==== 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 TRANSFERASE 16-FEB-05 1YVO . COMPND 2 MOLECULE: CONSERVED HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR B.NOCEK,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL GENOMICS . 340 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15395.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 23.2 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 0.6 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-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 . 18 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 2 0 0 0 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 1 2 0 4 2 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 0 0 0 0 0 0 0 1 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 4 A S 0 0 94 0, 0.0 55,-3.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 128.4 11.6 56.0 1.5 2 5 A I E +A 55 0A 46 53,-0.2 2,-0.3 97,-0.1 53,-0.2 -0.938 360.0 148.9-105.5 124.9 14.6 57.2 3.7 3 6 A R E -A 54 0A 87 51,-2.0 51,-2.9 -2,-0.5 2,-0.1 -0.939 51.9 -76.2-146.0 166.3 17.1 59.4 1.9 4 7 A D E -A 53 0A 80 -2,-0.3 49,-0.3 49,-0.2 2,-0.1 -0.417 56.3-108.5 -62.9 139.5 19.6 62.2 2.5 5 8 A A - 0 0 16 47,-3.3 2,-0.3 -2,-0.1 47,-0.1 -0.448 33.8-161.6 -68.4 144.7 17.8 65.6 2.8 6 9 A G > - 0 0 27 -2,-0.1 3,-2.0 -3,-0.1 4,-0.4 -0.788 38.3 -97.5-116.5 169.4 18.3 68.1 0.0 7 10 A V G > S+ 0 0 101 -2,-0.3 3,-1.6 1,-0.3 -2,-0.0 0.846 122.2 64.7 -51.7 -35.5 17.7 71.9 0.0 8 11 A A G 3 S+ 0 0 91 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.718 95.3 59.7 -60.5 -23.7 14.2 71.2 -1.5 9 12 A D G <> S+ 0 0 7 -3,-2.0 4,-2.4 1,-0.2 3,-0.3 0.577 78.7 91.3 -82.3 -11.6 13.2 69.4 1.8 10 13 A L H <> S+ 0 0 4 -3,-1.6 4,-2.9 -4,-0.4 -1,-0.2 0.850 82.3 51.9 -59.7 -39.0 13.8 72.4 4.0 11 14 A P H > S+ 0 0 74 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.912 113.0 46.8 -62.3 -39.1 10.2 73.8 3.8 12 15 A G H > S+ 0 0 26 -4,-0.3 4,-1.7 -3,-0.3 -2,-0.2 0.900 114.5 46.8 -64.0 -43.6 8.9 70.4 4.9 13 16 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.876 109.7 54.7 -63.2 -41.2 11.5 70.2 7.7 14 17 A L H X S+ 0 0 32 -4,-2.9 4,-3.0 -5,-0.2 5,-0.2 0.921 106.7 50.3 -59.4 -46.0 10.7 73.7 8.8 15 18 A A H X S+ 0 0 52 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.909 113.2 45.4 -61.5 -45.0 7.0 72.9 9.2 16 19 A I H X S+ 0 0 6 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.933 113.3 49.8 -63.6 -47.9 7.8 69.8 11.3 17 20 A Y H X S+ 0 0 16 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.945 113.1 46.2 -54.9 -52.2 10.3 71.7 13.4 18 21 A N H X S+ 0 0 41 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.866 109.5 54.8 -62.8 -37.6 7.9 74.6 14.1 19 22 A D H X S+ 0 0 74 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.929 110.4 46.5 -55.2 -47.7 5.1 72.1 14.9 20 23 A A H X S+ 0 0 9 -4,-2.3 4,-1.6 2,-0.2 7,-0.5 0.867 110.4 52.8 -66.5 -39.1 7.3 70.5 17.5 21 24 A V H < S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.913 118.1 37.2 -56.4 -46.8 8.3 73.9 18.9 22 25 A G H < S+ 0 0 41 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.864 129.6 24.3 -76.6 -38.1 