==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 08-SEP-09 2WSR . COMPND 2 MOLECULE: TRIOSE PHOSPHATE ISOMERASE, GLYCOSOMAL; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR E.RUDINO-PINERA,S.P.ROJAS-TREJO,R.ARREOLA,G.SAAB-RINCON, . 242 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10964.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 19 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 2 2 1 1 0 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 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 2 A S 0 0 174 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.2 28.8 -8.3 -34.2 2 3 A K - 0 0 74 1,-0.1 195,-0.1 218,-0.0 197,-0.1 -0.268 360.0-124.2 -66.1 144.7 27.2 -7.0 -31.0 3 4 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 195,-0.1 -0.193 56.3 -56.1 -72.1 177.5 27.2 -9.0 -27.7 4 5 A Q - 0 0 62 193,-0.1 32,-0.1 1,-0.1 217,-0.0 -0.407 63.6-127.4 -58.0 123.7 23.9 -9.9 -25.9 5 6 A P - 0 0 11 0, 0.0 32,-2.4 0, 0.0 2,-0.4 -0.288 17.6-148.2 -70.7 160.1 22.0 -6.6 -25.1 6 7 A I E -ab 37 222A 0 215,-1.5 217,-1.8 30,-0.2 2,-0.5 -0.988 10.4-166.9-127.6 137.5 20.7 -5.6 -21.6 7 8 A A E -ab 38 223A 0 30,-2.1 32,-2.2 -2,-0.4 2,-0.4 -0.967 19.2-171.9-122.0 112.8 17.6 -3.6 -20.6 8 9 A A E -ab 39 224A 1 215,-2.6 217,-2.8 -2,-0.5 2,-0.5 -0.911 13.6-155.7-117.1 130.6 17.7 -2.6 -16.9 9 10 A A E -ab 40 225A 1 30,-3.1 32,-2.7 -2,-0.4 2,-0.7 -0.907 4.2-167.5-101.8 117.8 15.0 -1.0 -14.8 10 11 A N E -a 41 0A 21 215,-3.0 219,-0.2 -2,-0.5 220,-0.1 -0.912 5.7-178.8-105.4 105.1 16.1 1.0 -11.7 11 12 A W > - 0 0 2 30,-1.7 3,-2.3 -2,-0.7 32,-0.1 0.511 13.3-173.3 -77.7 -5.3 13.0 1.7 -9.6 12 13 A K T 3 - 0 0 72 29,-0.4 -1,-0.2 1,-0.3 31,-0.2 -0.196 67.8 -33.5 38.8-127.2 14.9 3.7 -6.8 13 14 A C T 3 S+ 0 0 107 29,-0.1 -1,-0.3 30,-0.1 2,-0.1 0.264 109.1 121.0 -98.6 11.4 12.3 4.4 -4.0 14 15 A N < + 0 0 88 -3,-2.3 29,-0.2 2,-0.0 -3,-0.0 -0.370 44.1 31.6 -83.7 154.0 9.3 4.8 -6.3 15 16 A G - 0 0 33 -2,-0.1 2,-0.2 4,-0.0 3,-0.0 0.266 66.9-104.0 91.2 151.1 6.0 2.9 -6.5 16 17 A S > - 0 0 60 1,-0.1 4,-2.6 0, 0.0 5,-0.3 -0.604 40.2-102.1 -97.8 168.2 3.6 1.2 -4.1 17 18 A Q H > S+ 0 0 105 -2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.905 124.7 48.1 -58.9 -37.8 3.3 -2.6 -3.8 18 19 A Q H > S+ 0 0 145 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.928 112.5 45.3 -65.7 -47.7 0.1 -2.4 -5.9 19 20 A S H > S+ 0 0 46 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.920 115.4 47.8 -66.1 -42.7 1.5 -0.2 -8.7 20 21 A L H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.848 107.6 56.4 -63.5 -35.3 4.7 -2.2 -8.9 21 22 A S H X S+ 0 0 15 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.822 103.3 54.5 -68.4 -31.0 2.7 -5.5 -9.0 22 23 A