==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 29-JUN-07 2JS7 . COMPND 2 MOLECULE: MYELOID DIFFERENTIATION PRIMARY RESPONSE PROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.ROSSI,T.A.RAMELOT,X.TAO,M.CIANO,C.HO,L-C.MA,R.XIAO,T.B.ACT . 160 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9378.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 11.2 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 . 21 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 24.4 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 2 1 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 1 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 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 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 1 A M > 0 0 146 0, 0.0 3,-2.5 0, 0.0 2,-1.3 0.000 360.0 360.0 360.0 178.8 15.3 8.6 -12.6 2 2 A G T 3 - 0 0 32 1,-0.3 59,-0.0 61,-0.1 0, 0.0 -0.443 360.0 -23.4 66.1 -92.9 16.2 5.9 -10.0 3 3 A I T 3 S+ 0 0 137 -2,-1.3 -1,-0.3 60,-0.1 2,-0.1 0.280 103.1 128.5-131.0 2.4 18.6 7.8 -7.8 4 4 A T X - 0 0 88 -3,-2.5 3,-0.6 1,-0.1 2,-0.1 -0.338 56.3-124.1 -67.3 139.3 19.7 10.5 -10.3 5 5 A T T 3 S+ 0 0 128 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.339 90.0 50.5 -80.2 166.2 19.5 14.2 -9.2 6 6 A L T 3 S+ 0 0 158 1,-0.3 2,-0.8 -2,-0.1 -1,-0.2 0.289 81.0 125.5 83.3 -6.8 17.6 16.9 -11.2 7 7 A D < + 0 0 52 -3,-0.6 -1,-0.3 -6,-0.1 54,-0.0 -0.756 18.5 126.6 -85.6 110.6 14.7 14.5 -11.1 8 8 A D > + 0 0 56 -2,-0.8 3,-2.5 -3,-0.1 4,-0.2 -0.314 24.6 175.5-163.8 72.2 11.6 16.2 -9.5 9 9 A P T 3 S+ 0 0 89 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.769 88.4 51.3 -52.0 -27.1 8.4 16.1 -11.6 10 10 A L T 3 S- 0 0 53 3,-0.0 49,-0.0 49,-0.0 0, 0.0 0.128 129.7 -93.5 -99.8 20.0 6.5 17.8 -8.7 11 11 A G S < S- 0 0 57 -3,-2.5 -3,-0.0 2,-0.1 -4,-0.0 0.807 75.7 -62.6 75.8 30.6 9.1 20.7 -8.5 12 12 A H - 0 0 139 -4,-0.2 -4,-0.1 1,-0.1 3,-0.0 0.956 64.5-139.7 56.5 96.7 11.2 19.0 -5.7 13 13 A M > - 0 0 27 1,-0.1 3,-1.4 2,-0.0 -1,-0.1 -0.746 21.0-165.1 -94.1 118.6 9.0 18.5 -2.7 14 14 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.695 95.0 70.0 -64.3 -18.1 10.4 19.1 0.9 15 15 A E T 3 S- 0 0 98 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.737 93.0-161.2 -65.9 -25.6 7.2 17.3 1.8 16 16 A R < - 0 0 142 -3,-1.4 2,-0.3 56,-0.1 56,-0.2 -0.190 39.9 -36.6 64.5-166.1 8.7 14.1 0.3 17 17 A F E -a 72 0A 10 54,-2.4 56,-1.8 1,-0.1 30,-0.2 -0.715 45.4-154.1 -90.2 139.8 6.5 11.1 -0.6 18 18 A D E S- 0 0 4 28,-2.6 56,-2.4 -2,-0.3 2,-0.3 