4.7 74.9 19.3 23 26 A N H < S+ 0 0 112 -4,-2.6 2,-0.3 -5,-0.2 -3,-0.2 0.460 111.4 45.7-116.9 -4.6 3.0 71.6 20.4 24 27 A T < - 0 0 52 -4,-1.6 3,-0.3 -5,-0.2 0, 0.0 -0.836 66.7-123.0-137.2 170.1 5.5 69.3 22.0 25 28 A T S S+ 0 0 19 -2,-0.3 96,-0.3 1,-0.2 3,-0.1 0.106 85.7 101.7 -95.3 18.4 8.3 68.9 24.5 26 29 A A S S+ 0 0 49 -6,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.796 88.0 31.9 -73.9 -28.7 10.5 67.5 21.7 27 30 A I S S- 0 0 5 -7,-0.5 2,-1.2 -3,-0.3 -1,-0.2 -0.999 75.9-145.0-128.4 124.7 12.4 70.8 21.3 28 31 A W S S+ 0 0 12 -2,-0.4 220,-2.4 -3,-0.1 2,-0.4 -0.347 70.7 101.5 -90.9 54.5 12.9 73.0 24.4 29 32 A N - 0 0 17 -2,-1.2 -2,-0.2 218,-0.2 -3,-0.0 -0.983 51.3-168.6-126.9 140.0 12.5 76.2 22.4 30 33 A E + 0 0 71 -2,-0.4 -1,-0.1 2,-0.1 -2,-0.0 0.488 63.1 85.0-106.8 -5.7 9.3 78.1 22.5 31 34 A T S S- 0 0 76 1,-0.0 -9,-0.0 0, 0.0 -10,-0.0 -0.869 76.0-127.8-107.1 125.4 9.9 80.5 19.6 32 35 A P - 0 0 95 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.268 25.2-139.7 -65.1 149.9 9.2 79.5 16.0 33 36 A V - 0 0 25 -19,-0.2 2,-0.2 1,-0.0 -15,-0.1 -0.676 6.3-121.6-110.3 166.1 12.0 79.9 13.4 34 37 A D >> - 0 0 101 -2,-0.2 4,-1.4 1,-0.1 3,-0.6 -0.500 36.8 -97.9 -96.9 173.2 12.1 81.0 9.8 35 38 A L H 3> S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.857 122.3 60.5 -59.1 -37.4 13.4 79.1 6.8 36 39 A A H 3> S+ 0 0 57 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.833 100.2 55.8 -60.1 -36.4 16.8 80.9 7.0 37 40 A N H <> S+ 0 0 62 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.937 111.7 41.6 -61.3 -49.0 17.2 79.4 10.5 38 41 A R H X S+ 0 0 28 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.834 110.8 58.3 -68.8 -32.1 16.8 75.9 9.2 39 42 A Q H X S+ 0 0 87 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.915 108.1 45.9 -60.5 -43.5 18.9 76.7 6.2 40 43 A A H X S+ 0 0 56 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.893 112.3 50.9 -67.0 -39.4 21.8 77.7 8.5 41 44 A W H X S+ 0 0 36 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.917 111.0 49.2 -62.6 -43.6 21.3 74.5 10.5 42 45 A F H X S+ 0 0 29 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.921 111.8 48.0 -61.3 -47.7 21.3 72.5 7.3 43 46 A D H X S+ 0 0 92 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.877 109.4 53.3 -63.9 -37.5 24.6 74.1 6.1 44 47 A T H X S+ 0 0 48 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.926 110.9 46.2 -64.1 -44.1 26.3 73.6 9.5 45 48 A R H X>S+ 0 0 46 -4,-2.0 5,-2.2 2,-0.2 4,-1.0 0.915 112.3 50.6 -62.7 -45.9 25.5 69.9 9.5 46 49 A A H ><5S+ 0 0 62 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.909 111.0 48.8 -56.7 -45.2 26.7 69.5 5.9 47 50 A R H 3<5S+ 0 0 184 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.764 111.2 50.1 -68.9 -27.2 29.9 71.3 6.7 48 51 A Q H 3<5S- 0 0 89 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.608 112.9-120.1 -84.1 -13.8 30.4 69.0 9.7 49 52 A G T <<5 + 0 0 40 -4,-1.0 -3,-0.2 -3,-0.6 -2,-0.1 0.648 65.9 140.8 82.5 17.0 29.8 65.9 7.6 50 53 A Y < - 0 0 33 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.696 51.1-111.5 -93.4 145.5 26.8 64.9 9.7 51 54 A P - 0 0 8 0, 0.0 