==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-AUG-04 1X9G . COMPND 2 MOLECULE: PUTATIVE MAR1; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA DONOVANI; . AUTHOR J.CARUTHERS,E.A.MERRITT,STRUCTURAL GENOMICS OF PATHOGENIC PR . 192 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9938.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 17 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 1 1 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 1 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 194 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 3.1 -10.3 -37.6 6.9 2 2 A S - 0 0 70 1,-0.1 3,-0.0 153,-0.0 0, 0.0 -0.029 360.0-156.8 -45.0 148.5 -13.1 -39.8 8.3 3 3 A R + 0 0 175 2,-0.1 2,-0.2 152,-0.0 -1,-0.1 0.759 54.0 11.2-119.2 -26.0 -12.0 -43.4 8.5 4 4 A L S S- 0 0 91 1,-0.1 160,-0.0 163,-0.1 -1,-0.0 -0.693 97.0 -53.9-131.7-169.0 -14.8 -46.0 8.5 5 5 A M - 0 0 1 -2,-0.2 2,-0.1 -3,-0.0 3,-0.1 -0.478 59.9-129.4 -59.0 134.4 -18.6 -46.2 7.9 6 6 A P - 0 0 18 0, 0.0 -1,-0.0 0, 0.0 161,-0.0 -0.477 43.9 -66.3 -79.3 164.4 -20.4 -43.6 10.1 7 7 A H > - 0 0 48 1,-0.1 3,-2.5 -2,-0.1 162,-0.2 -0.186 55.2-110.2 -44.0 137.2 -23.4 -44.6 12.3 8 8 A Y T 3 S+ 0 0 24 160,-2.9 -1,-0.1 1,-0.3 5,-0.1 0.686 115.2 58.9 -49.4 -24.3 -26.3 -45.6 10.0 9 9 A S T 3 S+ 0 0 71 159,-0.3 2,-0.9 3,-0.1 -1,-0.3 0.462 82.2 90.3 -90.2 -5.8 -28.3 -42.5 11.0 10 10 A K S < S- 0 0 130 -3,-2.5 2,-0.1 41,-0.0 -1,-0.1 -0.836 105.6 -43.2 -91.3 101.5 -25.7 -40.0 9.7 11 11 A G S S- 0 0 34 -2,-0.9 2,-0.3 89,-0.1 88,-0.1 -0.425 87.6 -55.2 81.9-153.1 -26.6 -39.3 6.1 12 12 A K - 0 0 64 -2,-0.1 88,-1.9 86,-0.1 89,-1.8 -0.968 38.4-160.8-131.4 150.2 -27.6 -41.9 3.5 13 13 A T E -ab 52 101A 7 38,-1.8 40,-1.4 -2,-0.3 2,-0.5 -0.998 8.4-149.1-130.3 127.3 -26.0 -45.1 2.1 14 14 A A E -ab 53 102A 2 87,-2.6 89,-2.8 -2,-0.4 2,-0.6 -0.871 6.8-149.4 -93.9 127.1 -26.8 -47.0 -1.1 15 15 A F E -ab 54 103A 0 38,-2.7 40,-2.8 -2,-0.5 2,-0.6 -0.867 18.2-161.3 -82.9 123.9 -26.5 -50.7 -1.2 16 16 A L E -ab 55 104A 7 87,-2.7 89,-2.1 -2,-0.6 2,-0.8 -0.942 7.6-163.6-119.9 111.2 -25.5 -51.5 -4.8 17 17 A C E -ab 56 105A 1 38,-4.2 40,-2.0 -2,-0.6 2,-0.6 -0.819 18.2-152.8-102.0 