8 -26.7 -9.8 -11.2 59 62 A Q E -c 38 0A 73 -22,-2.1 -20,-2.3 -2,-0.4 2,-0.4 -0.915 23.2-126.8-114.7 148.9 -26.1 -6.2 -12.4 60 63 A I E -c 39 0A 18 -2,-0.3 28,-0.7 -22,-0.2 27,-0.6 -0.803 27.6-171.6 -96.8 136.8 -24.5 -3.5 -10.2 61 64 A A E -d 88 0A 0 -22,-2.8 2,-0.3 -2,-0.4 28,-0.3 -0.901 21.1-125.9-121.9 153.7 -26.3 -0.2 -9.7 62 65 A A E -d 89 0A 0 26,-2.0 28,-2.5 -2,-0.3 -20,-0.1 -0.698 16.7-135.8 -87.7 154.5 -25.4 3.2 -8.2 63 66 A Q S S- 0 0 3 -22,-0.5 2,-0.3 -2,-0.3 30,-0.3 0.523 81.8 -11.4 -85.4 -8.7 -27.7 4.6 -5.5 64 67 A N - 0 0 1 255,-0.1 2,-0.3 27,-0.1 -1,-0.2 -0.955 61.8-175.0-174.2 168.8 -27.6 8.0 -7.0 65 68 A A - 0 0 2 -2,-0.3 2,-0.3 -3,-0.1 12,-0.2 -0.952 22.1-130.1-164.9 157.9 -25.8 10.2 -9.6 66 69 A I B -j 77 0C 17 10,-2.0 12,-2.0 -2,-0.3 13,-0.2 -0.771 33.9-117.5-103.3 167.8 -25.5 13.7 -10.9 67 70 A T S S+ 0 0 51 -2,-0.3 12,-0.5 10,-0.2 2,-0.4 0.947 83.2 27.2 -75.0 -49.7 -25.7 14.2 -14.7 68 71 A R S S- 0 0 80 10,-0.1 -1,-0.1 9,-0.1 189,-0.1 -0.891 74.4-114.1-123.6 144.2 -22.3 15.7 -15.7 69 72 A S + 0 0 31 -2,-0.4 2,-0.3 8,-0.1 189,-0.2 -0.345 65.6 90.4 -62.9 149.9 -18.7 15.7 -14.5 70 73 A G B S-K 257 0D 17 187,-1.9 2,-2.4 2,-0.1 187,-1.7 -0.995 82.9 -10.9 158.9-153.3 -17.4 19.0 -13.3 71 74 A A S S+ 0 0 45 -2,-0.3 2,-0.3 185,-0.2 185,-0.1 -0.414 82.8 122.9 -80.0 68.0 -17.1 21.3 -10.3 72 75 A F > - 0 0 60 -2,-2.4 3,-2.3 3,-0.1 -1,-0.1 -0.615 52.4-151.4-130.4 72.6 -19.4 19.4 -8.0 73 76 A T T 3 S+ 0 0 0 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 -0.154 77.5 12.9 -54.7 129.8 -17.3 18.5 -5.0 74 77 A G T 3 S+ 0 0 5 1,-0.3 -1,-0.3 235,-0.1 2,-0.2 0.219 104.0 108.2 92.1 -12.0 -18.4 15.2 -3.3 75 78 A E < - 0 0 10 -3,-2.3 2,-0.4 233,-0.1 -1,-0.3 -0.514 57.2-141.4 -99.3 164.8 -20.6 14.0 -6.1 76 79 A V - 0 0 0 -2,-0.2 -10,-2.0 -3,-0.1 2,-0.2 -0.996 20.7-145.9-125.3 131.9 -20.4 11.2 -8.7 77 80 A S B > -j 66 0C 0 -2,-0.4 4,-2.2 -12,-0.2 3,-0.3 -0.490 25.0-115.7 -97.0 160.9 -21.6 11.7 -12.3 78 81 A L H > S+ 0 0 8 -12,-2.0 4,-2.6 -11,-0.2 5,-0.2 0.834 116.7 59.8 -56.8 -34.0 -23.2 9.4 -14.8 79 82 A Q H > S+ 0 0 74 -12,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.904 106.6 45.0 -62.5 -41.2 -20.0 9.9 -17.0 80 83 A I H > S+ 0 0 1 -3,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.905 112.4 51.2 -71.6 -41.4 -17.8 8.5 -14.2 81 84 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 3,-0.6 0.941 110.0 49.9 -59.2 -46.0 -20.2 5.6 -13.6 82 85 A K H ><5S+ 0 0 94 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.895 106.2 55.5 -62.2 -40.5 -20.2 4.7 -17.3 83 86 A D H 3<5S+ 0 0 65 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.805 