E H X S+ 0 0 125 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.900 108.5 49.1 -66.2 -41.5 0.8 -4.2 -12.1 23 24 A L H X S+ 0 0 16 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.924 108.6 52.9 -63.6 -44.6 4.1 -3.6 -13.9 24 25 A I H X S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 31,-0.2 0.933 107.5 51.7 -55.7 -45.7 5.3 -7.1 -13.0 25 26 A D H X S+ 0 0 70 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.918 109.7 50.3 -60.4 -42.6 2.1 -8.6 -14.5 26 27 A L H < S+ 0 0 56 -4,-2.1 3,-0.3 2,-0.2 -1,-0.2 0.947 111.8 46.9 -54.6 -51.7 2.7 -6.6 -17.7 27 28 A F H >< S+ 0 0 1 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.944 110.5 53.1 -57.7 -48.3 6.3 -7.9 -17.9 28 29 A N H 3< S+ 0 0 43 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.826 109.3 49.4 -54.3 -35.1 5.2 -11.5 -17.2 29 30 A S T 3< S+ 0 0 93 -4,-1.7 2,-0.5 -3,-0.3 -1,-0.3 0.236 89.5 105.5 -91.7 7.8 2.6 -11.3 -20.1 30 31 A T < - 0 0 18 -3,-1.8 2,-0.6 -4,-0.2 -3,-0.0 -0.816 61.5-144.8 -96.6 125.6 5.1 -10.0 -22.7 31 32 A S - 0 0 83 -2,-0.5 2,-0.6 2,-0.0 -2,-0.1 -0.793 15.1-164.6 -84.8 123.1 6.5 -12.3 -25.5 32 33 A I - 0 0 11 -2,-0.6 4,-0.1 1,-0.1 -2,-0.0 -0.951 6.9-173.1-114.1 116.5 10.1 -11.3 -26.2 33 34 A N + 0 0 140 -2,-0.6 2,-0.2 2,-0.1 -1,-0.1 0.589 58.2 59.2 -91.1 -13.7 11.4 -12.7 -29.5 34 35 A H S S- 0 0 29 1,-0.0 2,-0.7 2,-0.0 208,-0.1 -0.624 93.1 -85.6-111.6 173.4 15.1 -11.8 -29.4 35 36 A D + 0 0 103 -2,-0.2 2,-0.3 2,-0.0 -2,-0.1 -0.688 66.5 137.6 -79.4 112.3 18.1 -12.5 -27.2 36 37 A V - 0 0 3 -2,-0.7 2,-0.6 -32,-0.1 -30,-0.2 -0.972 48.0-134.2-155.0 141.3 18.2 -9.9 -24.4 37 38 A Q E -a 6 0A 38 -32,-2.4 -30,-2.1 -2,-0.3 2,-0.3 -0.924 23.8-161.6 -97.7 115.2 18.9 -9.9 -20.6 38 39 A C E -ac 7 59A 0 20,-2.8 22,-1.8 -2,-0.6 2,-0.4 -0.777 6.6-167.9 -96.2 142.3 16.2 -7.9 -18.7 39 40 A V E -ac 8 60A 1 -32,-2.2 -30,-3.1 -2,-0.3 2,-0.4 -0.995 9.4-165.8-135.8 135.3 17.0 -6.7 -15.2 40 41 A V E -ac 9 61A 1 20,-2.3 22,-2.5 -2,-0.4 -30,-0.2 -0.993 1.4-168.0-123.7 123.5 14.7 -5.2 -12.4 41 42 A A E -a 10 0A 0 -32,-2.7 -30,-1.7 -2,-0.4 -29,-0.4 -0.847 13.3-178.3-112.8 94.7 16.2 -3.4 -9.3 42 43 A P - 0 0 1 0, 0.0 22,-0.3 0, 0.0 -30,-0.1 -0.392 40.3 -84.5 -81.0 164.7 13.5 -2.8 -6.6 43 44 A R > - 0 0 56 -29,-0.2 3,-2.0 -31,-0.2 4,-0.4 -0.355 50.5-103.7 -60.5 152.0 14.0 -1.0 -3.3 44 45 A F G > S+ 0 0 120 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.878 120.4 53.7 -48.5 -49.1 15.3 -3.4 -0.6 45 46 A V G 3 S+ 0 0 118 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.559 109.4 50.8 -70.1 -7.4 12.0 -3.8 1.2 46 47 A M G <> S+ 0 0 22 -3,-2.0 4,-2.2 2,-0.1 -1,-0.3 0.341 82.8 93.2-103.9 1.8 10.3 -4.8 -2.1 47 48 A I H <> S+ 0 0 7 -3,-1.8 4,-2.5 -4,-0.4 5,-0.2 0.905 83.1 