103.8 -26.0 -55.0 -5.9 18 18 A V E -ab 57 106A 0 87,-2.7 89,-1.9 -2,-0.8 40,-0.1 -0.721 47.7 -44.4-102.9 114.6 -24.0 -55.4 -9.1 19 19 A D + 0 0 2 38,-1.3 2,-2.4 -2,-0.6 -1,-0.2 0.622 63.2 163.6 55.0 30.4 -24.7 -57.9 -12.0 20 20 A L + 0 0 0 37,-0.3 48,-0.6 -3,-0.1 -1,-0.2 -0.369 30.3 150.2 -74.7 72.4 -25.5 -61.1 -9.9 21 21 A Q B >> -G 67 0B 0 -2,-2.4 4,-1.1 46,-0.2 3,-0.9 -0.525 59.4 -99.4-114.3 174.0 -27.2 -62.8 -13.0 22 22 A E T 34 S+ 0 0 107 44,-1.2 4,-0.4 1,-0.3 3,-0.3 0.819 111.7 61.0 -67.6 -39.3 -27.7 -66.3 -14.4 23 23 A A T 34 S+ 0 0 33 1,-0.2 3,-0.3 41,-0.2 -1,-0.3 0.848 112.6 41.8 -52.5 -34.5 -24.9 -66.5 -17.0 24 24 A F T X> S+ 0 0 43 -3,-0.9 3,-1.6 1,-0.2 4,-1.1 0.714 83.7 93.9 -89.1 -29.9 -22.4 -66.0 -14.1 25 25 A S T 3< S+ 0 0 25 -4,-1.1 -1,-0.2 -3,-0.3 6,-0.2 0.699 99.5 31.8 -39.0 -35.6 -23.8 -68.2 -11.4 26 26 A K T 34 S+ 0 0 188 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.643 109.4 67.3 -97.3 -21.0 -21.6 -71.1 -12.4 27 27 A R T <4 S+ 0 0 146 -3,-1.6 2,-0.5 -4,-0.2 -2,-0.2 0.583 93.7 62.3 -83.3 -12.4 -18.6 -69.2 -13.7 28 28 A I S >< S- 0 0 4 -4,-1.1 3,-1.7 1,-0.2 4,-0.2 -0.967 70.5-146.3-126.7 122.6 -17.5 -67.8 -10.4 29 29 A E T > S+ 0 0 166 -2,-0.5 3,-0.5 107,-0.4 -1,-0.2 0.924 100.0 37.7 -54.1 -53.4 -16.4 -70.0 -7.5 30 30 A N T 3> S+ 0 0 39 106,-0.2 4,-2.0 1,-0.2 3,-0.3 0.104 76.5 122.9 -91.3 29.4 -17.7 -67.8 -4.7 31 31 A F H <> S+ 0 0 12 -3,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.832 74.3 54.8 -54.6 -33.8 -20.9 -66.7 -6.5 32 32 A A H <> S+ 0 0 42 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.888 103.3 52.2 -74.1 -38.8 -22.9 -68.1 -3.7 33 33 A N H > S+ 0 0 7 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.875 107.3 54.6 -61.8 -35.9 -21.1 -66.0 -1.1 34 34 A C H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.891 108.8 48.3 -58.9 -41.1 -21.9 -63.0 -3.2 35 35 A V H X S+ 0 0 7 -4,-1.5 4,-2.8 1,-0.2 -2,-0.2 0.909 109.3 53.4 -64.0 -43.2 -25.6 -64.0 -3.1 36 36 A F H X S+ 0 0 21 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.859 110.6 45.4 -59.2 -40.5 -25.3 -64.4 0.7 37 37 A V H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.848 109.6 55.7 -74.9 -39.6 -24.0 -60.9 1.1 38 38 A A H X S+ 0 0 0 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.937 112.3 42.9 -56.4 -48.9 -26.7 -59.6 -1.2 39 39 A N H >X S+ 0 0 20 -4,-2.8 4,-2.5 2,-0.2 3,-1.0 0.959 112.3 54.5 -59.8 -52.0 -29.3 -61.1 1.0 40 40 A R H 3X S+ 0 0 11 -4,-2.9 4,-1.8 1,-0.3 -2,-0.2 0.872 112.8 41.0 -48.1 -51.3 -27.4 -59.9 4.2 41 41 A L H 3X S+ 0 0 1 -4,-2.7 4,-1.4 2,-0.2 -1,-0.3 0.625 111.9 59.4 -70.9 -17.4 -27.4 -56.3 3.1 42 42 A A H < S+ 0 0 5 -4,-1.5 3,-1.1 1,-0.1 4,-0.4 -0.409 74.2 148.8-131.2 63.3 -32.9 -49.2 8.4 49 49 A P T 3 + 0 0 61 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.655 64.9 63.5 -81.8 -20.0 -34.8 -47.9 5.3 50 50 A E T 3 S+ 0 0 131 1,-0.2 3,-0.1 -5,-0.0 -2,-0.0 0.529 115.7 37.8 -77.8 -3.5 -35.2 -44.2 5.9 51 51 A N S < S+ 0 0 29 -3,-1.1 -38,-1.8 -6,-0.2 2,-0.4 0.436 114.6 51.6-121.7 -8.3 -31.4 -44.1 5.7 52 52 A T E -a 13 0A 6 -4,-0.4 2,-0.3 -3,-0.2 -38,-0.2 -0.996 55.5-160.1-142.2 130.0 -30.5 -46.6 3.0 53 53 A K E -a 14 0A 35 -40,-1.4 -38,-2.7 -2,-0.4 2,-0.4 -0.709 15.8-143.2 -94.7 159.8 -31.6 -47.3 -0.6 54 54 A Y E -a 15 0A 0 22,-0.3 24,-2.8 -2,-0.3 2,-0.4 -0.992 17.4-171.8-130.0 130.4 -31.0 -50.7 -2.3 55 55 A I E -ac 16 78A 1 -40,-2.8 -38,-4.2 -2,-0.4 2,-0.5 -0.964 10.1-170.0-133.2 130.8 -30.1 -50.9 -6.0 56 56 A V E -ac 17 79A 0 22,-1.3 24,-3.0 -2,-0.4 2,-0.4 -0.982 6.5-167.1-120.5 125.2 -29.8 -53.8 -8.4 57 57 A T E -ac 18 80A 0 -40,-2.0 -38,-1.3 -2,-0.5 2,-0.5 -0.944 2.8-162.6-106.3 139.8 -28.3 -53.4 -11.8 58 58 A E E - c 0 81A 7 22,-2.4 24,-2.0 -2,-0.4 2,-0.4 -0.997 14.1-142.1-117.0 133.1 -28.7 -56.1 -14.4 59 59 A H E S- c 0 82A 36 -2,-0.5 24,-0.2 1,-0.2 26,-0.0 -0.811 74.5 -25.0-100.1 130.4 -26.3 -56.0 -17.3 60 60 A Y S S- 0 0 147 22,-2.8 -1,-0.2 -2,-0.4 23,-0.1 0.859 82.3-174.2 25.7 65.8 -27.6 -56.9 -20.8 61 61 A P + 0 0 17 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.898 68.8 45.3 -54.7 -60.0 -30.3 -59.0 -19.0 62 62 A K S S+ 0 0 196 1,-0.2 2,-2.1 2,-0.2 3,-0.4 0.892 101.9 68.1 -55.6 -47.1 -32.2 -60.8 -21.9 63 63 A G S S- 0 0 26 1,-0.3 -1,-0.2 2,-0.1 0, 0.0 -0.516 134.8 -29.8 -74.8 78.5 -28.9 -61.8 -23.7 64 64 A L S S+ 0 0 141 -2,-2.1 -1,-0.3 -41,-0.0 -2,-0.2 0.989 116.7 47.4 