==== 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 BIOSYNTHETIC PROTEIN 23-MAR-07 2EKN . COMPND 2 MOLECULE: PROBABLE MOLYBDENUM COFACTOR BIOSYNTHESIS PROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR N.K.LOKANATH,K.J.PAMPA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 435 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 307 70.6 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 . 116 26.7 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 . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 27 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 0 0 0 1 2 0 0 0 0 0 0 0 0 0 3 0 0 0 3 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 0 0 0 0 0 0 4 2 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 12 A G 0 0 56 0, 0.0 332,-2.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 165.8 111.1 52.5 2.3 2 13 A V B -A 332 0A 12 330,-0.3 2,-0.4 218,-0.2 218,-0.3 -0.947 360.0-157.5-132.1 152.5 109.8 55.0 4.9 3 14 A K - 0 0 115 328,-3.6 216,-0.1 -2,-0.3 61,-0.0 -0.879 10.7-148.4-137.8 105.0 111.0 55.9 8.3 4 15 A M - 0 0 5 214,-0.6 2,-0.5 -2,-0.4 61,-0.1 -0.320 28.7-110.1 -66.2 152.3 108.7 57.5 10.9 5 16 A V - 0 0 72 59,-0.4 2,-0.2 212,-0.1 -1,-0.1 -0.744 22.3-130.3 -92.9 129.0 110.3 59.9 13.3 6 17 A E + 0 0 36 -2,-0.5 211,-0.2 1,-0.1 210,-0.0 -0.543 32.6 165.2 -74.0 135.8 110.7 59.0 17.0 7 18 A I > + 0 0 2 209,-1.6 3,-1.7 -2,-0.2 -1,-0.1 0.447 41.6 104.4-130.3 -5.4 109.4 61.7 19.4 8 19 A G T 3 S+ 0 0 3 208,-0.3 209,-0.1 1,-0.3 -2,-0.0 0.777 81.1 50.4 -50.0 -36.9 109.1 60.0 22.8 9 20 A Y T 3 S+ 0 0 165 207,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.593 89.2 103.8 -81.8 -10.8 112.2 61.5 24.3 10 21 A K S < S- 0 0 67 -3,-1.7 2,-0.1 1,-0.1 85,-0.1 -0.284 78.4 -99.7 -71.9 157.3 111.3 65.1 23.4 11 22 A D - 0 0 104 84,-0.1 2,-0.7 1,-0.1 -1,-0.1 -0.429 29.1-115.5 -77.1 152.2 109.9 67.6 25.9 12 23 A V + 0 0 88 -2,-0.1 2,-0.3 83,-0.1 83,-0.2 -0.788 51.9 160.6 -87.0 113.6 106.2 68.3 26.3 13 24 A V E -B 94 0B 9 81,-2.1 81,-1.9 -2,-0.7 2,-0.2 -0.899 47.4 -86.4-133.5 162.8 105.9 72.0 25.3 14 25 A F E -BC 93 144B 48 130,-1.9 130,-2.7 -2,-0.3 2,-0.4 -0.521 48.1-170.8 -69.4 132.8 103.1 74.3 24.2 15 26 A R E +BC 92 143B 5 77,-3.3 77,-2.1 -2,-0.2 2,-0.4 -0.992 11.2 175.1-132.0 134.7 102.7 74.1 20.4 16 27 A K E -BC 91 142B 49 126,-2.0 126,-4.3 -2,-0.4 2,-0.4 -1.000 3.6-177.1-139.2 137.7 100.7 76.3 18.1 17 28 A A E -BC 90 141B 0 73,-2.3 73,-2.6 -2,-0.4 2,-0.5 -0.997 6.8-164.3-135.5 139.4 100.4 76.4 14.3 18 29 A V E -BC 89 140B 10 122,-2.4 121,-2.5 -2,-0.4 122,-1.5 -0.993 