51.6 -63.4 -42.1 12.8 -7.5 -3.1 48 49 A A H > S+ 0 0 48 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.950 112.1 43.8 -62.4 -49.3 10.8 -10.4 -1.5 49 50 A M H > S+ 0 0 29 -4,-0.2 4,-1.9 1,-0.2 5,-0.2 0.912 114.8 50.3 -63.1 -40.3 7.5 -9.5 -3.2 50 51 A T H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.915 109.9 51.5 -60.6 -45.6 9.3 -8.9 -6.6 51 52 A K H < S+ 0 0 76 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.937 113.1 44.9 -51.0 -53.4 11.1 -12.3 -6.2 52 53 A E H < S+ 0 0 151 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.816 121.5 36.6 -66.8 -32.3 7.8 -14.1 -5.6 53 54 A R H < S+ 0 0 112 -4,-1.9 2,-0.3 -5,-0.2 -2,-0.2 0.802 92.9 86.5 -97.2 -34.7 5.8 -12.4 -8.4 54 55 A L < + 0 0 25 -4,-2.9 -29,-0.1 -5,-0.2 7,-0.1 -0.568 41.6 156.3 -73.6 126.1 8.2 -12.0 -11.3 55 56 A S + 0 0 89 -2,-0.3 -1,-0.1 -31,-0.2 -4,-0.0 0.488 21.0 126.5-127.9 -11.9 8.3 -15.1 -13.5 56 57 A H > - 0 0 22 1,-0.1 3,-1.8 2,-0.1 -28,-0.1 -0.313 56.9-137.4 -60.1 128.8 9.5 -14.1 -17.0 57 58 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -29,-0.0 0.713 101.3 55.7 -61.8 -19.8 12.4 -16.3 -18.1 58 59 A K T 3 S+ 0 0 62 -21,-0.1 -20,-2.8 2,-0.0 2,-0.4 0.352 95.8 86.8 -95.5 10.3 14.3 -13.3 -19.6 59 60 A F E < -c 38 0A 19 -3,-1.8 2,-0.3 -22,-0.2 -20,-0.2 -0.863 49.3-179.5-114.7 138.2 14.2 -11.3 -16.3 60 61 A V E -c 39 0A 44 -22,-1.8 -20,-2.3 -2,-0.4 2,-0.4 -0.933 25.9-119.5-126.7 158.0 16.5 -11.2 -13.3 61 62 A I E -c 40 0A 29 -2,-0.3 20,-0.6 -22,-0.2 21,-0.6 -0.788 28.2-171.0 -95.9 139.5 16.4 -9.2 -10.0 62 63 A A E -d 82 0A 0 -22,-2.5 2,-0.3 -2,-0.4 21,-0.3 -0.905 19.9-125.2-124.0 154.8 19.2 -6.8 -8.9 63 64 A A E -d 83 0A 0 19,-2.0 21,-2.1 -2,-0.3 3,-0.1 -0.696 23.0-125.5 -91.3 156.5 20.0 -4.8 -5.7 64 65 A Q S S- 0 0 35 -22,-0.3 22,-0.5 -2,-0.3 2,-0.2 0.470 82.7 -15.8 -87.5 -5.0 20.5 -1.0 -5.9 65 66 A N - 0 0 31 20,-0.1 2,-0.3 21,-0.0 -1,-0.2 -0.769 56.1-159.8 173.0 150.1 24.0 -0.8 -4.3 66 67 A A - 0 0 9 -2,-0.2 2,-0.5 -3,-0.1 42,-0.1 -0.820 2.6-168.6-149.6 105.1 26.2 -3.2 -2.2 67 68 A G - 0 0 62 -2,-0.3 3,-0.2 1,-0.2 37,-0.0 -0.349 51.9 -86.0 -98.0 48.4 29.1 -2.0 -0.0 68 69 A N S >> S+ 0 0 84 -2,-0.5 4,-1.6 1,-0.2 3,-0.8 -0.152 82.9 5.2 93.5-168.6 30.8 -5.3 0.8 69 70 A A H 3> S+ 0 0 66 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.452 118.0 56.1 -19.3 -81.9 30.9 -8.3 3.2 70 71 A D H 3> S+ 0 0 147 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.792 120.0 20.0 21.0-109.7 27.9 -7.3 5.1 71 72 A G H <> S+ 0 0 27 -3,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.654 117.0 69.4 -71.4 -28.1 25.0 -7.0 2.7 72 80 A L H X S+ 0 0 3 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.965 103.3 44.2 -59.6 -41.8 26.9 -9.2 -0.1 73 81 A A H X S+ 0 0 67 