65.2 78.7 -27.9 -64.3 -21.0 65 65 A G - 0 0 10 -3,-0.4 2,-0.3 -43,-0.1 -2,-0.1 0.514 32.3-177.1 133.2 117.8 -29.2 -63.3 -17.5 66 66 A R - 0 0 201 -4,-0.1 -44,-1.2 -8,-0.0 2,-1.1 -0.795 62.9 -76.5-103.6 160.9 -31.8 -62.1 -15.1 67 67 A I B -G 21 0B 16 -2,-0.3 -46,-0.2 -46,-0.2 4,-0.2 -0.369 62.4-101.1 -68.0 92.3 -31.0 -61.5 -11.4 68 68 A V > - 0 0 14 -2,-1.1 3,-1.7 -48,-0.6 -1,-0.1 0.384 26.2-130.8 -9.6 121.1 -30.7 -64.9 -9.8 69 69 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.817 97.8 77.8 -56.1 -40.3 -33.9 -65.8 -7.8 70 70 A E T 3 S+ 0 0 128 1,-0.1 2,-0.8 2,-0.1 -2,-0.1 0.648 79.9 84.1 -54.2 -10.7 -32.1 -66.9 -4.6 71 71 A I S < S- 0 0 4 -3,-1.7 2,-1.3 -4,-0.2 -1,-0.1 -0.835 72.0-157.0 -90.1 110.6 -31.7 -63.1 -4.0 72 72 A T - 0 0 96 -2,-0.8 -2,-0.1 0, 0.0 -1,-0.0 -0.695 17.0-150.0 -87.8 87.4 -34.9 -61.9 -2.3 73 73 A L - 0 0 50 -2,-1.3 2,-0.1 1,-0.1 -34,-0.0 -0.098 17.3-107.0 -46.6 145.4 -34.9 -58.2 -3.1 74 74 A P > - 0 0 4 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.461 27.1-118.6 -71.3 153.5 -36.5 -55.7 -0.8 75 75 A K T 3 S+ 0 0 211 1,-0.3 -2,-0.1 -2,-0.1 0, 0.0 0.832 115.6 59.0 -63.1 -30.0 -39.8 -54.2 -2.0 76 76 A T T 3 S+ 0 0 83 2,-0.1 -22,-0.3 -21,-0.0 -1,-0.3 0.518 80.4 134.0 -74.1 -4.9 -38.1 -50.8 -2.0 77 77 A A < - 0 0 25 -3,-1.6 2,-1.1 1,-0.1 -22,-0.2 -0.091 52.2-142.1 -56.0 136.9 -35.4 -52.0 -4.5 78 78 A H E -c 55 0A 73 -24,-2.8 -22,-1.3 17,-0.0 2,-0.4 -0.762 23.7-166.7-100.8 91.5 -34.4 -49.8 -7.5 79 79 A L E +c 56 0A 83 -2,-1.1 2,-0.3 -24,-0.2 -22,-0.2 -0.641 12.9 171.3 -86.0 126.3 -33.9 -52.3 -10.2 80 80 A I E -c 57 0A 8 -24,-3.0 -22,-2.4 -2,-0.4 2,-0.3 -0.905 19.7-146.1-139.2 161.8 -32.1 -51.0 -13.3 81 81 A E E +c 58 0A 120 -2,-0.3 2,-0.3 -24,-0.2 -22,-0.2 -0.931 23.8 152.8-133.1 148.0 -30.6 -52.4 -16.5 82 82 A K E -c 59 0A 15 -24,-2.0 -22,-2.8 -2,-0.3 5,-0.1 -0.980 45.2-141.5-163.4 176.3 -27.7 -51.4 -18.7 83 83 A T S S+ 0 0 100 -2,-0.3 -1,-0.1 -24,-0.2 -24,-0.1 0.543 72.3 105.5-120.1 -22.8 -24.9 -52.1 -21.1 84 84 A R S S- 0 0 141 1,-0.1 5,-0.1 2,-0.1 -2,-0.0 -0.310 72.4-135.5 -50.1 133.8 -22.3 -49.7 -19.6 85 85 A F S S+ 0 0 118 3,-0.1 2,-0.3 -26,-0.0 31,-0.2 0.943 90.0 68.3 -66.7 -42.9 -19.7 -51.8 -17.7 86 86 A S S S- 0 0 0 29,-0.2 27,-0.1 2,-0.1 -3,-0.1 -0.585 83.5-134.9 -73.5 135.0 -19.9 -49.3 -14.8 87 87 A C S S+ 0 0 0 25,-0.4 2,-2.0 -2,-0.3 5,-0.3 0.615 80.2 103.2 -54.7 -20.8 -23.1 -49.1 -12.7 88 88 A V + 0 0 12 4,-0.1 -2,-0.1 3,-0.1 -1,-0.1 -0.495 48.2 144.4 -76.0 83.5 -23.0 -45.2 -12.9 89 89 A V >> - 0 0 14 -2,-2.0 4,-2.1 -5,-0.1 3,-0.7 -0.774 67.7 -91.0-110.8 160.2 -25.7 -44.7 -15.6 90 90 A P H 3> S+ 0 0 97 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.813 124.2 54.1 -37.6 -48.8 -28.2 -41.7 -15.7 91 91 A Q H 3> S+ 0 0 114 1,-0.2 4,-1.2 2,-0.2 -3,-0.1 0.929 112.3 41.4 -56.6 -48.4 -30.8 -43.6 -13.6 92 92 A V H <4 S+ 0 0 4 -3,-0.7 -1,-0.2 -5,-0.3 4,-0.1 0.817 106.4 64.6 -74.3 -30.5 -28.4 -44.4 -10.7 93 93 A E H >< S+ 0 0 80 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.948 107.0 40.0 -55.9 -54.1 -26.8 -41.0 -10.7 94 94 A E H >< S+ 0 0 122 -4,-1.5 3,-1.6 1,-0.3 4,-0.3 0.845 109.3 61.9 -65.5 -31.1 -29.9 -39.1 -9.7 95 95 A L T 3< S+ 0 0 36 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.457 108.6 44.6 -73.8 1.5 -30.7 -41.9 -7.3 96 96 A L T X S+ 0 0 6 -3,-1.6 3,-1.4 -4,-0.1 -1,-0.3 0.174 77.0 110.0-124.0 6.8 -27.4 -40.9 -5.6 97 97 A E T < S+ 0 0 158 -3,-1.6 -2,-0.1 1,-0.3 -3,-0.1 0.804 95.1 25.7 -56.5 -28.3 -28.0 -37.1 -5.7 98 98 A D T 3 S+ 0 0 81 -4,-0.3 2,-0.4 -3,-0.0 -1,-0.3 0.036 98.6 109.4-122.3 23.4 -28.4 -37.2 -1.9 99 99 A V < - 0 0 3 -3,-1.4 -86,-0.2 1,-0.1 3,-0.1 -0.860 39.8-175.3-107.9 134.6 -26.4 -40.3 -0.9 100 100 A D + 0 0 85 -88,-1.9 26,-2.5 -2,-0.4 2,-0.4 0.772 68.0 36.9 -94.8 -33.6 -23.1 -40.0 0.9 101 101 A N E -bd 13 126A 4 -89,-1.8 -87,-2.6 24,-0.2 2,-0.5 -0.959 58.9-160.5-128.9 139.2 -21.9 -43.7 1.0 102 102 A A E -bd 14 127A 2 24,-2.9 26,-2.7 -2,-0.4 2,-0.6 -0.988 4.4-161.2-122.6 128.7 -22.0 -46.6 -1.3 103 103 A V E -bd 15 128A 0 -89,-2.8 -87,-2.7 -2,-0.5 2,-0.4 -0.953 22.1-164.0-103.9 112.9 -21.6 -50.2 -0.3 104 104 A V E +b 16 0A 0 24,-2.0 2,-0.3 -2,-0.6 -87,-0.2 -0.850 16.9 159.4-112.8 128.5 -20.7 -52.0 -3.5 105 105 A F E +b 17 0A 0 -89,-2.1 -87,-2.7 -2,-0.4 2,-0.3 -0.968 25.7 56.4-148.5 159.9 -20.9 -55.7 -3.9 106 106 A G E +be 18 134A 0 27,-3.4 29,-1.1 -2,-0.3 2,-0.3 -0.899 68.4 5.5 122.6-149.5 -21.2 -58.3 -6.7 107 107 A I E S+ e 0 135A 1 -89,-1.9 29,-0.1 -2,-0.3 -2,-0.1 -0.900 94.1 23.7-138.9 144.1 -19.4 -59.4 -9.8 108 108 A E > > - 0 0 23 27,-0.6 3,-2.3 -2,-0.3 5,-1.7 0.554 50.9-166.6-104.9 141.6 -17.0 -58.9 -11.5 109 109 A G T 3 >S+ 0 0 0 26,-1.9 5,-0.6 1,-0.3 27,-0.1 0.770 92.8 36.8 -44.8 -42.1 -14.2 -57.4 -9.3 110 110 A H T 3 5S+ 0 0 56 3,-0.1 -1,-0.3 25,-0.1 26,-0.1 0.384 126.2 32.9 -96.1 1.6 -12.0 -56.3 -12.2 111 111 A A T <>5S+ 0 0 26 -3,-2.3 4,-2.5 3,-0.1 5,-0.3 0.466 128.1 6.1-125.5-101.2 -14.8 -55.3 -14.6 112 112 A C H >5S+ 0 0 13 2,-0.2 4,-2.8 1,-0.2 -25,-0.4 0.902 132.7 49.3 -57.6 -44.5 -18.1 -53.8 -13.7 113 113 A I H ><>S+ 0 0 0 -4,-2.6 5,-1.9 2,-0.2 3,-0.6 0.910 109.2 52.2 -48.0 -45.8 -18.4 -43.3 -7.5 121 121 A L H ><5S+ 0 0 36 -4,-2.5 3,-2.0 1,-0.3 -2,-0.2 0.931 106.2 53.0 -63.3 -44.8 -15.0 -41.9 -6.4 122 122 A D H 3<5S+ 0 0 135 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2,-0.2 -1,-0.2 0.914 118.5 44.4 -65.8 -43.8 -8.0 -60.7 -12.5 142 142 A F H X S+ 0 0 31 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.985 111.6 50.0 -63.7 -59.0 -9.7 -60.5 -9.1 143 143 A K H X S+ 0 0 133 -4,-3.4 4,-1.8 1,-0.2 -1,-0.2 0.802 113.3 47.5 -53.9 -38.8 -6.6 -60.3 -6.9 144 144 A A H X S+ 0 0 60 -4,-1.5 4,-2.5 -5,-0.3 -1,-0.2 0.917 111.2 48.4 -69.9 -46.4 -5.2 -57.5 -9.1 145 145 A A H X S+ 0 0 5 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.936 110.6 54.4 -61.7 -43.0 -8.4 -55.4 -9.2 146 146 A I H X S+ 0 0 11 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.914 109.8 45.6 -55.3 -49.6 -8.6 -55.8 -5.3 147 147 A K H X S+ 0 0 147 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.901 110.8 53.2 -60.5 -46.5 -5.0 -54.5 -4.8 148 148 A L H >< S+ 0 0 82 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.976 111.6 45.7 -51.1 -55.9 -5.5 -51.6 -7.2 149 149 A M H >< S+ 0 0 1 -4,-2.6 3,-2.0 1,-0.3 -1,-0.2 0.837 103.2 63.2 -61.1 -36.1 -8.7 -50.5 -5.3 150 150 A S H 3< S+ 0 0 80 -4,-2.0 3,-0.4 1,-0.3 -1,-0.3 0.646 99.9 56.5 -56.1 -22.5 -6.9 -50.9 -1.8 151 151 A S T << S+ 0 0 82 -3,-1.6 -1,-0.3 -4,-0.8 -2,-0.2 0.328 86.9 82.6 -92.0 6.7 -4.6 -48.1 -3.0 152 152 A W S < S+ 0 0 66 -3,-2.0 3,-0.4 2,-0.1 4,-0.3 -0.031 77.8 164.8 -99.6 24.5 -7.6 -45.8 -3.6 153 153 A G + 0 0 48 -3,-0.4 4,-0.1 1,-0.2 -3,-0.0 -0.299 36.4 42.8 -73.9 168.4 -8.0 -44.6 0.1 154 154 A P S S+ 0 0 83 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.999 126.4 35.2 -82.7 -8.3 -9.2 -42.6 2.0 155 155 A N S S+ 0 0 78 -3,-0.4 -28,-3.4 -29,-0.1 2,-0.4 0.487 113.3 62.6 -93.3 5.6 -12.5 -42.6 0.2 156 156 A C E +f 127 0A 9 -4,-0.3 2,-0.4 -30,-0.2 -28,-0.2 -0.987 61.8 178.2-125.5 132.7 -12.4 -46.4 -0.7 157 157 A E E -f 128 0A 31 -30,-2.3 -28,-2.5 -2,-0.4 2,-0.6 -0.970 15.7-159.7-140.7 127.7 -12.4 -49.2 1.9 158 158 A I E +f 129 0A 38 -2,-0.4 2,-0.1 -30,-0.2 -30,-0.0 -0.897 38.4 124.5-105.0 117.8 -12.4 -52.9 1.5 159 159 A T E -f 130 0A 38 -30,-2.3 -28,-2.2 -2,-0.6 -27,-0.3 -0.202 56.0 -87.5-133.2-125.5 -13.5 -54.9 4.5 160 160 A T > - 0 0 53 -30,-0.3 4,-2.5 -29,-0.2 5,-0.1 -0.925 34.3 -97.1-148.8 169.3 -16.2 -57.5 4.8 161 161 A S H > S+ 0 0 0 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.819 121.6 50.0 -62.7 -35.1 -20.0 -57.6 5.5 162 162 A E H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.967 112.3 48.2 -70.3 -44.4 -19.6 -58.4 9.2 163 163 A S H > S+ 0 0 41 1,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.922 113.7 48.8 -54.4 -47.4 -17.1 -55.5 9.6 164 164 A I H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 3,-0.5 0.878 107.8 51.2 -64.0 -43.1 -19.5 -53.3 7.7 165 165 A L H X S+ 0 0 1 -4,-2.3 4,-1.1 1,-0.2 3,-0.4 0.957 113.3 47.6 -58.3 -47.4 -22.7 -54.2 9.7 166 166 A L H < S+ 0 0 80 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.622 106.9 57.0 -61.3 -22.9 -20.8 -53.5 13.0 167 167 A Q H < S+ 0 0 13 -4,-0.7 3,-0.3 -3,-0.5 -1,-0.2 0.817 106.4 48.7 -84.6 -32.9 -19.5 -50.2 11.7 168 168 A M H < S+ 0 0 6 -4,-1.5 -160,-2.9 -3,-0.4 2,-0.6 0.737 112.3 48.3 -76.6 -26.2 -22.9 -48.8 11.0 169 169 A T S < S- 0 0 4 -4,-1.1 2,-0.5 -162,-0.2 -1,-0.2 -0.645 75.5-171.0-107.7 73.9 -24.3 -49.8 14.5 170 170 A K + 0 0 114 -2,-0.6 2,-0.3 -3,-0.3 -1,-0.1 0.469 61.9 43.3 -61.2 5.1 -21.6 -48.4 16.6 171 171 A D > - 0 0 102 -2,-0.5 3,-1.2 1,-0.0 6,-0.1 -0.996 69.0-134.0-149.6 138.6 -22.8 -50.0 19.9 172 172 A A T 3 S+ 0 0 57 -2,-0.3 6,-0.1 