==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 12-NOV-04 1XZO . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YPMQ; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR Q.YE,I.IMRISKOVA-SOSOVA,B.C.HILL,Z.JIA,MONTREAL-KINGSTON BAC . 343 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 11.7 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 . 4 1.2 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 . 1 0.3 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 . 27 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0 0 0 2 0 0 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 0 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 . 2 2 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 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 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 3 A Q 0 0 174 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.9 -11.0 9.4 5.5 2 4 A Q - 0 0 206 1,-0.0 2,-0.3 166,-0.0 166,-0.1 -0.772 360.0-108.0 -98.3 137.5 -8.0 10.3 3.3 3 5 A I - 0 0 40 -2,-0.4 -1,-0.0 164,-0.2 161,-0.0 -0.519 38.5-126.1 -73.6 130.8 -6.6 13.8 3.4 4 6 A K - 0 0 93 -2,-0.3 -1,-0.1 1,-0.2 144,-0.0 0.889 68.5 -20.6 -46.7-120.8 -7.4 15.7 0.0 5 7 A D S S- 0 0 143 2,-0.0 -1,-0.2 142,-0.0 -2,-0.0 -0.755 79.1-150.4 -99.3 82.9 -4.9 17.5 -2.2 6 8 A P - 0 0 47 0, 0.0 142,-0.2 0, 0.0 141,-0.2 -0.270 12.8-138.5 -65.7 141.2 -2.1 17.8 0.4 7 9 A L - 0 0 47 140,-2.0 140,-0.2 1,-0.1 141,-0.1 0.843 23.6-160.7 -68.1 -35.1 0.2 20.8 0.0 8 10 A N + 0 0 69 138,-1.4 139,-0.2 1,-0.2 2,-0.1 0.678 23.9 164.0 57.2 34.1 3.1 18.7 0.9 9 11 A Y E -A 146 0A 64 137,-1.1 137,-2.8 1,-0.1 2,-0.7 -0.404 37.5-123.4 -78.5 148.5 5.5 21.6 1.8 10 12 A E E -A 145 0A 110 106,-0.3 2,-0.2 135,-0.2 135,-0.2 -0.844 17.2-136.6 -97.2 117.9 8.5 20.7 3.8 11 13 A V - 0 0 15 133,-2.3 3,-0.1 -2,-0.7 103,-0.1 -0.581 25.9-122.4 -70.7 130.8 8.9 22.5 7.1 12 14 A E - 0 0 39 101,-0.3 14,-0.1 -2,-0.2 -1,-0.1 -0.436 33.4 -90.9 -69.7 150.7 12.5 23.6 7.5 13 15 A P + 0 0 32 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.281 58.7 166.4 -55.2 139.1 14.5 22.5 10.6 14 16 A F - 0 0 2 -3,-0.1 12,-1.9 2,-0.0 13,-0.4 -0.979 32.9-165.1-156.9 152.7 14.2 24.9 13.5 15 17 A T E +F 25 0B 15 -2,-0.3 10,-0.2 10,-0.2 2,-0.2 -0.935 27.0 160.4-139.3 110.4 14.8 25.3 17.2 16 18 A F E -F 24 0B 2 8,-2.5 8,-2.9 -2,-0.3 2,-0.4 -0.720 36.9-107.5-118.3 178.1 13.0 28.2 18.7 17 19 A Q E -FG 23 103B 29 86,-3.0 86,-2.7 -2,-0.2 6,-0.2 -0.911 26.2-138.4-113.8 141.2 12.2 29.0 22.4 18 20 A N > - 0 0 8 4,-3.1 3,-1.8 -2,-0.4 84,-0.2 0.018 40.7 -84.0 -87.6-177.4 8.7 28.9 24.0 19 21 A Q T 3 S+ 0 0 3 82,-0.3 67,-0.2 1,-0.3 83,-0.1 0.678 