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.912 114.4 50.1 -60.7 -43.0 26.4 -12.4 2.0 74 82 A S H X S+ 0 0 77 -4,-1.2 4,-1.7 -5,-0.3 -1,-0.2 0.901 111.8 45.8 -60.0 -48.9 22.8 -11.4 2.8 75 83 A L H X>S+ 0 0 16 -4,-2.4 5,-2.3 2,-0.2 4,-0.5 0.916 111.8 52.2 -64.8 -42.2 21.8 -10.8 -0.9 76 84 A K H ><5S+ 0 0 120 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.920 108.3 51.3 -59.8 -45.9 23.5 -14.0 -2.0 77 85 A D H 3<5S+ 0 0 143 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.872 108.8 52.7 -56.9 -38.7 21.6 -16.0 0.6 78 86 A F H 3<5S- 0 0 75 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.474 121.1-105.1 -81.8 -2.5 18.3 -14.5 -0.6 79 87 A G T <<5S+ 0 0 51 -3,-1.2 2,-0.5 -4,-0.5 -18,-0.2 0.604 72.1 140.1 91.7 12.9 18.9 -15.5 -4.3 80 88 A V < + 0 0 4 -5,-2.3 -1,-0.3 -6,-0.1 -18,-0.1 -0.833 19.3 171.1 -94.2 124.6 19.9 -12.0 -5.7 81 89 A N + 0 0 90 -20,-0.6 33,-2.4 -2,-0.5 2,-0.3 0.205 53.5 64.5-120.7 9.0 22.8 -12.3 -8.3 82 90 A W E -de 62 114A 18 -21,-0.6 -19,-2.0 31,-0.2 2,-0.3 -0.974 54.3-171.2-133.1 149.9 23.1 -8.8 -9.8 83 91 A I E -de 63 115A 0 31,-1.7 33,-2.5 -2,-0.3 2,-0.5 -0.972 12.8-149.9-136.4 147.2 24.0 -5.4 -8.4 84 92 A V E - e 0 116A 5 -21,-2.1 2,-0.7 -2,-0.3 33,-0.2 -0.987 11.2-159.0-119.7 119.1 23.8 -1.9 -9.8 85 93 A L E - e 0 117A 2 31,-2.8 33,-2.6 -2,-0.5 2,-2.0 -0.866 3.6-157.3-105.5 107.2 26.4 0.6 -8.5 86 94 A G > + 0 0 8 -2,-0.7 4,-1.8 -22,-0.5 5,-0.2 -0.397 34.7 149.3 -84.5 66.2 25.3 4.2 -9.1 87 95 A H H > + 0 0 2 -2,-2.0 4,-2.7 31,-0.4 5,-0.3 0.854 60.5 61.1 -72.7 -38.2 28.8 5.8 -9.0 88 96 A S H > S+ 0 0 0 30,-1.1 4,-2.0 -3,-0.3 -1,-0.2 0.921 112.6 40.7 -57.8 -41.4 28.3 8.8 -11.3 89 97 A E H > S+ 0 0 26 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.921 115.0 49.8 -66.2 -49.4 25.6 10.2 -9.0 90 98 A R H X>S+ 0 0 90 -4,-1.8 6,-1.7 1,-0.2 4,-1.7 0.853 113.5 47.5 -63.8 -35.3 27.4 9.3 -5.7 91 99 A R H X5S+ 0 0 56 -4,-2.7 4,-1.5 4,-0.3 -1,-0.2 0.957 115.4 44.3 -65.3 -52.7 30.6 11.0 -7.0 92 100 A A H <5S+ 0 0 38 -4,-2.0 -2,-0.2 -5,-0.3 -3,-0.2 0.907 123.2 33.7 -61.6 -44.4 28.8 14.1 -8.2 93 101 A Y H <5S+ 0 0 127 -4,-3.0 -3,-0.2 1,-0.1 -1,-0.2 0.879 135.9 13.4 -83.3 -40.6 26.6 14.6 -5.1 94 102 A Y H <5S- 0 0 197 -4,-1.7 -3,-0.2 -5,-0.3 -2,-0.2 0.461 98.5-106.7-120.2 -7.6 28.7 13.4 -2.2 95 103 A G << - 0 0 55 -4,-1.5 -4,-0.3 -5,-0.5 -3,-0.1 0.659 46.1-179.7 84.2 19.5 32.3 13.0 -3.4 96 104 A E - 0 0 32 -6,-1.7 -1,-0.2 -9,-0.1 2,-0.1 -0.289 28.8-121.3 -55.4 126.9 32.5 9.2 -3.5 97 105 A T > - 0 0 78 1,-0.1 4,-1.3 -7,-0.0 5,-0.2 -0.351 6.5-124.5 -72.0 153.7 36.0 8.3 -4.7 98 106 A N H > S+ 0 0 31 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.821 112.2 59.3 -62.1 -32.1 36.7 6.2 -7.8 99 107 A E H > S+ 0 0 