108.1 50.1 -59.0 -30.4 -16.4 4.8 -17.4 84 87 A Y T <<5S- 0 0 17 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.321 122.6-109.2 -92.0 7.1 -16.5 2.2 -14.6 85 88 A G T < 5 + 0 0 53 -3,-1.8 2,-0.5 1,-0.3 -3,-0.2 0.767 69.3 145.2 73.9 25.7 -19.0 0.1 -16.6 86 89 A I < + 0 0 5 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.1 -0.854 16.6 168.7 -96.5 127.4 -22.0 0.8 -14.4 87 90 A S + 0 0 43 -27,-0.6 33,-2.7 -2,-0.5 2,-0.4 0.265 52.4 71.2-126.4 11.2 -25.2 0.9 -16.3 88 91 A W E +de 61 120A 8 -28,-0.7 -26,-2.0 31,-0.2 2,-0.3 -0.965 54.1 175.6-125.2 145.5 -28.0 0.9 -13.7 89 92 A V E -de 62 121A 0 31,-1.8 33,-2.4 -2,-0.4 2,-0.5 -0.987 25.4-137.7-151.5 141.0 -28.8 3.7 -11.2 90 93 A V E - e 0 122A 2 -28,-2.5 2,-0.4 -2,-0.3 33,-0.2 -0.852 30.7-176.3 -95.2 130.2 -31.5 4.3 -8.6 91 94 A L E + e 0 123A 2 31,-2.7 33,-2.7 -2,-0.5 -27,-0.1 -0.976 53.1 17.8-133.2 143.3 -32.9 7.8 -8.7 92 95 A G S S+ 0 0 0 -2,-0.4 -1,-0.1 1,-0.2 5,-0.1 0.686 70.7 178.2 80.2 18.4 -35.4 9.8 -6.6 93 96 A H >> - 0 0 7 -30,-0.3 4,-2.0 1,-0.1 3,-1.5 -0.271 41.0-114.1 -54.6 143.1 -35.2 7.6 -3.6 94 97 A S H 3> S+ 0 0 28 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.738 115.1 58.3 -51.7 -28.9 -37.4 8.9 -0.7 95 98 A E H 3> S+ 0 0 22 2,-0.2 4,-2.7 1,-0.2 5,-0.4 0.836 108.1 45.0 -75.1 -29.9 -34.4 9.5 1.5 96 99 A R H <> S+ 0 0 8 -3,-1.5 6,-1.8 2,-0.2 4,-1.2 0.847 111.2 52.6 -80.5 -35.0 -32.9 11.8 -1.1 97 100 A R H < S+ 0 0 46 -4,-2.0 4,-0.2 4,-0.2 -2,-0.2 0.868 118.6 39.6 -62.2 -35.0 -36.2 13.6 -1.7 98 101 A A H < S+ 0 0 71 -4,-1.7 -2,-0.2 -5,-0.2 3,-0.2 0.950 131.0 18.3 -79.7 -53.2 -36.3 14.1 2.1 99 102 A Y H < S+ 0 0 137 -4,-2.7 -3,-0.2 1,-0.1 -2,-0.1 0.707 125.0 45.4 -96.4 -27.3 -32.7 14.9 3.1 100 103 A Y S < S- 0 0 61 -4,-1.2 -1,-0.1 -5,-0.4 -3,-0.1 0.056 103.5-110.0-120.9 24.4 -30.9 16.0 0.0 101 104 A G + 0 0 49 -4,-0.2 2,-1.1 1,-0.2 -4,-0.2 0.654 52.9 164.6 64.8 23.3 -33.4 18.4 -1.6 102 105 A E - 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0 0 13 -40,-3.1 2,-2.3 -2,-0.6 3,-0.2 -0.909 12.9-153.1-106.0 109.9 -12.3 29.9 -0.4 411 169 B P > + 0 0 8 0, 0.0 3,-2.1 0, 0.0 40,-0.1 -0.515 25.8 169.0 -77.7 74.7 -12.7 33.4 -1.9 412 170 B V T 3 + 0 0 63 -2,-2.3 -39,-0.2 -40,-0.3 -38,-0.2 0.836 67.6 72.5 -57.7 -32.5 -15.9 32.3 -3.6 413 171 B W T 3 0 0 36 -41,-1.5 -1,-0.3 -40,-0.2 -40,-0.1 0.745 360.0 360.0 -53.9 -28.6 -16.4 36.0 -4.4 414 172 B A < 0 0 86 -3,-2.1 -1,-0.2 -41,-0.0 -2,-0.2 0.897 360.0 360.0 -84.5 360.0 -13.6 35.8 -6.9 415 ! 