11.3-179.7-125.8 125.1 98.4 78.7 12.1 19 30 A A E -BC 88 138B 0 69,-2.4 69,-2.9 -2,-0.5 2,-0.3 -0.929 5.1-167.0-124.5 150.5 97.7 77.8 8.5 20 31 A K E +BC 87 137B 51 117,-2.6 117,-2.9 -2,-0.3 2,-0.3 -0.949 12.8 159.4-134.2 155.4 95.8 79.8 5.8 21 32 A G E -B 86 0B 0 65,-1.8 65,-2.8 -2,-0.3 2,-0.3 -0.963 19.7-144.2-165.0 162.0 94.5 78.9 2.4 22 33 A R E -BC 85 134B 45 112,-2.5 112,-3.1 -2,-0.3 2,-0.5 -0.967 6.7-144.1-139.6 156.5 91.9 80.3 0.0 23 34 A I E -BC 84 133B 0 61,-2.0 61,-1.5 -2,-0.3 2,-0.4 -0.983 21.4-136.9-119.9 123.3 89.4 79.1 -2.5 24 35 A K E +BC 83 132B 41 108,-3.6 108,-1.1 -2,-0.5 2,-0.3 -0.652 34.5 169.7 -78.7 132.5 88.8 81.3 -5.6 25 36 A L - 0 0 6 57,-2.1 106,-0.1 -2,-0.4 96,-0.0 -0.894 41.6 -83.3-139.3 166.7 85.1 81.6 -6.4 26 37 A K > - 0 0 51 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.417 43.3-120.7 -66.9 148.4 82.7 83.6 -8.7 27 38 A P H > S+ 0 0 60 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.909 113.8 54.1 -59.5 -40.3 81.9 86.9 -7.1 28 39 A E H > S+ 0 0 119 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.877 106.5 52.0 -60.9 -38.8 78.2 86.1 -7.0 29 40 A T H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.935 107.2 52.2 -62.7 -46.1 78.9 82.8 -5.2 30 41 A V H X S+ 0 0 5 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.906 112.3 46.8 -56.0 -42.6 80.9 84.8 -2.6 31 42 A K H X S+ 0 0 96 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.942 110.2 51.5 -64.9 -49.4 77.8 87.0 -2.2 32 43 A L H X>S+ 0 0 26 -4,-3.0 5,-3.2 1,-0.2 4,-0.6 0.914 114.3 43.9 -54.1 -46.5 75.4 84.1 -2.0 33 44 A I H ><5S+ 0 0 11 -4,-2.9 3,-1.5 3,-0.2 -1,-0.2 0.950 111.0 54.0 -63.4 -49.5 77.5 82.5 0.8 34 45 A K H 3<5S+ 0 0 131 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.815 115.2 40.9 -55.0 -32.6 78.0 85.8 2.6 35 46 A E H 3<5S- 0 0 133 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.467 113.4-118.1 -95.5 -3.8 74.2 86.3 2.6 36 47 A G T <<5S+ 0 0 64 -3,-1.5 -3,-0.2 -4,-0.6 -2,-0.1 0.914 71.8 133.1 68.2 43.3 73.5 82.6 3.4 37 48 A K < + 0 0 135 -5,-3.2 2,-0.8 -6,-0.1 -4,-0.2 0.135 23.5 122.7-110.8 18.2 71.6 82.0 0.3 38 49 A I > - 0 0 10 -6,-0.4 3,-1.6 3,-0.3 5,-0.1 -0.743 52.9-151.7 -84.3 113.8 73.2 78.7 -0.7 39 50 A E T 3 S+ 0 0 102 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.886 89.0 65.0 -49.9 -48.6 70.5 76.1 -1.0 40 51 A K T 3 S- 0 0 24 76,-0.3 254,-1.1 1,-0.1 2,-0.3 0.720 114.9 -90.5 -51.8 -26.4 72.7 73.2 -0.2 41 52 A G < - 0 0 13 -3,-1.6 2,-1.3 252,-0.2 -3,-0.3 -0.934 64.4 -20.9 148.5-171.8 73.2 74.5 3.3 42 53 A N > - 0 0 99 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.632 