109 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.890 99.3 57.0 -64.2 -38.7 38.7 3.8 -5.6 100 108 A I H > S+ 0 0 82 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.947 109.9 42.9 -56.7 -50.9 35.6 3.0 -3.4 101 109 A V H X S+ 0 0 2 -4,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.889 111.7 55.4 -67.5 -36.2 33.5 1.9 -6.4 102 110 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.915 108.9 47.4 -59.2 -44.7 36.5 -0.1 -7.8 103 111 A D H X S+ 0 0 79 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.887 111.6 51.1 -66.1 -38.8 36.8 -2.0 -4.5 104 112 A K H X S+ 0 0 24 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.902 108.8 50.3 -64.3 -45.1 33.1 -2.7 -4.5 105 113 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.965 113.2 46.7 -58.6 -51.4 33.1 -4.1 -8.1 106 114 A A H X S+ 0 0 27 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.895 113.0 48.3 -54.9 -44.1 36.0 -6.4 -7.2 107 115 A A H X S+ 0 0 22 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.916 112.9 47.9 -68.3 -41.2 34.4 -7.6 -3.9 108 116 A A H <>S+ 0 0 1 -4,-2.5 5,-2.4 2,-0.2 3,-0.5 0.933 111.5 49.7 -63.8 -45.5 31.0 -8.3 -5.6 109 117 A V H ><5S+ 0 0 8 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.895 108.0 54.3 -59.8 -39.6 32.7 -10.2 -8.5 110 118 A A H 3<5S+ 0 0 90 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.776 106.4 52.2 -66.5 -27.3 34.6 -12.3 -6.0 111 119 A S T 3<5S- 0 0 40 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.318 127.1-102.0 -86.9 4.6 31.3 -13.3 -4.3 112 120 A G T < 5S+ 0 0 39 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.514 72.2 143.1 92.2 6.5 30.0 -14.3 -7.7 113 121 A F < - 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0 0 1 34,-0.5 -1,-0.1 1,-0.1 34,-0.0 -0.483 38.9-111.5 -63.5 143.9 22.4 12.4 -24.8 171 179 A T > - 0 0 60 -2,-0.1 4,-2.5 1,-0.1 5,-0.3 -0.373 27.7-108.3 -66.5 157.9 22.2 12.5 -28.6 172 180 A P H > S+ 0 0 25 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.891 124.3 53.6 -54.0 -36.3 23.0 9.2 -30.5 173 181 A Q H > S+ 0 0 126 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.899 108.4 47.0 -64.3 -40.8 26.2 11.0 -31.5 174 182 A Q H > S+ 0 0 58 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.928 114.5 46.6 -68.2 -44.4 27.2 11.9 -27.9 175 183 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.937 111.8 51.0 -62.9 -47.4 26.5 8.4 -26.6 176 184 A Q H X S+ 0 0 30 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.894 107.7 53.1 -57.8 -43.1 28.4 6.8 -29.4 177 185 A E H X S+ 0 0 122 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.931 114.3 41.3 -57.5 -47.0 31.5 9.0 -28.8 178 186 A T H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.922 114.8 49.5 -68.3 -45.7 31.7 