1,-0.3 -2,-0.1 0.541 109.5 59.1 -74.5 -5.1 -24.2 -53.3 21.1 173 173 A M T 3 S+ 0 0 168 4,-0.1 -1,-0.3 3,-0.0 -3,-0.1 0.016 78.1 132.8-105.2 23.9 -27.0 -51.3 23.0 174 174 A D X - 0 0 24 -3,-1.2 3,-2.1 -5,-0.2 4,-0.4 -0.547 68.9-121.6 -77.6 141.9 -28.2 -49.8 19.7 175 175 A P T 3 S+ 0 0 121 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.802 115.1 43.5 -57.2 -26.4 -32.0 -49.8 19.2 176 176 A N T 3> S+ 0 0 34 1,-0.1 4,-2.2 2,-0.1 3,-0.3 0.525 87.1 96.1 -97.3 0.5 -31.3 -51.8 16.1 177 177 A F H <> S+ 0 0 48 -3,-2.1 4,-4.4 1,-0.2 5,-0.3 0.860 77.7 53.2 -59.6 -52.7 -28.7 -54.2 17.3 178 178 A K H > S+ 0 0 187 -4,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.854 114.2 45.8 -49.3 -42.8 -30.8 -57.3 18.2 179 179 A R H > S+ 0 0 133 -3,-0.3 4,-0.7 -4,-0.2 -1,-0.2 0.940 118.7 40.1 -65.7 -48.6 -32.2 -57.2 14.7 180 180 A I H >X S+ 0 0 3 -4,-2.2 4,-1.4 1,-0.2 3,-0.7 0.862 109.5 60.2 -71.5 -39.9 -28.8 -56.6 13.0 181 181 A S H 3< S+ 0 0 18 -4,-4.4 4,-0.4 1,-0.2 -1,-0.2 0.847 98.5 60.7 -52.1 -37.9 -27.1 -59.1 15.4 182 182 A K H >< S+ 0 0 109 -4,-1.1 3,-0.8 -5,-0.3 4,-0.4 0.836 99.6 53.4 -65.5 -36.7 -29.4 -61.8 14.0 183 183 A L H X< S+ 0 0 0 -4,-0.7 3,-1.9 -3,-0.7 -1,-0.2 0.931 103.8 58.0 -58.2 -48.5 -28.1 -61.4 10.5 184 184 A L T 3< S+ 0 0 30 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.540 94.8 64.6 -59.4 -14.5 -24.6 -61.9 11.8 185 185 A K T < S+ 0 0 154 -3,-0.8 -1,-0.3 -4,-0.4 2,-0.2 0.612 82.8 98.2 -89.1 -12.3 -25.5 -65.3 13.2 186 186 A E < - 0 0 81 -3,-1.9 -3,-0.0 -4,-0.4 -146,-0.0 -0.504 69.6-141.6 -71.9 141.8 -26.2 -66.5 9.6 187 187 A E - 0 0 163 -2,-0.2 -2,-0.1 1,-0.0 -1,-0.0 -0.899 15.1-113.1-113.1 137.3 -23.3 -68.5 8.1 188 188 A P - 0 0 27 0, 0.0 -155,-0.1 0, 0.0 4,-0.1 -0.230 20.1-120.0 -66.4 152.9 -22.1 -68.3 4.5 189 189 A P S S+ 0 0 78 0, 0.0 -156,-0.0 0, 0.0 -159,-0.0 0.901 110.3 40.5 -54.9 -47.4 -22.4 -71.2 1.9 190 190 A I S S- 0 0 68 -160,-0.1 -160,-0.0 2,-0.0 0, 0.0 -0.952 104.8-114.4-108.2 114.3 -18.6 -71.1 1.5 191 191 A P 0 0 104 0, 0.0 -158,-0.0 0, 0.0 -4,-0.0 -0.162 360.0 360.0 -49.5 134.5 -16.8 -70.6 4.9 192 192 A L 0 0 160 -4,-0.1 -5,-0.0 0, 0.0 -2,-0.0 0.462 360.0 360.0 -75.6 360.0 -14.9 -67.4 5.3