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 0.0 416 179 B A 0 0 57 0, 0.0 34,-0.0 0, 0.0 35,-0.0 0.000 360.0 360.0 360.0 142.8 -7.9 37.6 -5.4 417 180 B T > - 0 0 58 1,-0.1 4,-2.2 43,-0.0 5,-0.2 -0.494 360.0-111.4 -82.7 160.0 -4.6 39.2 -4.6 418 181 B P H > S+ 0 0 27 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.881 121.4 54.2 -58.5 -37.0 -2.2 37.7 -2.1 419 182 B Q H > S+ 0 0 113 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.888 106.0 51.2 -62.2 -41.8 -2.9 40.6 0.2 420 183 B Q H > S+ 0 0 61 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.910 113.3 45.7 -60.8 -42.9 -6.7 39.9 0.0 421 184 B A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 3,-0.3 0.953 111.8 51.0 -61.4 -51.0 -6.0 36.3 0.9 422 185 B Q H X S+ 0 0 26 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.860 103.7 59.6 -57.8 -36.3 -3.7 37.2 3.8 423 186 B E H X S+ 0 0 116 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.927 111.6 39.2 -60.6 -45.6 -6.3 39.6 5.2 424 187 B V H X S+ 0 0 2 -4,-1.4 4,-2.4 -3,-0.3 -2,-0.2 0.911 114.4 53.2 -69.6 -43.5 -8.8 36.7 5.6 425 188 B H H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.914 110.7 47.9 -58.3 -42.8 -6.2 34.2 6.8 426 189 B E H X S+ 0 0 55 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.919 110.3 51.2 -65.1 -42.1 -5.0 36.6 9.5 427 190 B L H X S+ 0 0 60 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.887 111.7 48.8 -61.4 -39.8 -8.5 37.3 10.6 428 191 B L H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.940 112.8 45.8 -64.1 -48.4 -9.2 33.6 10.9 429 192 B R H X S+ 0 0 13 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.877 110.4 53.4 -66.4 -38.8 -6.0 32.8 12.8 430 193 B R H X S+ 0 0 144 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.884 107.5 51.6 -64.7 -37.5 -6.5 35.7 15.2 431 194 B W H X S+ 0 0 40 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.953 111.0 47.9 -62.3 -48.9 -10.0 34.5 16.0 432 195 B V H X>S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 5,-0.6 0.918 109.7 53.2 -56.3 -44.1 -8.6 31.0 16.8 433 196 B R H X5S+ 0 0 97 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.899 108.9 49.7 -60.3 -39.0 -5.9 32.6 19.0 434 197 B S H <5S+ 0 0 78 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.834 121.3 33.6 -69.5 -31.3 -8.5 34.4 21.0 435 198 B K H <5S+ 0 0 131 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.788 133.6 21.3 -94.6 -32.4 -10.6 31.3 21.6 436 199 B L H <5S- 0 0 39 -4,-3.2 4,-0.4 1,-0.2 -3,-0.2 0.511 105.0-113.8-121.3 -12.3 -8.0 28.5 21.8 437 200 B G X< - 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0 0 29 -4,-1.7 4,-1.9 -5,-0.6 -1,-0.2 -0.222 37.6 -59.2 101.4 175.3 14.5 42.6 -15.4 937 201 D T H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.849 122.8 54.7 -68.6 -38.6 17.9 43.3 -17.0 938 202 D D H > S+ 0 0 127 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.963 113.2 40.1 -61.5 -52.6 19.2 39.7 -17.1 939 203 D I H > S+ 0 0 31 -4,-0.4 4,-1.4 1,-0.2 -2,-0.2 0.905 115.3 52.1 -68.0 -39.5 16.2 38.3 -19.0 940 204 D A H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.878 110.2 49.1 -60.9 -39.3 15.9 41.3 -21.3 941 205 D A H < S+ 0 0 51 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.848 113.9 44.2 -72.3 -33.8 19.6 41.1 -22.3 942 206 D Q H < S+ 0 0 136 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.643 89.1 107.9 -86.5 -17.0 19.5 37.4 -23.1 943 207 D L < - 0 0 6 -4,-1.4 2,-0.5 -5,-0.2 -43,-0.1 -0.417 63.3-140.1 -67.6 129.5 16.3 37.4 -25.0 944 208 D R E -l 900 0K 26 -45,-0.5 -43,-2.5 -2,-0.2 2,-0.5 -0.812 16.4-170.8 -86.4 126.4 16.5 37.0 -28.8 945 209 D I E -l 901 0K 0 -2,-0.5 21,-2.8 -45,-0.2 2,-0.3 -0.972 12.4-157.0-118.1 115.0 14.0 39.2 -30.6 946 210 D L E -l 902 0K 0 -45,-3.6 -43,-3.1 -2,-0.5 2,-0.5 -0.684 14.7-125.9 -98.1 143.1 13.9 38.3 -34.3 947 211 D Y E -lm 903 968K 6 20,-2.9 22,-2.3 -2,-0.3 -43,-0.2 -0.753 24.2-178.9 -85.7 128.0 12.9 40.5 -37.2 948 212 D G + 0 0 17 -45,-2.9 -1,-0.1 -2,-0.5 3,-0.1 0.032 46.7 98.2-119.2 25.5 10.2 38.8 -39.3 949 213 D G S S- 0 0 17 1,-0.2 2,-0.7 -45,-0.1 22,-0.4 0.085 93.4 -36.5 -86.6-154.6 9.6 41.4 -42.0 950 214 D S - 0 0 85 -45,-0.1 2,-0.4 20,-0.1 -1,-0.2 -0.614 66.6-177.3 -74.3 114.0 11.0 41.3 -45.5 951 215 D V + 0 0 9 -2,-0.7 2,-0.3 -3,-0.1 22,-0.2 -0.961 5.2 169.8-119.6 128.2 14.6 40.0 -45.3 952 216 D T > - 0 0 34 -2,-0.4 4,-1.8 29,-0.1 3,-0.2 -0.848 50.3-106.1-129.7 165.3 16.9 39.7 -48.3 953 217 D A T 4 S+ 0 0 33 -2,-0.3 4,-0.4 1,-0.2 -1,-0.1 0.818 122.1 52.9 -56.0 -29.1 20.5 39.0 -49.0 954 218 D K T 4 S+ 0 0 149 1,-0.2 4,-0.2 2,-0.1 -1,-0.2 0.831 118.9 28.0 -81.2 -34.6 20.7 42.7 -49.7 955 219 D N T > S+ 0 0 48 -3,-0.2 4,-2.4 2,-0.1 5,-0.2 0.478 93.1 93.2-108.6 -4.5 19.2 44.1 -46.5 956 220 D A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.905 88.1 46.2 -59.3 -46.5 20.1 41.4 -43.9 957 221 D R H > S+ 0 0 163 -4,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.919 111.9 51.6 -66.0 -40.7 23.3 42.9 -42.7 958 222 D T H 4 S+ 0 0 62 -4,-0.2 4,-0.4 1,-0.2 3,-0.3 0.910 111.4 47.3 -61.6 -43.8 21.8 46.4 -42.4 959 223 D L H >< S+ 0 0 6 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.917 107.7 55.2 -60.8 -43.0 18.9 45.0 -40.3 960 224 D Y H 3< S+ 0 0 41 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.766 93.7 72.4 -66.7 -21.3 21.3 43.1 -38.1 961 225 D Q T 3< S+ 0 0 139 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.761 75.8 102.6 -56.9 -26.8 23.1 46.4 -37.4 962 226 D M S X S- 0 0 34 -3,-1.8 3,-1.5 -4,-0.4 -44,-0.0 -0.367 79.6-126.4 -72.0 140.8 20.2 47.5 -35.3 963 227 D R T 3 S+ 0 0 123 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.795 103.2 36.9 -55.2 -37.5 20.8 47.2 -31.5 964 228 D D T 3 S+ 0 0 15 -224,-0.1 2,-0.6 -20,-0.0 -1,-0.3 0.178 90.7 100.9-110.5 16.9 17.7 45.1 -30.6 965 229 D I < + 0 0 0 -3,-1.5 -19,-0.2 -5,-0.2 3,-0.1 -0.909 41.1 177.3-104.0 122.6 17.5 42.8 -33.6 966 230 D N - 0 0 0 -21,-2.8 -222,-1.9 -2,-0.6 2,-0.3 0.071 58.5 -58.2-113.9 25.3 19.0 39.3 -33.0 967 231 D G E -g 744 0K 0 -22,-0.3 -20,-2.9 -224,-0.2 2,-0.3 -0.922 66.0 -65.7 129.1-160.1 18.3 37.6 -36.2 968 232 D F E -gm 745 947K 0 -224,-1.9 -222,-2.7 -2,-0.3 2,-0.6 -0.950 2.7-152.6-142.1 144.7 15.4 36.8 -38.5 969 233 D L E -g 746 0K 8 -22,-2.3 2,-0.4 -2,-0.3 -222,-0.2 -0.950 42.2-156.5-110.9 102.0 12.3 34.8 -39.0 970 234 D V E -g 747 0K 2 -224,-3.2 -222,-2.9 -2,-0.6 -20,-0.1 -0.672 17.3-175.5 -95.6 131.4 12.4 34.5 -42.8 971 235 D G > - 0 0 20 -22,-0.4 3,-2.5 -2,-0.4 4,-0.3 0.634 69.6 -1.2 -86.6-116.8 9.5 34.0 -45.1 972 236 D G G > S+ 0 0 55 1,-0.3 3,-1.7 2,-0.2 -2,-0.1 0.762 125.8 60.3 -50.2 -38.6 9.7 33.5 -48.9 973 237 D A G > S+ 0 0 14 1,-0.3 3,-1.6 -22,-0.2 6,-0.6 0.703 90.8 71.8 -65.5 -18.0 13.5 33.9 -49.2 974 238 D S G < S+ 0 0 0 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.663 91.7 57.4 -74.1 -14.5 13.8 30.9 -46.9 975 239 D L G < S+ 0 0 50 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.277 103.8 69.9 -91.5 8.4 12.7 28.7 -49.8 976 240 D K S X S- 0 0 110 -3,-1.6 3,-2.2 1,-0.1 4,-0.3 -0.847 94.4-109.1-124.4 158.6 15.5 30.0 -51.9 977 241 D P T >> S+ 0 0 88 0, 0.0 3,-1.4 0, 0.0 4,-0.6 0.752 109.5 81.3 -54.6 -21.2 19.3 29.6 -52.0 978 242 D E H >> S+ 0 0 34 1,-0.3 4,-1.7 2,-0.2 3,-0.6 0.740 72.7 76.7 -56.2 -26.0 19.3 33.2 -50.8 979 243 D F H <> S+ 0 0 0 -3,-2.2 4,-2.2 -6,-0.6 -1,-0.3 0.863 88.7 54.7 -59.0 -35.9 18.7 32.0 -47.3 980 244 D V H <> S+ 0 0 20 -3,-1.4 4,-1.7 -4,-0.3 -1,-0.3 0.846 105.1 54.2 -70.7 -26.8 22.3 31.0 -46.8 981 245 D E H < S+ 0 0 0 -4,-1.7 3,-0.9 2,-0.2 4,-0.3 0.899 106.0 54.0 -66.2 -40.1 21.0 35.8 -45.0 983 247 D I H >< S+ 0 0 1 -4,-2.2 3,-2.0 1,-0.3 -2,-0.2 0.922 103.5 56.0 -57.3 -44.5 22.7 33.4 -42.5 984 248 D E H 3< S+ 0 0 89 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.740 96.7 67.4 -60.9 -19.9 26.0 34.9 -43.4 985 249 D A T << 0 0 8 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.534 360.0 360.0 -80.1 -7.7 24.5 38.3 -42.5 986 250 D T < 0 0 24 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.378 360.0 360.0 -87.6 360.0 24.3 37.4 -38.8