8.1 -25.1 179 187 A H H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.891 111.2 51.3 -59.9 -42.1 31.0 4.4 -25.6 180 188 A A H X S+ 0 0 25 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.893 109.3 50.1 -63.9 -39.7 33.6 4.2 -28.4 181 189 A L H X S+ 0 0 57 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.902 111.1 48.3 -64.6 -45.9 36.3 5.9 -26.1 182 190 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.923 113.6 47.1 -58.0 -45.1 35.6 3.4 -23.2 183 191 A R H X S+ 0 0 29 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.892 109.4 53.7 -70.3 -40.7 35.8 0.4 -25.6 184 192 A S H X S+ 0 0 73 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.895 108.9 49.4 -55.3 -46.1 39.0 1.7 -27.2 185 193 A W H X S+ 0 0 48 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.937 111.3 49.0 -60.4 -49.2 40.7 2.0 -23.8 186 194 A V H X>S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-2.1 0.905 110.5 51.6 -59.0 -40.5 39.6 -1.5 -22.8 187 195 A S H <5S+ 0 0 50 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.919 116.6 38.8 -63.0 -46.9 40.9 -3.0 -26.1 188 196 A S H <5S+ 0 0 98 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.942 126.6 33.3 -66.8 -51.2 44.4 -1.4 -25.7 189 197 A K H <5S+ 0 0 132 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.779 134.5 16.1 -82.8 -31.6 44.8 -1.9 -22.0 190 198 A I T <5S- 0 0 44 -4,-2.4 -3,-0.2 -5,-0.3 2,-0.2 0.786 117.3 -64.0-113.8 -50.1 43.1 -5.2 -21.2 191 199 A G >< - 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0 0 57 -2,-0.2 4,-1.4 20,-0.1 3,-0.1 -0.881 49.2 -91.9-142.4 177.9 12.3 6.6 -23.0 208 216 A G T 4 S+ 0 0 20 -2,-0.3 4,-0.3 1,-0.2 -2,-0.0 0.834 122.0 47.4 -61.8 -32.7 10.1 4.5 -25.4 209 217 A K T 4 S+ 0 0 195 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.847 116.8 37.8 -77.7 -37.1 10.4 7.1 -28.2 210 218 A N T > S+ 0 0 30 1,-0.2 4,-0.9 2,-0.1 -2,-0.2 0.548 93.9 83.7 -95.1 -8.7 14.2 7.7 -28.1 211 219 A A H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 3,-0.2 0.853 83.3 57.0 -68.1 -37.7 15.6 4.2 -27.5 212 220 A R H > S+ 0 0 101 -4,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.931 108.0 45.1 -62.7 -47.3 15.6 2.8 -31.0 213 221 A T H 4 S+ 0 0 71 -4,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.671 113.1 52.1 -75.6 -19.8 17.8 5.5 -32.6 214 222 A L H >< S+ 0 0 3 -4,-0.9 3,-1.1 -3,-0.2 -1,-0.2 0.875 107.2 53.5 -71.8 -45.2 20.2 5.3 -29.6 215 223 A Y H 3< S+ 0 0 10 -4,-2.3 5,-0.2 1,-0.2 -2,-0.2 0.784 94.7 69.5 -62.6 -29.9 20.5 1.4 -30.1 216 224 A Q T 3< S+ 0 0 123 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.1 0.794 76.5 104.4 -61.1 -28.5 21.4 1.7 -33.8 217 225 A Q S X S- 0 0 50 -3,-1.1 3,-1.4 -4,-0.3 -44,-0.0 -0.262 82.4-116.6 -60.6 144.5 24.8 