==== 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 PEPTIDE BINDING PROTEIN 03-JUL-02 1M4Q . COMPND 2 MOLECULE: TUMOR SUSCEPTIBILITY GENE 101 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR O.PORNILLOS,S.L.ALAM,D.R.DAVIS,W.I.SUNDQUIST . 153 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10156.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 53.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 19.0 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 . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.0 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 . 2 1.3 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 . 7 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 20.9 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+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 0 0 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 3 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 A 0 0 123 0, 0.0 4,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.8 7.6 -7.0 15.9 2 3 A V > + 0 0 136 2,-0.1 4,-0.6 1,-0.1 3,-0.4 0.659 360.0 60.2-102.8 -23.9 9.2 -10.5 15.7 3 4 A S H > S+ 0 0 76 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.664 84.0 82.9 -78.2 -16.7 8.8 -11.0 12.0 4 5 A E H > S+ 0 0 86 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.908 90.5 49.7 -52.7 -45.9 10.9 -7.9 11.3 5 6 A S H > S+ 0 0 96 -3,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.929 115.1 42.5 -59.5 -47.3 14.1 -10.0 11.7 6 7 A Q H X S+ 0 0 134 -4,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.774 105.6 66.9 -70.7 -27.1 12.8 -12.7 9.3 7 8 A L H X S+ 0 0 3 -4,-2.7 4,-0.7 2,-0.2 3,-0.3 0.941 98.1 50.6 -58.6 -50.7 11.5 -10.0 7.0 8 9 A K H >X S+ 0 0 112 -4,-1.7 4,-1.0 1,-0.3 3,-1.0 0.904 113.4 45.6 -55.0 -43.8 15.0 -8.8 6.1 9 10 A K H 3< S+ 0 0 166 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.763 98.1 73.3 -71.2 -24.9 16.0 -12.4 5.3 10 11 A M H 3< S+ 0 0 54 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.739 113.3 24.0 -61.2 -22.2 12.8 -12.9 3.4 11 12 A V H << + 0 0 7 -3,-1.0 -2,-0.2 -4,-0.7 -3,-0.1 0.764 61.9 154.9-105.1 -82.0 14.3 -10.7 0.7 12 13 A S S < S+ 0 0 69 -4,-1.0 -3,-0.1 1,-0.1 -4,-0.1 0.797 73.3 68.2 54.5 28.9 18.1 -10.6 0.7 13 14 A K + 0 0 179 37,-0.0 -1,-0.1 64,-0.0 64,-0.0 0.345 65.8 117.2-153.4 -1.3 17.9 -9.7 -3.0 14 15 A Y S > S- 0 0 12 1,-0.1 3,-0.7 63,-0.0 4,-0.1 -0.280 75.0-112.9 -71.9 161.9 16.4 -6.2 -3.3 15 16 A K T 3 S+ 0 0 133 1,-0.3 2,-0.1 2,-0.1 -1,-0.1 0.873 114.4 14.6 -61.9 -36.7 18.4 -3.3 -4.8 16 17 A Y T 3> + 0 0 128 61,-0.3 4,-2.8 1,-0.1 -1,-0.3 -0.579 70.0 