0.958 73.7 -1.9 -75.8 -52.3 3.4 10.3 1.5 19 19 A A E -a 74 0A 0 27,-0.5 29,-1.7 54,-0.2 2,-0.5 -0.994 58.0-136.8-145.2 148.1 3.1 6.6 0.7 20 20 A F E -ab 75 48A 4 54,-2.4 56,-2.2 -2,-0.3 2,-0.5 -0.917 23.9-143.8-105.3 123.1 4.7 3.9 -1.4 21 21 A I E -ab 76 49A 1 27,-3.2 29,-1.4 -2,-0.5 2,-0.4 -0.749 17.1-177.8 -93.2 127.8 2.4 1.6 -3.3 22 22 A C E +a 77 0A 0 54,-2.4 56,-2.1 -2,-0.5 2,-0.3 -0.988 17.7 161.0-123.4 122.7 3.3 -2.1 -3.7 23 23 A Y - 0 0 1 -2,-0.4 65,-0.1 54,-0.1 5,-0.1 -0.892 39.0 -99.3-141.3 166.5 0.8 -4.3 -5.7 24 24 A C > - 0 0 0 -2,-0.3 3,-1.3 54,-0.2 7,-0.2 -0.700 21.3-138.0 -91.4 136.5 0.4 -7.6 -7.7 25 25 A P G > S+ 0 0 81 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.773 102.2 63.6 -61.0 -27.3 0.5 -7.6 -11.6 26 26 A S G 3 S+ 0 0 85 1,-0.2 3,-0.1 2,-0.1 55,-0.0 0.720 113.7 31.9 -72.2 -21.9 -2.5 -10.0 -11.7 27 27 A D G X> S+ 0 0 12 -3,-1.3 3,-1.0 1,-0.1 4,-0.9 0.000 81.4 125.2-122.7 28.6 -4.8 -7.4 -10.1 28 28 A I H <> + 0 0 30 -3,-1.0 4,-2.7 1,-0.2 3,-0.3 0.827 61.2 68.9 -58.4 -37.3 -3.1 -4.3 -11.6 29 29 A Q H 3> S+ 0 0 127 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.857 98.8 50.5 -54.3 -38.9 -6.4 -3.0 -13.1 30 30 A F H <> S+ 0 0 79 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.890 111.4 48.0 -66.4 -39.6 -7.8 -2.2 -9.6 31 31 A V H X S+ 0 0 0 -4,-0.9 4,-2.3 -3,-0.3 5,-0.2 0.895 108.2 53.7 -69.3 -41.7 -4.6 -0.3 -8.6 32 32 A Q H X S+ 0 0 39 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.888 112.5 45.8 -57.8 -40.6 -4.6 1.7 -11.9 33 33 A E H X S+ 0 0 56 -4,-1.7 4,-2.6 -5,-0.3 -2,-0.2 0.915 110.5 55.4 -65.8 -44.6 -8.2 2.7 -11.0 34 34 A M H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.953 102.4 52.0 -54.4 -60.8 -7.2 3.5 -7.4 35 35 A I H X S+ 0 0 15 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.862 117.8 37.8 -50.6 -45.0 -4.4 6.0 -8.0 36 36 A R H X S+ 0 0 126 -4,-1.0 4,-1.8 -5,-0.2 -1,-0.2 0.884 113.7 54.8 -76.1 -38.5 -6.5 8.2 -10.3 37 37 A Q H < S+ 0 0 41 -4,-2.6 4,-0.3 2,-0.2 -2,-0.2 0.656 105.8 56.7 -72.4 -13.5 -9.7 7.8 -8.3 38 38 A L H >< S+ 0 0 4 -4,-1.8 3,-1.9 -5,-0.2 -2,-0.2 0.965 108.9 41.8 -71.6 -62.5 -7.8 9.0 -5.3 39 39 A E H 3< S+ 0 0 74 -4,-1.5 3,-0.5 1,-0.3 -2,-0.2 0.774 108.1 61.9 -58.2 -29.5 -6.7 12.3 -6.8 40 40 A Q T 3< S+ 0 0 125 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.1 0.695 122.9 18.3 -72.4 -17.5 -10.2 12.9 -8.4 41 41 A T S < S+ 0 0 61 -3,-1.9 2,-0.3 -4,-0.3 -1,-0.3 -0.531 103.8 90.9-153.7 78.6 -11.7 12.9 -4.8 42 42 A N S S- 0 0 32 -3,-0.5 101,-0.1 -2,-0.1 3,-0.1 -0.943 82.2 -93.3-159.0 177.6 -9.2 13.5 -2.0 43 43 A Y S S- 0 0 124 -2,-0.3 -4,-0.1 100,-0.2 -5,-0.0 0.018 86.4 -80.6 -91.1 28.6 -7.5 16.0 0.3 44 44 A R - 0 0 190 -6,-0.2 2,-0.2 -5,-0.1 -1,-0.1 0.735 59.7-169.0 72.2 119.5 -4.5 16.2 -2.2 45 45 A L - 0 0 14 -3,-0.1 2,-0.2 2,-0.0 101,-0.0 -0.759 19.4-158.5-129.2 174.6 -1.9 13.4 -2.1 46 46 A K + 0 0 50 -2,-0.2 -28,-2.6 2,-0.0 -27,-0.5 -0.700 28.3 158.4-159.8 102.0 1.6 12.6 -3.6 47 47 A L - 0 0 15 12,-0.3 14,-0.3 -30,-0.2 2,-0.3 -0.473 24.7-144.1-118.3-177.1 2.7 8.9 -3.8 48 48 A a E -b 20 0A 0 -29,-1.7 -27,-3.2 12,-0.2 2,-0.3 -0.960 10.4-144.6-146.8 165.2 5.1 6.6 -5.6 49 49 A V E -b 21 0A 0 -2,-0.3 14,-0.3 12,-0.3 3,-0.2 -0.890 21.3-126.3-133.1 160.3 5.1 3.0 -6.9 50 50 A S S S+ 0 0 36 -29,-1.4 2,-0.6 -2,-0.3 -1,-0.1 0.948 105.8 29.3 -69.7 -51.5 7.6 0.0 -7.2 51 51 A D + 0 0 45 1,-0.1 -1,-0.3 -28,-0.1 3,-0.2 -0.939 63.8 162.9-114.5 112.1 6.9 -0.5 -11.0 52 52 A R + 0 0 74 -2,-0.6 -1,-0.1 -3,-0.2 8,-0.1 0.281 50.5 98.4-112.7 7.0 5.9 2.7 -12.8 53 53 A D S S+ 0 0 157 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.768 93.8 36.9 -63.7 -25.0 6.5 1.6 -16.4 54 54 A V S S+ 0 0 67 -3,-0.2 3,-0.1 2,-0.1 0, 0.0 -0.001 76.6 94.4-101.6-152.4 2.8 0.9 -16.5 55 55 A L S S- 0 0 21 1,-0.1 2,-1.1 -2,-0.1 -26,-0.0 0.475 80.6 -81.5 77.5 143.5 -0.2 2.8 -15.0 56 56 A P S S- 0 0 56 0, 0.0 2,-1.7 0, 0.0 -1,-0.1 -0.653 86.0 -60.1 -81.2 96.7 -2.5 5.5 -16.6 57 57 A G S S+ 0 0 75 -2,-1.1 3,-0.4 1,-0.1 -21,-0.0 -0.492 75.6 176.3 67.5 -87.6 -0.4 8.8 -16.2 58 58 A T - 0 0 24 -2,-1.7 2,-2.2 1,-0.2 -1,-0.1 0.914 40.3-113.7 52.2 106.5 -0.2 8.8 -12.4 59 59 A C S S+ 0 0 80 -24,-0.1 -12,-0.3 -11,-0.0 2,-0.3 -0.427 75.0 116.3 -69.6 79.1 1.9 11.6 -11.0 60 60 A V - 0 0 24 -2,-2.2 2,-0.3 -3,-0.4 -12,-0.2 -0.949 41.2-166.1-140.1 160.8 4.7 9.4 -9.5 61 61 A W - 0 0 52 -14,-0.3 -12,-0.3 -2,-0.3 2,-0.1 -0.961 31.1 -80.8-148.4 169.0 8.5 8.8 -10.1 62 62 A S + 0 0 14 -2,-0.3 2,-0.2 -14,-0.1 -12,-0.1 -0.397 43.4 171.3 -77.1 141.0 11.3 6.3 -9.3 63 63 A I - 0 0 21 -14,-0.3 2,-0.4 -2,-0.1 -60,-0.1 -0.770 37.7 -80.4-134.2-179.7 13.2 6.2 -6.0 64 64 A A > - 0 0 11 -2,-0.2 3,-1.5 1,-0.1 4,-0.2 -0.721 22.0-142.9 -91.4 134.8 15.7 4.0 -4.2 65 65 A S G > S+ 0 0 78 -2,-0.4 3,-1.0 1,-0.3 4,-0.3 0.850 106.8 55.1 -59.2 -36.3 14.6 0.8 -2.3 66 66 A E G 3 S+ 0 0 170 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.584 111.8 45.8 -72.1 -9.4 17.3 1.6 0.3 67 67 A L G <> S+ 0 0 62 -3,-1.5 4,-1.9 2,-0.1 5,-0.3 0.231 73.5 109.9-119.4 11.8 15.6 5.0 0.7 68 68 A I H <> S+ 0 0 3 -3,-1.0 4,-2.8 1,-0.2 -2,-0.1 0.896 86.7 45.7 -54.5 -41.3 11.9 4.0 0.9 69 69 A E H 4 S+ 0 0 62 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.897 115.4 46.2 -66.5 -40.7 11.9 5.0 4.6 70 70 A K H 4 S+ 0 0 112 -4,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.629 122.9 35.9 -79.5 -16.5 13.7 8.2 3.8 71 71 A R H < S+ 0 0 88 -4,-1.9 -54,-2.4 1,-0.2 2,-0.4 0.834 116.7 43.0-100.1 -50.7 11.4 9.1 0.9 72 72 A a E < -a 17 0A 1 -4,-2.8 -54,-0.2 -5,-0.3 -1,-0.2 -0.836 56.3-154.2-111.1 136.9 7.9 7.8 1.9 73 73 A R E S+ 0 0 91 -56,-1.8 -54,-0.2 -2,-0.4 2,-0.2 0.911 81.6 11.1 -65.4 -44.8 6.1 8.1 5.2 74 74 A R E -a 19 0A 2 -56,-2.4 -54,-2.4 -57,-0.1 2,-0.4 -0.729 65.7-130.3-131.1 171.1 3.9 5.1 4.6 75 75 A M E -ac 20 108A 0 32,-2.2 34,-2.1 -56,-0.3 2,-0.8 -0.992 14.1-141.9-130.6 128.1 3.5 2.0 2.3 76 76 A V E -ac 21 109A 1 -56,-2.2 -54,-2.4 -2,-0.4 2,-0.9 -0.783 19.8-158.1 -86.6 107.4 0.2 1.0 0.7 77 77 A V E -ac 22 110A 0 32,-1.9 34,-2.5 -2,-0.8 2,-1.2 -0.755 4.0-157.2 -95.3 99.9 0.1 -2.9 0.8 78 78 A V E - c 0 111A 0 -56,-2.1 2,-1.2 -2,-0.9 -54,-0.2 -0.623 13.1-154.8 -76.7 97.3 -2.2 -4.3 -1.8 79 79 A V + 0 0 0 32,-1.8 35,-0.3 -2,-1.2 2,-0.3 -0.610 33.0 145.4 -83.2 95.0 -3.0 -7.7 -0.3 80 80 A S > - 0 0 0 -2,-1.2 4,-2.6 32,-0.1 5,-0.2 -0.852 62.2-106.2-122.7 164.8 -3.9 -10.1 -3.1 81 81 A D H > S+ 0 0 52 -2,-0.3 4,-0.5 1,-0.2 5,-0.1 0.882 124.2 44.5 -56.1 -41.9 -3.4 -13.8 -3.7 82 82 A D H > S+ 0 0 27 2,-0.2 4,-1.3 1,-0.2 3,-0.3 0.828 111.6 54.7 -72.3 -32.9 -0.7 -13.0 -6.3 83 83 A Y H 4 S+ 0 0 0 1,-0.2 6,-1.0 2,-0.2 3,-0.4 0.944 103.3 53.2 -65.4 -49.2 0.9 -10.4 -4.1 84 84 A L H < S+ 0 0 29 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.681 118.6 37.5 -63.1 -18.6 1.4 -12.7 -1.1 85 85 A Q H < S+ 0 0 118 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.2 0.582 105.4 81.8-106.8 -16.7 3.3 -15.2 -3.3 86 86 A S S >X S- 0 0 23 -4,-1.3 3,-1.2 -3,-0.4 4,-0.8 -0.423 94.0-100.8 -91.2 166.5 5.2 -12.7 -5.5 87 87 A K H 3> S+ 0 0 164 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.772 113.1 76.5 -53.2 -28.9 8.4 -10.7 -4.9 88 88 A E H 3> S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.892 92.7 49.5 -53.0 -45.9 6.3 -7.7 -4.1 89 89 A C H <> S+ 0 0 8 -3,-1.2 4,-2.3 -6,-1.0 -1,-0.2 0.897 110.6 50.2 -62.3 -40.9 5.4 -9.1 -0.6 90 90 A D H X S+ 0 0 91 -4,-0.8 4,-2.9 2,-0.2 -2,-0.2 0.905 109.4 51.7 -64.7 -41.6 9.0 -9.8 0.2 91 91 A F H X S+ 0 0 35 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.966 111.8 45.5 -55.6 -56.2 10.0 -6.2 -0.9 92 92 A Q H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.868 