3.2 -32.9 218 226 A R T 3 S+ 0 0 201 1,-0.2 -1,-0.1 3,-0.0 -3,-0.0 0.754 107.2 35.1 -45.7 -45.0 27.9 0.8 -33.3 219 227 A D T 3 S+ 0 0 25 -217,-0.1 2,-0.5 -20,-0.0 -1,-0.2 0.149 87.8 106.7-110.8 17.8 28.9 0.7 -29.6 220 228 A V < + 0 0 0 -3,-1.4 -19,-0.2 -5,-0.2 3,-0.1 -0.876 36.4 175.6 -99.9 125.3 25.6 0.9 -27.7 221 229 A N - 0 0 1 -21,-2.6 -215,-1.5 -2,-0.5 2,-0.3 0.145 56.5 -58.4-117.8 17.2 24.6 -2.5 -26.1 222 230 A G E -b 6 0A 0 -22,-0.3 -20,-2.5 -217,-0.2 2,-0.3 -0.916 60.8 -70.3 136.2-162.7 21.4 -1.5 -24.2 223 231 A F E -bh 7 202A 0 -217,-1.8 -215,-2.6 -2,-0.3 2,-0.5 -0.937 4.5-150.8-140.5 146.9 20.0 0.7 -21.5 224 232 A L E -bh 8 203A 5 -22,-1.9 -20,-0.7 -2,-0.3 2,-0.4 -0.996 33.7-168.6-113.2 125.3 19.7 1.7 -17.8 225 233 A V E +b 9 0A 2 -217,-2.8 -215,-3.0 -2,-0.5 -18,-0.1 -0.965 20.6 166.3-127.4 126.4 16.3 3.3 -17.2 226 234 A G S > S+ 0 0 32 -2,-0.4 3,-1.8 -217,-0.2 4,-0.3 0.733 76.6 18.8 -96.9 -93.0 15.0 5.2 -14.2 227 235 A G G > S+ 0 0 54 1,-0.3 3,-1.3 2,-0.2 -20,-0.1 0.830 125.5 50.5 -52.8 -45.5 11.7 7.2 -14.6 228 236 A A G > S+ 0 0 10 -22,-0.4 3,-1.0 1,-0.2 6,-0.3 0.584 96.3 72.0 -73.4 -9.7 10.4 5.4 -17.7 229 237 A S G < S+ 0 0 0 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.552 87.7 63.3 -81.5 -8.6 11.0 2.0 -16.1 230 238 A L G < S+ 0 0 43 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.187 100.8 69.4 -93.3 13.0 8.0 2.6 -13.8 231 239 A K S X S- 0 0 103 -3,-1.0 3,-2.2 -208,-0.0 4,-0.2 -0.892 93.4-107.6-133.2 155.3 5.7 2.8 -16.9 232 240 A P T > S+ 0 0 89 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.770 108.9 76.6 -53.6 -28.4 4.4 0.4 -19.6 233 241 A E T >> S+ 0 0 57 1,-0.3 4,-1.4 2,-0.2 3,-0.6 0.630 70.1 85.1 -61.2 -13.1 6.7 2.0 -22.2 234 242 A F H <> S+ 0 0 0 -3,-2.2 4,-2.0 -6,-0.3 3,-0.3 0.887 83.7 60.0 -52.7 -33.9 9.6 -0.0 -20.6 235 243 A V H <> S+ 0 0 18 -3,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.878 101.5 52.5 -64.4 -36.3 8.4 -2.9 -22.9 236 244 A D H <> S+ 0 0 91 -3,-0.6 4,-1.1 -4,-0.4 -1,-0.2 0.813 106.0 53.6 -64.6 -33.2 9.1 -0.6 -25.9 237 245 A I H < S+ 0 0 0 -4,-1.4 4,-0.4 -3,-0.3 -2,-0.2 0.885 107.8 50.8 -70.5 -40.7 12.7 0.0 -24.6 238 246 A I H >< S+ 0 0 3 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.943 110.7 48.8 -56.6 -47.8 13.1 -3.8 -24.5 239 247 A K H >< S+ 0 0 74 -4,-2.2 3,-0.6 1,-0.3 -1,-0.2 0.742 98.9 68.5 -68.1 -22.3 11.9 -4.0 -28.1 240 248 A A T 3< S+ 0 0 6 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.642 83.4 78.3 -69.4 -14.6 14.3 -1.2 -29.1 241 249 A T T < 0 0 1 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.1 0.001 360.0 360.0 -87.3 28.9 17.3 -3.6 -28.5 242 250 A Q < 0 0 139 -3,-0.6 -206,-0.0 -208,-0.1 -27,-0.0 -0.870 360.0 360.0-110.0 360.0 17.2 -5.7 -31.6