170.9-140.2 72.9 18.5 -1.7 -1.3 17 18 A R H <> S+ 0 0 104 -3,-0.7 4,-3.9 2,-0.2 5,-0.3 0.909 84.3 47.3 -48.0 -50.4 17.5 -4.3 1.3 18 19 A D H > S+ 0 0 130 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.960 116.7 41.3 -57.8 -55.5 18.5 -1.9 4.1 19 20 A L H > S+ 0 0 124 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.747 119.3 48.8 -65.3 -23.5 16.7 1.1 2.6 20 21 A T H X S+ 0 0 15 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.914 112.1 45.1 -81.6 -47.4 13.8 -1.2 1.8 21 22 A V H X S+ 0 0 15 -4,-3.9 4,-2.6 -5,-0.3 5,-0.3 0.924 114.1 49.7 -61.9 -46.5 13.5 -2.9 5.2 22 23 A R H X S+ 0 0 194 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.911 111.3 49.2 -59.6 -44.3 13.7 0.4 7.0 23 24 A E H X S+ 0 0 34 -4,-1.1 4,-1.7 -5,-0.3 -1,-0.2 0.911 111.6 49.9 -62.1 -43.5 11.1 2.0 4.8 24 25 A T H >X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 3,-0.6 0.974 112.8 44.0 -59.4 -58.8 8.8 -1.0 5.4 25 26 A V H 3X S+ 0 0 12 -4,-2.6 4,-3.5 1,-0.2 5,-0.2 0.888 109.5 58.5 -54.2 -42.6 9.1 -1.1 9.2 26 27 A N H 3X S+ 0 0 74 -4,-2.4 4,-1.3 -5,-0.3 -1,-0.2 0.879 104.6 51.3 -55.8 -40.7 8.7 2.7 9.2 27 28 A V H + 0 0 91 4,-1.0 2,-1.6 -2,-0.2 3,-0.5 0.337 45.5 82.0-146.5 -67.1 8.4 -13.5 -14.5 44 45 A N T 3 S- 0 0 125 3,-0.6 -1,-0.1 1,-0.3 4,-0.0 -0.320 132.8 -49.7 -56.2 85.4 11.8 -14.2 -16.1 45 46 A D T 3 S- 0 0 167 -2,-1.6 -1,-0.3 1,-0.1 -3,-0.0 0.758 125.7 -32.9 52.8 25.1 10.5 -16.4 -18.9 46 47 A G S < S+ 0 0 54 -3,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.893 98.7 134.0 94.8 74.9 8.6 -18.2 -16.2 47 48 A S - 0 0 70 -6,-0.0 -4,-1.0 2,-0.0 -3,-0.6 -0.837 53.8-117.1-157.5 112.8 10.5 -18.2 -12.9 48 49 A S E -E 42 0B 85 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.3 -0.105 33.9-166.7 -48.6 143.3 9.2 -17.5 -9.4 49 50 A R E -E 41 0B 100 -8,-1.6 -8,-1.0 2,-0.1 2,-0.4 -1.000 26.2-108.7-139.9 139.8 10.7 -14.4 -7.8 50 51 A E E +E 40 0B 105 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.520 44.8 166.5 -69.4 119.7 10.7 -13.1 -4.2 51 52 A L - 0 0 10 -12,-3.0 -12,-0.4 -2,-0.4 2,-0.1 -0.907 20.1-154.2-142.0 110.8 8.5 -10.0 -4.1 52 53 A M - 0 0 3 -2,-0.4 23,-1.9 23,-0.3 2,-0.3 -0.405 15.3-175.3 -80.1 158.2 7.3 -8.5 -0.8 53 54 A N E -AB 37 74A 3 -16,-3.3 -16,-3.6 21,-0.2 2,-0.3 -0.943 24.5-105.1-148.3 166.7 4.1 -6.4 -0.5 54 55 A L E +AB 36 73A 0 19,-3.1 19,-1.1 -2,-0.3 2,-0.3 -0.761 37.4 169.1-100.1 144.6 2.2 -4.3 2.0 55 56 A T E +AB 35 72A 41 -20,-1.4 -20,-3.8 -2,-0.3 17,-0.2 -0.960 21.4 79.0-147.4 163.0 -1.1 -5.4 3.6 56 57 A G E S-AB 34 71A 13 15,-0.6 15,-1.5 -2,-0.3 2,-0.5 -0.466 73.7 -63.9 122.1 165.1 -3.4 -4.3 6.4 57 58 A T