113.3 52.1 -54.7 -39.3 7.3 -4.8 1.5 93 93 A T H X S+ 0 0 27 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.938 106.6 51.1 -65.0 -47.5 8.5 -7.2 4.2 94 94 A K H X S+ 0 0 145 -4,-2.9 4,-1.4 2,-0.2 -2,-0.2 0.894 112.3 48.1 -57.6 -42.6 12.2 -6.2 3.9 95 95 A F H >X S+ 0 0 12 -4,-2.2 4,-1.0 2,-0.2 3,-0.6 0.956 111.4 49.3 -59.5 -52.1 11.1 -2.5 4.2 96 96 A A H 3X S+ 0 0 1 -4,-2.5 4,-1.1 1,-0.2 3,-0.3 0.835 107.3 56.4 -58.5 -34.8 8.9 -3.3 7.3 97 97 A L H 3< S+ 0 0 111 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.846 105.1 50.9 -66.4 -35.4 11.9 -5.2 8.8 98 98 A S H << S+ 0 0 88 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.682 108.8 56.6 -76.6 -17.1 14.2 -2.1 8.6 99 99 A L H < S- 0 0 36 -4,-1.0 -2,-0.2 -3,-0.3 -3,-0.1 0.973 112.7 -74.5 -76.3 -81.5 11.5 0.0 10.3 100 100 A S X - 0 0 53 -4,-1.1 4,-1.9 1,-0.1 5,-0.3 -0.853 33.2-100.8 177.3 145.1 10.6 -1.5 13.7 101 101 A P T 4 S+ 0 0 119 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.849 119.3 13.5 -44.0 -46.6 8.6 -4.5 15.2 102 102 A G T >> S+ 0 0 46 2,-0.1 3,-1.7 3,-0.1 4,-1.0 0.890 122.5 57.9 -98.2 -53.0 5.5 -2.3 16.0 103 103 A A H 3> S+ 0 0 61 1,-0.3 4,-0.9 2,-0.2 3,-0.3 0.814 99.1 62.6 -50.9 -37.5 6.0 1.0 14.2 104 104 A H H 3< S+ 0 0 13 -4,-1.9 3,-0.5 1,-0.2 4,-0.4 0.863 97.9 57.7 -57.1 -36.0 6.2 -0.7 10.8 105 105 A Q H X4 S+ 0 0 37 -3,-1.7 3,-1.0 -5,-0.3 -1,-0.2 0.903 106.4 46.4 -65.9 -42.6 2.6 -2.0 11.3 106 106 A K H 3< S+ 0 0 105 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.652 111.0 56.2 -69.0 -16.5 1.2 1.5 11.7 107 107 A R T 3< S+ 0 0 26 -4,-0.9 -32,-2.2 -3,-0.5 2,-0.5 0.445 98.2 71.4 -96.6 -2.8 3.2 2.4 8.6 108 108 A L E < -c 75 0A 2 -3,-1.0 20,-0.3 -4,-0.4 19,-0.2 -0.953 60.8-168.6-119.8 116.0 1.6 -0.3 6.4 109 109 A I E -c 76 0A 22 -34,-2.1 -32,-1.9 -2,-0.5 2,-0.5 -0.894 15.4-146.1-105.4 110.2 -2.0 0.0 5.2 110 110 A P E -c 77 0A 1 0, 0.0 20,-1.6 0, 0.0 2,-0.4 -0.620 12.2-164.4 -78.0 121.2 -3.3 -3.2 3.6 111 111 A I E -cd 78 130A 0 -34,-2.5 -32,-1.8 -2,-0.5 2,-0.5 -0.904 1.7-166.4-106.5 135.0 -5.8 -2.7 0.8 112 112 A K E + d 0 131A 27 18,-1.8 20,-1.3 -2,-0.4 21,-1.3 -0.917 19.0 168.6-129.2 105.7 -8.0 -5.6 -0.4 113 113 A Y S S+ 0 0 9 -2,-0.5 2,-0.1 19,-0.2 -1,-0.1 0.658 73.4 22.8 -85.2 -17.9 -9.9 -5.5 -3.7 114 114 A K S S- 0 0 53 -35,-0.3 2,-0.3 19,-0.0 19,-0.3 -0.435 81.0-104.1-131.3-163.3 -10.8 -9.2 -3.7 115 115 A A + 0 0 78 -2,-0.1 2,-0.1 18,-0.1 -35,-0.1 -0.868 39.5 177.1-139.9 106.5 -11.3 -12.2 -1.4 116 116 A M - 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