54.4-169.1 -76.8 95.9 75.2 76.7 5.8 43 54 A V H > S+ 0 0 5 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.929 78.3 42.9 -53.2 -57.5 78.5 76.9 3.9 44 55 A L H > S+ 0 0 37 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.862 114.6 48.4 -63.5 -39.2 80.7 78.4 6.6 45 56 A A H > S+ 0 0 37 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 112.0 50.7 -68.3 -39.8 79.5 76.3 9.5 46 57 A T H X S+ 0 0 16 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.916 110.9 48.9 -62.4 -42.7 79.9 73.1 7.4 47 58 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.872 109.9 51.0 -65.6 -39.1 83.5 74.1 6.5 48 59 A Q H X S+ 0 0 69 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.927 113.0 45.2 -64.7 -45.2 84.4 74.8 10.2 49 60 A I H X S+ 0 0 94 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.914 113.6 49.6 -65.3 -42.7 83.1 71.4 11.3 50 61 A A H X S+ 0 0 2 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.901 113.4 46.9 -62.9 -42.0 84.7 69.6 8.5 51 62 A G H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.909 112.0 48.9 -67.3 -43.0 88.0 71.3 9.2 52 63 A I H X S+ 0 0 55 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.923 114.0 45.9 -64.0 -43.2 87.9 70.7 13.0 53 64 A L H X S+ 0 0 82 -4,-2.5 4,-0.8 1,-0.2 3,-0.2 0.915 110.1 55.6 -64.4 -40.6 87.1 67.0 12.4 54 65 A A H >X S+ 0 0 0 -4,-2.2 3,-0.7 -5,-0.2 4,-0.5 0.854 99.7 59.4 -60.8 -36.8 89.8 66.8 9.8 55 66 A V H >< S+ 0 0 1 -4,-1.9 3,-1.2 1,-0.3 -1,-0.2 0.933 106.3 48.3 -58.2 -43.9 92.4 68.1 12.3 56 67 A K H 3< S+ 0 0 124 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.657 110.4 51.8 -71.9 -15.1 91.6 65.2 14.5 57 68 A R H XX S+ 0 0 56 -4,-0.8 4,-1.7 -3,-0.7 3,-1.5 0.388 76.3 106.1-100.9 3.2 92.0 62.7 11.6 58 69 A T H < S- 0 0 0 -4,-3.2 3,-2.3 -5,-0.2 -1,-0.2 -0.863 80.2-144.6 -98.6 106.4 99.1 61.5 6.8 63 74 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -59,-0.1 0.754 92.1 37.1 -35.8 -50.3 101.0 58.2 7.1 64 75 A L T 3 S+ 0 0 2 339,-0.1 -59,-0.4 -3,-0.1 2,-0.2 0.228 88.3 113.0 -99.3 17.1 103.9 59.3 9.3 65 76 A C < - 0 0 6 -3,-2.3 -61,-0.0 -7,-0.2 3,-0.0 -0.543 61.6-127.5 -83.8 154.0 102.0 61.8 11.6 66 77 A H - 0 0 11 -2,-0.2 2,-0.3 1,-0.1 150,-0.1 -0.657 24.5 -99.5-100.8 157.0 101.7 60.9 15.2 67 78 A P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 -11,-0.0 -0.597 48.4-167.9 -72.7 133.3 98.5 60.8 17.4 68 79 A I - 0 0 28 -2,-0.3 2,-2.2 -12,-0.1 26,-0.1 -0.982 30.2-123.9-130.4 137.9 98.5 64.1 19.3 69 80 A P - 0 0 70 0, 0.0 24,-0.6 0, 0.0 2,-0.0 -0.501 37.2-159.0 -78.5 76.2 96.3 65.3 22.2 70 81 A I E -D 92 0B 42 -2,-2.2 22,-0.2 1,-0.1 3,-0.1 -0.338 14.1-173.7 -57.1 131.1 95.0 68.4 20.5 71 82 A T E + 0 0 88 20,-2.1 2,-0.3 1,-0.3 21,-0.2 0.587 61.8 8.3-105.7 -13.2 93.8 70.9 23.0 72 83 A G E -D 91 0B 13 19,-1.3 19,-2.4 2,-0.0 2,-0.3 -0.948 49.5-174.1-169.4 145.8 92.2 73.5 20.7 73 84 A V E -D 90 0B 28 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.984 5.3-175.1-145.9 130.2 91.2 74.4 17.2 74 85 A D E -D 89 0B 77 15,-2.4 15,-2.9 -2,-0.3 2,-0.5 -0.996 1.7-173.0-128.1 129.4 89.9 77.6 15.7 75 86 A I E +D 88 0B 7 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.987 13.4 171.1-125.8 122.2 88.8 78.0 12.1 76 87 A T E -D 87 0B 75 11,-2.2 11,-2.5 -2,-0.5 2,-0.3 -0.843 18.7-136.2-127.9 164.0 87.9 81.5 10.9 77 88 A F E -D 86 0B 34 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.897 8.0-165.3-126.2 152.8 87.0 83.1 7.5 78 89 A D E -D 85 0B 80 7,-1.9 7,-3.3 -2,-0.3 2,-0.4 -0.999 21.3-136.7-133.8 131.7 87.9 86.3 5.6 79 90 A F E -D 84 0B 67 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.757 20.4-178.3 -96.3 134.9 85.9 87.4 2.5 80 91 A G - 0 0 12 3,-3.0 3,-0.4 -2,-0.4 -2,-0.0 -0.657 44.5 -99.9-117.0 176.1 87.4 88.7 -0.7 81 92 A E S S+ 0 0 129 -2,-0.2 -51,-0.2 1,-0.2 -50,-0.2 0.892 121.2 8.9 -65.2 -38.4 85.7 90.0 -3.8 82 93 A D S S+ 0 0 64 -52,-0.1 -57,-2.1 -53,-0.1 2,-0.3 -0.104 128.8 44.6-134.3 35.9 86.2 86.6 -5.5 83 94 A Y E -B 24 0B 57 -3,-0.4 -3,-3.0 -59,-0.3 2,-0.4 -0.987 59.5-136.1-168.1 165.4 87.5 84.3 -2.8 84 95 A I E -BD 23 79B 0 -61,-1.5 -61,-2.0 -2,-0.3 2,-0.5 -0.998 20.9-150.8-131.7 126.2 87.2 83.1 0.8 85 96 A E E -BD 22 78B 24 -7,-3.3 -7,-1.9 -2,-0.4 2,-0.4 -0.878 8.3-157.7-103.7 129.0 90.2 82.7 3.0 86 97 A V E -BD 21 77B 0 -65,-2.8 -65,-1.8 -2,-0.5 2,-0.4 -0.863 3.6-164.6-106.6 137.9 90.2 80.1 5.7 87 98 A T E -BD 20 76B 13 -11,-2.5 -11,-2.2 -2,-0.4 2,-0.5 -0.983 3.0-169.0-121.7 129.9 92.5 80.3 8.7 88 99 A C E -BD 19 75B 0 -69,-2.9 -69,-2.4 -2,-0.4 2,-0.5 -0.975 1.3-171.4-124.0 119.3 93.1 77.2 11.0 89 100 A E E -BD 18 74B 48 -15,-2.9 -15,-2.4 -2,-0.5 2,-0.4 -0.948 6.3-173.5-111.3 124.5 94.8 77.5 14.3 90 101 A V E -BD 17 73B 0 -73,-2.6 -73,-2.3 -2,-0.5 2,-0.3 -0.925 1.9-173.4-117.5 142.1 95.7 74.3 16.1 91 102 A R E +BD 16 72B 56 -19,-2.4 -20,-2.1 -2,-0.4 -19,-1.3 -0.950 11.8 150.8-134.7 155.4 97.2 74.1 19.6 92 103 A A E -BD 15 70B 0 -77,-2.1 -77,-3.3 -2,-0.3 2,-0.6 -0.966 42.3-123.7-171.5 161.9 98.5 71.3 21.9 93 104 A Y E +B 14 0B 137 -24,-0.6 2,-0.3 -2,-0.3 -79,-0.2 -0.912 68.2 110.5-115.6 96.0 101.0 70.6 24.7 94 105 A Y E S-B 13 0B 18 -81,-1.9 -81,-2.1 -2,-0.6 -2,-0.1 -0.852 77.8 -88.7-154.0-170.0 103.1 67.9 23.2 95 106 A K S S+ 0 0 28 -2,-0.3 2,-0.3 -83,-0.2 -85,-0.1 0.307 103.3 39.0 -96.1 5.1 106.3 66.5 21.7 96 107 A T S S- 0 0 15 -83,-0.2 -1,-0.1 -86,-0.1 -81,-0.1 -0.943 87.2-103.0-162.0 139.1 105.7 67.4 18.1 97 108 A G - 0 0 3 -2,-0.3 3,-0.2 1,-0.1 4,-0.1 0.202 16.1-131.4 -66.9 174.5 104.2 70.4 16.4 98 109 A V > + 0 0 0 44,-0.2 4,-2.3 -8,-0.2 3,-0.2 0.247 67.7 111.1-116.0 20.5 100.9 70.9 14.9 99 110 A E H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.837 81.0 51.0 -57.8 -35.5 101.5 72.4 11.5 100 111 A M H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.866 110.7 51.1 -70.3 -32.6 100.4 69.4 9.5 101 112 A E H > S+ 0 0 7 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.892 110.6 48.8 -68.6 -39.4 97.2 69.3 11.6 102 113 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.910 111.8 48.3 -67.0 -41.9 96.7 73.0 10.8 103 114 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.888 111.1 51.0 -65.3 -39.2 97.2 72.5 7.1 104 115 A T H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.914 110.5 48.7 -65.0 -43.3 94.9 69.5 7.0 105 116 A G H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.914 113.0 47.8 -63.1 -43.4 92.1 71.5 8.8 106 117 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.940 113.9 46.4 -62.6 -48.8 92.5 74.4 6.4 107 118 A T H X S+ 0 0 4 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.896 113.1 47.0 -64.8 -41.6 92.5 72.2 3.3 108 119 A V H X S+ 0 0 5 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.873 110.1 54.1 -69.5 -34.0 89.5 70.1 4.3 109 120 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.908 110.8 47.0 -63.8 -39.5 87.6 73.3 5.2 110 121 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.888 111.0 50.5 -69.1 -38.4 88.3 74.6 1.7 111 122 A L H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.880 108.7 53.9 -65.4 -36.8 87.2 71.3 0.1 112 123 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.892 107.2 49.7 -64.7 -41.9 84.0 71.5 2.2 113 124 A I H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.958 110.4 51.3 -61.1 -48.3 83.3 75.0 0.8 114 125 A W H >X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 3,-0.6 0.930 110.1 48.7 -53.4 -50.7 83.9 73.7 -2.7 115 126 A D H >< S+ 0 0 2 -4,-2.6 3,-0.7 1,-0.2 4,-0.3 0.894 110.0 52.6 -58.2 -41.5 81.5 70.8 -2.2 116 127 A M H 3< S+ 0 0 1 -4,-2.2 -76,-0.3 1,-0.2 -1,-0.2 0.746 118.5 34.7 -68.0 -25.8 78.8 73.1 -0.8 117 128 A V H XX S+ 0 0 0 -4,-1.6 4,-1.8 -3,-0.6 3,-0.9 0.256 79.4 112.4-113.8 12.8 78.9 75.5 -3.7 118 129 A K H - 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