E - B 0 70A 11 -24,-0.7 12,-0.1 89,-0.2 -2,-0.1 -0.769 43.9-147.3 -92.0 127.0 -6.2 -1.8 7.2 58 59 A I E - B 0 69A 2 11,-3.5 11,-2.7 -2,-0.5 2,-0.5 -0.755 24.3-109.2 -94.6 136.8 -5.2 1.9 7.1 59 60 A P E - B 0 68A 37 0, 0.0 9,-0.2 0, 0.0 -1,-0.0 -0.502 32.7-166.8 -68.4 116.6 -7.0 4.3 9.5 60 61 A V E - B 0 67A 0 7,-2.5 7,-2.3 -2,-0.5 2,-0.3 -0.895 9.7-148.1-109.2 105.8 -9.3 6.6 7.5 61 62 A P E - B 0 66A 64 0, 0.0 5,-0.3 0, 0.0 2,-0.1 -0.557 17.4-170.8 -76.4 130.0 -10.5 9.6 9.5 62 63 A Y - 0 0 92 3,-2.8 74,-0.1 -2,-0.3 75,-0.0 -0.152 51.7 -61.2-101.9-161.3 -14.0 10.9 8.7 63 64 A R S S- 0 0 247 1,-0.2 3,-0.0 73,-0.1 73,-0.0 0.787 131.3 -15.7 -55.3 -27.8 -15.9 14.0 9.7 64 65 A G S S+ 0 0 65 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.174 129.0 59.7-165.6 25.6 -15.6 12.7 13.3 65 66 A N - 0 0 107 -5,-0.0 -3,-2.8 2,-0.0 2,-0.3 -0.783 60.9-135.0-144.2-173.4 -14.6 9.1 13.1 66 67 A T E -B 61 0A 81 -5,-0.3 2,-0.1 -2,-0.2 69,-0.0 -0.797 20.0-177.4-157.9 109.7 -11.9 6.7 11.8 67 68 A Y E -B 60 0A 81 -7,-2.3 -7,-2.5 -2,-0.3 2,-0.6 -0.291 32.3-107.1 -97.4-176.0 -12.4 3.4 10.0 68 69 A N E -B 59 0A 31 80,-0.9 82,-0.5 -9,-0.2 -12,-0.0 -0.836 29.4-160.1-120.0 92.7 -9.9 0.8 8.7 69 70 A I E -B 58 0A 1 -11,-2.7 -11,-3.5 -2,-0.6 2,-0.4 -0.562 16.4-132.6 -74.0 127.6 -9.6 0.8 5.0 70 71 A P E +B 57 0A 0 0, 0.0 19,-1.0 0, 0.0 2,-0.3 -0.669 37.3 158.2 -84.4 130.5 -8.1 -2.4 3.5 71 72 A I E -BC 56 88A 2 -15,-1.5 -15,-0.6 -2,-0.4 2,-0.3 -0.970 21.9-170.2-148.6 161.9 -5.3 -2.1 1.0 72 73 A C E +BC 55 87A 23 15,-2.2 15,-1.6 -2,-0.3 2,-0.3 -0.931 9.0 174.8-157.6 129.0 -2.4 -4.0 -0.6 73 74 A L E -BC 54 86A 4 -19,-1.1 -19,-3.1 -2,-0.3 2,-0.4 -0.995 31.2-115.4-140.5 145.6 0.4 -2.9 -2.8 74 75 A W E -B 53 0A 50 11,-0.6 2,-0.9 -2,-0.3 11,-0.3 -0.634 23.3-141.9 -81.3 131.0 3.5 -4.5 -4.3 75 76 A L - 0 0 4 -23,-1.9 -23,-0.3 -2,-0.4 -1,-0.0 -0.805 19.9-157.0 -96.9 101.4 6.8 -3.1 -3.1 76 77 A L - 0 0 40 -2,-0.9 -62,-0.0 -25,-0.1 -25,-0.0 -0.159 27.4-107.9 -69.9 168.9 9.3 -3.1 -6.1 77 78 A D S S- 0 0 46 2,-0.1 -61,-0.3 5,-0.1 -1,-0.1 0.971 79.6 -61.1 -62.3 -56.4 13.0 -3.0 -5.7 78 79 A T S S+ 0 0 49 1,-0.1 -1,-0.1 4,-0.1 4,-0.1 0.174 82.8 156.0 171.9 41.5 13.5 0.6 -6.8 79 80 A Y S S- 0 0 171 1,-0.1 -1,-0.1 2,-0.1 -2,-0.1 -0.996 73.8 -11.0-142.5 133.7 12.3 1.0 -10.3 80 81 A P S S- 0 0 84 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.936 123.2 -70.8 -73.9 -23.9 11.4 3.3 -11.8 81 82 A Y S S+ 0 0 119 1,-0.5 -2,-0.1 -2,-0.0 0, 0.0 0.320 103.3 8.7-158.1 -40.2 11.3 5.0 -8.4 82 83 A N S S- 0 0 27 -4,-0.1 -1,-0.5 40,-0.1 -4,-0.1 -0.950 90.2 -71.3-148.7 166.2 8.5 3.6 -6.3 83 84 