131.9 51.4 -64.3 -19.3 7.1 31.3 26.4 20 22 A D T 3 S- 0 0 94 2,-0.1 -1,-0.3 81,-0.1 3,-0.1 0.301 121.4-107.7 -94.5 5.7 8.8 29.4 29.3 21 23 A G S < S+ 0 0 38 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.597 74.2 141.0 81.7 8.7 12.2 29.7 27.6 22 24 A K - 0 0 148 1,-0.1 -4,-3.1 -5,-0.0 2,-0.3 -0.637 56.8-105.3 -85.0 141.0 12.2 26.0 26.7 23 25 A N E -F 17 0B 71 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.509 34.0-175.0 -66.0 135.8 13.6 24.7 23.3 24 26 A V E +F 16 0B 5 -8,-2.9 -8,-2.5 -2,-0.3 2,-0.3 -0.998 10.0 177.4-131.4 124.9 11.0 23.6 20.7 25 27 A S E > -F 15 0B 18 -2,-0.4 4,-0.9 -10,-0.2 3,-0.4 -0.927 44.3-115.5-123.8 157.9 12.2 22.0 17.5 26 28 A L T >4 S+ 0 0 33 -12,-1.9 3,-1.2 -2,-0.3 4,-0.3 0.916 119.6 54.6 -52.5 -42.2 10.8 20.4 14.3 27 29 A E G >4 S+ 0 0 115 -13,-0.4 3,-1.4 1,-0.3 -1,-0.2 0.877 101.2 56.2 -62.2 -42.0 12.5 17.3 15.4 28 30 A S G 34 S+ 0 0 58 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.687 105.6 54.2 -59.9 -23.9 10.7 17.4 18.8 29 31 A L G X< S+ 0 0 1 -3,-1.2 3,-2.0 -4,-0.9 -1,-0.2 0.371 78.2 127.1 -92.5 -3.6 7.4 17.5 16.8 30 32 A K T < S+ 0 0 149 -3,-1.4 113,-0.2 -4,-0.3 3,-0.1 -0.360 76.4 19.6 -57.2 130.1 8.2 14.3 14.8 31 33 A G T 3 S+ 0 0 39 111,-3.4 2,-0.4 1,-0.2 -1,-0.3 0.382 107.5 101.7 85.4 -0.8 5.4 11.8 15.1 32 34 A E < - 0 0 16 -3,-2.0 2,-0.4 110,-0.3 112,-0.3 -0.899 66.8-134.5-114.9 139.7 2.9 14.5 16.1 33 35 A V + 0 0 1 -2,-0.4 36,-2.1 34,-0.3 2,-0.3 -0.750 36.7 178.8 -78.5 137.0 0.2 16.3 14.1 34 36 A W E -bC 69 140A 2 106,-2.8 106,-3.5 -2,-0.4 2,-0.4 -0.978 29.1-137.5-145.6 166.4 0.2 20.0 14.7 35 37 A L E -bC 70 139A 1 34,-2.1 36,-3.2 -2,-0.3 2,-0.4 -0.891 23.8-164.2-114.7 142.1 -1.4 23.3 13.8 36 38 A A E +bC 71 138A 2 102,-2.4 102,-2.5 -2,-0.4 2,-0.3 -0.974 12.3 166.8-132.5 144.3 0.6 26.5 13.2 37 39 A D E -b 72 0A 0 34,-1.9 36,-3.0 -2,-0.4 2,-0.4 -0.877 29.1-121.9-144.6 176.9 -0.1 30.1 13.0 38 40 A F E +b 73 0A 12 98,-0.3 2,-0.3 -2,-0.3 36,-0.2 -0.981 38.1 158.6-125.0 118.4 1.7 33.5 13.0 39 41 A I E -b 74 0A 5 34,-2.3 36,-2.7 -2,-0.4 37,-0.4 -0.833 27.4-149.7-135.4 166.6 1.1 36.2 15.6 40 42 A F - 0 0 23 -2,-0.3 34,-0.0 34,-0.2 -2,-0.0 -0.984 11.8-146.5-134.5 158.8 2.4 39.3 17.2 41 43 A T S S+ 0 0 22 -2,-0.3 2,-1.2 35,-0.2 -1,-0.1 0.718 72.3 86.7 -93.5 -26.7 1.8 40.5 20.8 42 44 A N + 0 0 72 34,-0.1 2,-0.3 86,-0.1 -1,-0.1 -0.683 49.8 124.9 -93.2 97.0 1.9 44.3 20.4 43 45 A C + 0 0 30 -2,-1.2 4,-0.1 1,-0.1 85,-0.1 -0.916 17.5 161.5-146.8 116.1 -1.5 45.6 19.5 44 46 A E S S+ 0 0 182 83,-0.4 3,-0.2 -2,-0.3 -1,-0.1 0.796 76.4 59.8 -82.3 -66.4 -3.5 48.3 21.4 45 47 A T S S- 0 0 72 1,-0.2 84,-0.3 82,-0.2 -1,-0.0 -0.351 125.1 -31.4 -67.8 143.6 -5.8 49.1 18.4 46 48 A I - 0 0 98 1,-0.1 83,-0.5 82,-0.1 -1,-0.2 0.586 67.4-143.2 -0.5 112.2 -7.8 46.1 17.1 47 49 A C - 0 0 68 -3,-0.2 -1,-0.1 -4,-0.1 83,-0.1 -0.648 26.7-101.1 -84.1 137.0 -5.9 42.9 17.7 48 50 A P - 0 0 16 0, 0.0 3,-0.4 0, 0.0 4,-0.3 -0.264 24.3-127.2 -55.5 150.4 -6.3 40.2 15.0 49 51 A P S > S+ 0 0 41 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.369 80.1 101.9 -73.8 -5.0 -8.7 37.3 15.7 50 52 A M H > S+ 0 0 11 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.883 82.1 45.9 -58.3 -40.2 -6.3 34.4 15.0 51 53 A T H > S+ 0 0 4 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.898 111.0 54.0 -73.1 -35.3 -5.5 33.5 18.6 52 54 A A H > S+ 0 0 38 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.930 111.6 44.8 -57.4 -49.2 -9.2 33.7 19.6 53 55 A H H X S+ 0 0 41 -4,-2.2 4,-2.7 99,-0.2 -1,-0.2 0.834 113.0 50.7 -58.0 -40.3 -10.0 31.2 16.8 54 56 A M H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.898 107.4 54.8 -70.8 -30.7 -7.2 29.0 17.7 55 57 A T H X S+ 0 0 7 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.932 109.6 45.3 -65.0 -41.6 -8.3 29.1 21.3 56 58 A D H X S+ 0 0 77 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.951 113.5 52.1 -75.1 -34.5 -11.8 27.9 20.3 57 59 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.924 106.2 52.6 -60.5 -44.4 -10.0 25.2 18.1 58 60 A Q H X S+ 0 0 8 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.919 110.6 49.2 -54.5 -47.8 -7.9 24.1 21.0 59 61 A K H X S+ 0 0 140 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.899 110.1 49.2 -61.4 -43.4 -11.2 23.6 23.0 60 62 A K H X S+ 0 0 90 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.889 112.6 47.6 -67.0 -43.0 -13.0 21.7 20.3 61 63 A L H <>S+ 0 0 1 -4,-2.6 5,-2.6 -5,-0.2 3,-0.2 0.893 110.1 52.7 -66.6 -36.3 -10.0 19.3 19.9 62 64 A K H ><5S+ 0 0 94 -4,-2.2 3,-1.4 3,-0.2 -2,-0.2 0.916 106.7 55.4 -63.0 -37.5 -9.7 18.8 23.7 63 65 A A H 3<5S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.734 109.2 44.3 -70.8 -28.3 -13.5 17.9 23.7 64 66 A E T 3<5S- 0 0 100 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.300 114.1-119.4 -93.9 7.3 -13.0 15.1 21.1 65 67 A N T < 5 + 0 0 152 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.939 52.0 171.1 60.5 47.7 -9.9 14.0 23.0 66 68 A I < - 0 0 21 -5,-2.6 2,-0.7 -6,-0.1 -1,-0.2 -0.856 34.5-131.7-103.1 127.0 -7.7 14.6 19.9 67 69 A D + 0 0 112 -2,-0.5 -34,-0.3 98,-0.0 2,-0.3 -0.710 53.7 132.6 -71.9 105.1 -3.9 14.3 20.2 68 70 A V - 0 0 4 -2,-0.7 2,-0.3 -36,-0.1 -34,-0.2 -0.982 43.7-140.5-152.7 154.0 -2.6 17.4 18.6 69 71 A R E -b 34 0A 63 -36,-2.1 -34,-2.1 -2,-0.3 2,-0.4 -0.895 12.2-148.7-117.3 158.5 -0.1 20.2 19.3 70 72 A I E -bd 35 99A 0 28,-2.2 30,-2.6 -2,-0.3 2,-0.5 -0.976 9.9-169.1-127.9 131.5 -0.4 23.9 18.5 71 73 A I E -bd 36 100A 0 -36,-3.2 -34,-1.9 -2,-0.4 2,-0.6 -0.985 5.2-169.0-126.8 125.3 2.4 26.3 17.6 72 74 A S E -bd 37 101A 1 28,-2.8 30,-2.9 -2,-0.5 2,-0.5 -0.945 12.1-155.5-109.5 114.4 2.2 30.0 17.4 73 75 A F E -bd 38 102A 0 -36,-3.0 -34,-2.3 -2,-0.6 2,-0.2 -0.726 15.6-128.2 -88.7 129.9 5.2 31.7 15.8 74 76 A S E -b 39 0A 0 28,-1.8 -34,-0.2 -2,-0.5 36,-0.0 -0.490 15.3-167.2 -68.8 136.5 5.9 35.3 16.7 75 77 A V S S+ 0 0 8 -36,-2.7 -35,-0.2 1,-0.2 -1,-0.1 0.251 86.7 51.2-108.4 8.5 6.4 37.6 13.7 76 78 A D >> + 0 0 16 -37,-0.4 4,-2.7 48,-0.1 3,-1.0 -0.506 65.6 162.4-135.3 63.8 7.8 40.4 15.8 77 79 A P T 34 + 0 0 3 0, 0.0 27,-0.3 0, 0.0 28,-0.1 0.694 67.4 66.4 -61.9 -17.4 10.5 38.6 17.8 78 80 A E T 34 S+ 0 0 136 1,-0.2 3,-0.1 -3,-0.1 28,-0.0 0.860 117.3 25.7 -68.7 -38.6 12.3 41.8 18.8 79 81 A N T <4 S+ 0 0 64 -3,-1.0 2,-1.8 1,-0.2 5,-0.2 0.815 110.2 77.1 -88.7 -39.8 9.3 42.8 21.0 80 82 A D < + 0 0 0 -4,-2.7 24,-0.2 4,-0.1 -1,-0.2 -0.400 58.9 161.9 -80.7 75.8 7.9 39.4 21.7 81 83 A K > - 0 0 102 -2,-1.8 4,-2.6 -3,-0.1 3,-0.5 -0.247 59.7 -90.1 -82.4 166.2 10.2 37.8 24.3 82 84 A P H > S+ 0 0 38 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.873 128.9 51.6 -51.7 -37.1 9.0 34.8 26.4 83 85 A K H > S+ 0 0 124 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.863 109.7 48.0 -67.3 -44.4 7.5 37.2 29.1 84 86 A Q H > S+ 0 0 57 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.880 108.5 56.1 -61.4 -40.1 5.6 39.2 26.5 85 87 A L H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.875 109.0 47.3 -59.3 -41.4 4.4 35.9 25.0 86 88 A K H X S+ 0 0 102 -4,-2.0 4,-1.3 -5,-0.2 -2,-0.2 0.920 110.5 50.3 -63.4 -42.0 3.0 34.9 28.5 87 89 A K H < S+ 0 0 129 -4,-2.1 -2,-0.2 1,-0.2 4,-0.2 0.859 111.7 48.8 -70.9 -30.9 1.3 38.2 29.0 88 90 A F H >< S+ 0 0 22 -4,-2.1 3,-2.2 1,-0.2 -1,-0.2 0.935 109.2 51.3 -70.6 -48.6 -0.4 38.0 25.5 89 91 A A H >< S+ 0 0 4 -4,-2.1 3,-1.7 1,-0.3 5,-0.4 0.762 95.1 73.0 -59.2 -26.3 -1.6 34.5 26.1 90 92 A A T 3< S+ 0 0 77 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.598 84.1 68.4 -66.2 -13.7 -3.1 35.7 29.4 91 93 A N T < S+ 0 0 127 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.500 99.4 62.3 -82.9 -4.1 -5.8 37.6 27.4 92 94 A Y S < S- 0 0 38 -3,-1.7 2,-1.1 -4,-0.1 -40,-0.0 -0.934 82.7-123.6-125.3 144.5 -7.3 34.2 26.4 93 95 A P + 0 0 120 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.070 68.0 134.9 -76.5 43.7 -8.8 31.0 28.0 94 96 A L - 0 0 27 -2,-1.1 2,-0.4 -5,-0.4 -2,-0.1 -0.452 51.7-130.7 -96.6 157.5 -6.2 28.8 26.5 95 97 A S > - 0 0 34 -2,-0.1 3,-0.5 -40,-0.1 -1,-0.0 -0.922 2.6-153.5-101.5 137.2 -4.1 26.0 27.9 96 98 A F G > S+ 0 0 75 -2,-0.4 3,-0.8 1,-0.2 -1,-0.1 0.519 76.0 100.9 -81.4 -2.5 -0.2 25.7 27.4 97 99 A D G 3 S+ 0 0 142 1,-0.2 -1,-0.2 -28,-0.0 3,-0.0 0.826 104.9 4.0 -50.5 -38.2 -0.7 22.0 27.8 98 100 A N G < S+ 0 0 18 -3,-0.5 -28,-2.2 -29,-0.0 2,-0.4 -0.061 120.0 85.4-137.5 29.7 -0.4 21.4 24.0 99 101 A W E < -d 70 0A 0 -3,-0.8 2,-0.4 -30,-0.2 -28,-0.2 -0.981 50.6-173.7-135.5 125.5 0.3 24.9 22.8 100 102 A D E -d 71 0A 18 -30,-2.6 -28,-2.8 -2,-0.4 2,-0.5 -0.970 14.1-152.8-116.2 135.5 3.6 26.7 22.5 101 103 A F E -d 72 0A 0 -2,-0.4 -82,-0.3 -30,-0.2 2,-0.3 -0.937 27.6-150.9 -99.0 126.3 4.2 30.3 21.7 102 104 A L E +d 73 0A 0 -30,-2.9 -28,-1.8 -2,-0.5 2,-0.2 -0.720 30.9 139.7-113.2 146.7 7.7 30.6 20.1 103 105 A T B +G 17 0B 2 -86,-2.7 -86,-3.0 -2,-0.3 -22,-0.1 -0.742 22.5 115.0-151.1-163.9 10.4 33.4 19.8 104 106 A G + 0 0 13 1,-0.4 2,-0.3 -27,-0.3 -89,-0.1 0.925 64.8 87.2 88.6 58.9 14.2 33.4 20.0 105 107 A Y S S- 0 0 14 -28,-0.1 -1,-0.4 -89,-0.1 2,-0.2 -0.966 74.3 -99.0-171.5 158.7 15.1 34.5 16.5 106 108 A S > - 0 0 12 -2,-0.3 4,-2.0 1,-0.1 3,-0.3 -0.538 37.9-107.2 -84.9 165.2 15.6 37.5 14.4 107 109 A Q H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.917 120.6 53.8 -56.3 -44.7 13.1 39.1 12.0 108 110 A S H > S+ 0 0 75 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.868 106.6 51.5 -56.8 -42.3 15.1 37.8 9.1 109 111 A E H > S+ 0 0 18 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.942 112.4 43.5 -64.2 -52.8 15.1 34.2 10.4 110 112 A I H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.882 110.6 55.6 -64.5 -36.2 11.4 34.0 10.9 111 113 A E H X S+ 0 0 56 -4,-2.5 4,-2.5 1,-0.2 11,-0.2 0.941 113.2 41.9 -58.0 -49.9 10.6 35.7 7.5 112 114 A E H X S+ 0 0 70 -4,-1.8 4,-2.4 -5,-0.3 5,-0.3 0.918 113.6 51.6 -67.7 -34.5 12.7 33.2 5.6 113 115 A F H X S+ 0 0 11 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.937 111.8 47.9 -65.7 -45.2 11.4 30.2 7.7 114 116 A A H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 6,-1.8 0.863 111.9 48.8 -65.3 -41.6 7.9 31.2 7.0 115 117 A L H X S+ 0 0 105 -4,-2.5 4,-1.1 4,-0.2 -2,-0.2 0.944 118.6 39.2 -65.7 -46.5 8.4 31.7 3.2 116 118 A K H < S+ 0 0 64 -4,-2.4 -106,-0.3 -5,-0.2 -2,-0.2 0.944 123.3 36.5 -66.6 -47.0 10.1 28.3 2.8 117 119 A S H < S+ 0 0 0 -4,-2.4 29,-0.2 -5,-0.3 -3,-0.2 0.828 136.9 12.4 -75.5 -42.0 8.1 26.2 5.1 118 120 A F H < S- 0 0 4 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.1 0.374 91.3-120.1-123.8 -3.0 4.5 27.6 4.6 119 121 A K < + 0 0 118 -4,-1.1 2,-0.3 -5,-0.5 -4,-0.2 0.795 66.6 146.7 57.3 36.4 4.8 29.8 1.6 120 122 A A - 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