A P - 0 0 8 0, 0.0 -8,-0.1 0, 0.0 30,-0.0 -0.472 40.0-178.4 -65.1 110.3 5.9 0.8 -6.3 84 85 A P + 0 0 72 0, 0.0 2,-0.5 0, 0.0 -9,-0.1 0.798 55.4 97.3 -79.4 -30.4 3.3 1.7 -8.9 85 86 A I + 0 0 57 -11,-0.3 -11,-0.6 22,-0.1 2,-0.3 -0.470 50.2 156.3 -64.4 113.5 1.1 -1.4 -8.2 86 87 A C E +C 73 0A 22 -2,-0.5 22,-3.1 22,-0.2 2,-0.3 -0.947 5.8 154.2-147.4 123.3 -1.6 -0.3 -5.9 87 88 A F E -CD 72 107A 66 -15,-1.6 -15,-2.2 -2,-0.3 2,-0.3 -0.989 36.2-118.3-146.8 153.3 -5.1 -1.8 -5.3 88 89 A V E -C 71 0A 10 18,-3.1 -17,-0.3 -2,-0.3 8,-0.0 -0.711 18.1-140.0 -94.0 142.4 -7.7 -1.9 -2.5 89 90 A K - 0 0 74 -19,-1.0 2,-0.3 -2,-0.3 17,-0.1 -0.801 22.0-167.5-105.0 92.7 -8.7 -5.2 -0.9 90 91 A P - 0 0 56 0, 0.0 2,-0.0 0, 0.0 6,-0.0 -0.614 15.6-129.5 -82.4 135.9 -12.5 -5.1 -0.3 91 92 A T > - 0 0 56 -2,-0.3 3,-2.5 1,-0.1 0, 0.0 -0.302 30.0-100.4 -77.9 165.2 -14.2 -7.7 1.9 92 93 A S T 3 S+ 0 0 140 1,-0.3 -1,-0.1 3,-0.1 0, 0.0 0.787 129.3 44.2 -55.2 -28.6 -17.2 -9.8 0.9 93 94 A S T 3 S+ 0 0 91 2,-0.0 50,-1.5 49,-0.0 -1,-0.3 0.323 100.5 95.4 -98.6 6.3 -19.2 -7.4 3.0 94 95 A M < - 0 0 17 -3,-2.5 2,-0.4 48,-0.2 48,-0.2 -0.473 63.5-142.9 -93.9 166.8 -17.5 -4.3 1.6 95 96 A T - 0 0 55 54,-0.3 46,-0.6 -2,-0.1 2,-0.2 -0.926 10.1-141.0-137.7 111.5 -18.5 -2.0 -1.2 96 97 A I B -F 140 0C 46 -2,-0.4 2,-0.5 44,-0.3 44,-0.3 -0.469 14.3-145.5 -70.8 136.3 -16.1 -0.5 -3.7 97 98 A K - 0 0 74 42,-3.8 2,-0.1 -2,-0.2 7,-0.1 -0.914 12.9-131.6-108.5 121.6 -16.9 3.1 -4.7 98 99 A T + 0 0 91 -2,-0.5 2,-0.3 6,-0.1 5,-0.2 -0.417 47.4 125.4 -70.2 142.4 -16.0 4.2 -8.3 99 100 A G B > S-G 102 0D 36 3,-2.8 3,-2.7 -2,-0.1 10,-0.1 -0.982 75.0 -69.7-178.4 176.7 -14.1 7.4 -8.7 100 101 A K T 3 S+ 0 0 155 1,-0.3 9,-0.1 -2,-0.3 3,-0.1 0.779 134.1 46.3 -54.5 -27.0 -11.1 9.2 -10.2 101 102 A H T 3 S+ 0 0 22 1,-0.2 2,-0.3 7,-0.1 8,-0.3 0.360 119.7 40.7 -97.0 3.2 -9.0 7.2 -7.6 102 103 A V B < -G 99 0D 6 -3,-2.7 -3,-2.8 6,-0.2 6,-0.2 -0.967 51.9-169.3-155.7 135.5 -10.8 3.9 -8.3 103 104 A D - 0 0 53 4,-1.3 -1,-0.1 -2,-0.3 5,-0.1 0.945 59.6 -88.9 -85.5 -63.3 -11.9 2.1 -11.4 104 105 A A S S+ 0 0 60 3,-0.2 -8,-0.1 -6,-0.1 -6,-0.1 0.175 114.7 69.3 173.4 -26.8 -14.0 -0.8 -10.1 105 106 A N S S- 0 0 142 2,-0.1 3,-0.1 -9,-0.0 -3,-0.0 0.283 114.8 -99.1 -94.0 9.6 -11.7 -3.8 -9.4 106 107 A G S S+ 0 0 0 1,-0.3 -18,-3.1 -19,-0.1 2,-0.1 0.265 80.1 139.3 92.7 -12.6 -10.0 -2.0 -6.5 107 108 A K B -D 87 0A 111 -20,-0.3 -4,-1.3 1,-0.1 2,-0.3 -0.433 55.3-119.6 -68.9 137.7 -7.0 -0.9 -8.7 108 109 A I - 0 0 21 -22,-3.1 -22,-0.2 -6,-0.2 -6,-0.2 -0.620 30.0-160.2 -81.1 132.9 -5.8 2.7 -8.0 109 110 A Y + 0 0 145 -2,-0.3 -1,-0.1 -8,-0.3 -8,-0.1 -0.108 45.4 71.2 -96.0-164.2 -6.0 5.1 -11.0 110 111 A L S S- 0 0 68 1,-0.1 3,-0.2 2,-0.1 4,-0.1 0.390 84.2 -96.3 68.9 149.1 -4.2 8.3 -11.7 111 112 A P > + 0 0 68 0, 0.0 2,-2.3 0, 0.0 3,-1.1 0.923 55.1 164.0 -63.9 -46.3 -0.5 8.6 -12.6 112 113 A Y T 3> S+ 0 0 53 1,-0.3 4,-2.2 2,-0.1 5,-0.3 -0.384 78.1 31.5 64.0 -80.0 0.6 9.5 -9.0 113 114 A L T 34 S+ 0 0 41 -2,-2.3 -1,-0.3 -3,-0.2 -3,-0.0 0.912 117.4 55.7 -72.4 -44.6 4.3 8.7 -9.6 114 115 A H T <4 S+ 0 0 162 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.647 114.5 43.9 -63.0 -14.2 4.2 9.8 -13.2 115 116 A E T 4 S+ 0 0 154 -3,-0.2 -2,-0.2 -5,-0.0 -1,-0.2 0.898 126.6 20.2 -95.1 -58.8 2.9 13.1 -12.0 116 117 A W < + 0 0 122 -4,-2.2 -3,-0.2 1,-0.0 -2,-0.1 0.956 64.9 145.4 -75.2 -86.5 4.9 14.0 -8.9 117 118 A K + 0 0 117 -5,-0.3 3,-0.2 2,-0.1 -4,-0.1 0.920 27.1 129.7 44.8 56.3 8.2 12.1 -9.0 118 119 A H S S- 0 0 123 1,-1.8 2,-0.2 3,-0.0 -1,-0.1 0.870 74.7-133.7 -73.9 -39.2 10.1 14.9 -7.4 119 120 A P S S+ 0 0 43 0, 0.0 2,-3.2 0, 0.0 -1,-1.8 -0.675 77.2 123.1 -71.3 -56.7 10.7 12.5 -5.9 120 121 A Q + 0 0 145 -2,-0.2 2,-0.4 -3,-0.2 5,-0.1 -0.219 59.5 87.5 70.5 -53.5 10.2 14.1 -2.5 121 122 A S - 0 0 40 -2,-3.2 2,-0.2 4,-0.1 -1,-0.1 -0.637 62.4-172.4 -81.6 130.8 7.6 11.5 -1.6 122 123 A D > - 0 0 82 -2,-0.4 4,-3.1 -3,-0.0 5,-0.1 -0.532 45.7 -75.8-113.0-179.5 8.9 8.3 -0.1 123 124 A L H > S+ 0 0 15 1,-0.3 4,-1.3 2,-0.2 5,-0.2 0.877 136.2 41.7 -42.1 -49.0 7.4 4.9 0.8 124 125 A L H > S+ 0 0 37 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.878 113.9 52.5 -69.0 -38.6 5.7 6.5 3.9 125 126 A G H > S+ 0 0 19 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.826 102.6 61.2 -66.9 -31.8 4.7 9.6 1.9 126 127 A L H >X S+ 0 0 27 -4,-3.1 4,-1.4 1,-0.2 3,-1.0 0.987 109.0 37.8 -58.0 -64.6 3.1 7.4 -0.8 127 128 A I H 3X S+ 0 0 1 -4,-1.3 4,-2.8 1,-0.3 -1,-0.2 0.813 108.8 67.8 -57.8 -30.3 0.5 5.8 1.4 128 129 A Q H 3X S+ 0 0 111 -4,-1.5 4,-2.2 2,-0.2 -1,-0.3 0.900 100.1 48.0 -57.0 -42.3 0.2 9.2 3.2 129 130 A V H X S+ 0 0 34 -4,-3.1 4,-2.3 1,-0.2 3,-1.4 0.950 118.1 47.1 -61.7 -51.9 -7.4 11.5 -0.2 134 135 A F H 3< S+ 0 0 3 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.580 98.0 76.3 -67.5 -9.2 -9.2 8.4 1.1 135 136 A G H 34 S+ 0 0 2 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.2 0.803 114.0 16.1 -72.5 -29.1 -9.7 10.3 4.4 136 137 A D H << S+ 0 0 134 -3,-1.4 -2,-0.2 -4,-0.6 -3,-0.1 0.763 121.7 61.4-108.9 -46.5 -12.4 12.5 2.9 137 138 A E S < S- 0 0 42 -4,-2.3 -1,-0.2 -5,-0.2 -75,-0.0 -0.768 83.4-133.0 -89.4 111.1 -13.5 10.6 -0.3 138 139 A P - 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