17,-1.0 0, 0.0 2,-0.4 -0.397 20.8-167.7 -80.0 149.4 23.7 63.4 8.1 52 55 A I E - B 0 67A 11 15,-0.2 -47,-3.3 -47,-0.1 2,-0.3 -0.979 20.6-170.7-123.8 119.3 20.2 64.9 7.7 53 56 A L E -AB 4 66A 2 13,-3.4 13,-2.2 -2,-0.4 2,-0.4 -0.817 7.6-155.4-112.5 151.1 17.8 62.2 6.6 54 57 A V E -AB 3 65A 0 -51,-2.9 -51,-2.0 -2,-0.3 2,-0.7 -0.964 16.6-138.2-125.5 139.9 14.2 62.5 5.5 55 58 A A E +AB 2 64A 1 9,-2.8 8,-2.9 -2,-0.4 9,-1.0 -0.918 49.3 159.0 -89.0 119.4 11.4 60.0 5.5 56 59 A S E - B 0 62A 2 -55,-3.6 2,-0.2 -2,-0.7 6,-0.2 -0.932 39.7-128.9-141.5 157.7 9.8 60.8 2.1 57 60 A D > - 0 0 53 4,-0.7 3,-0.5 -2,-0.3 6,-0.0 -0.506 46.1 -93.2 -95.9 179.0 7.6 59.4 -0.7 58 61 A A T 3 S+ 0 0 115 1,-0.2 -1,-0.0 -2,-0.2 -2,-0.0 0.781 127.5 57.4 -64.1 -27.4 8.6 59.4 -4.4 59 62 A A T 3 S- 0 0 94 2,-0.1 -1,-0.2 1,-0.0 -3,-0.0 0.793 116.1-118.6 -71.5 -31.7 6.8 62.7 -4.9 60 63 A G < + 0 0 27 -3,-0.5 2,-0.3 1,-0.3 -2,-0.1 0.559 56.3 151.9 110.0 12.6 9.1 64.2 -2.2 61 64 A E - 0 0 97 1,-0.1 -4,-0.7 -49,-0.0 2,-0.6 -0.599 48.9-116.5 -81.1 133.1 6.9 65.4 0.7 62 65 A V E +B 56 0A 9 -2,-0.3 -6,-0.2 1,-0.2 3,-0.1 -0.537 37.2 169.9 -77.3 111.1 8.6 65.3 4.1 63 66 A L E - 0 0 23 -8,-2.9 25,-2.7 -2,-0.6 2,-0.3 0.582 69.5 -28.6 -94.2 -12.3 7.0 62.9 6.5 64 67 A G E -BC 55 87A 0 -9,-1.0 -9,-2.8 23,-0.3 -1,-0.3 -0.929 59.0-147.2 172.9 166.5 9.8 63.1 9.1 65 68 A Y E -BC 54 86A 4 21,-2.7 21,-2.9 -2,-0.3 2,-0.3 -0.970 5.1-165.9-151.7 166.5 13.4 63.8 9.5 66 69 A A E +BC 53 85A 0 -13,-2.2 -13,-3.4 -2,-0.3 2,-0.3 -0.991 12.2 160.2-156.0 148.1 16.4 62.8 11.6 67 70 A S E -BC 52 84A 2 17,-2.0 17,-2.5 -2,-0.3 2,-0.3 -0.962 19.2-147.0-156.6 166.7 19.9 64.1 12.2 68 71 A Y E + C 0 83A 0 -17,-1.0 15,-0.3 -2,-0.3 2,-0.2 -0.982 19.2 163.9-140.9 159.9 22.8 63.9 14.6 69 72 A G E - C 0 82A 1 13,-2.2 13,-2.3 -2,-0.3 -24,-0.0 -0.764 48.4 -36.5-150.4-168.2 25.5 66.4 15.7 70 73 A D E - C 0 81A 89 -2,-0.2 11,-0.2 11,-0.2 -1,-0.1 -0.315 39.1-164.8 -61.8 142.5 28.1 67.0 18.4 71 74 A W S S+ 0 0 26 9,-0.8 -1,-0.1 1,-0.4 10,-0.1 0.863 78.3 9.4 -90.8 -53.8 27.1 66.1 21.9 72 75 A R S S- 0 0 29 8,-0.3 2,-2.0 2,-0.2 -1,-0.4 -0.990 78.8-120.3-129.4 140.7 29.8 68.0 23.8 73 76 A P S S+ 0 0 112 0, 0.0 2,-0.4 0, 0.0 3,-0.0 -0.292 76.4 101.1 -80.6 53.2 32.2 70.5 22.3 74 77 A F S > S- 0 0 66 -2,-2.0 3,-2.1 1,-0.1 -2,-0.2 -0.992 76.2-125.7-136.1 144.3 35.5 68.8 23.2 75 78 A E G > S+ 0 0 65 -2,-0.4 3,-1.6 1,-0.3 126,-0.2 0.782 107.7 68.8 -58.0 -28.5 37.8 66.7 21.0 76 79 A G G 3 S+ 0 0 3 124,-2.5 243,-1.3 1,-0.3 3,-0.3 0.636 96.2 54.3 -65.4 -15.2 37.5 63.8 23.6 77 80 A F G X S+ 0 0 7 -3,-2.1 3,-2.6 123,-0.2 -6,-0.3 0.206 70.2 116.0-102.5 14.0 33.9 63.4 22.7 78 81 A R T < S+ 0 0 125 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.733 73.2 56.0 -61.2 -24.3 34.5 62.9 18.9 79 82 A G T 3 S+ 0 0 6 -3,-0.3 35,-2.6 238,-0.2 36,-2.2 0.492 99.9 77.1 -81.0 -3.0 33.2 59.3 19.1 80 83 A T E < + d 0 115A 2 -3,-2.6 -9,-0.8 237,-0.2 2,-0.3 -0.914 55.6 177.3-119.0 129.5 29.9 60.5 20.5 81 84 A V E -Cd 70 116A 0 34,-2.3 36,-2.7 -2,-0.4 2,-0.5 -0.917 22.2-138.0-124.9 156.4 27.0 62.1 18.8 82 85 A E E -Cd 69 117A 28 -13,-2.3 -13,-2.2 -2,-0.3 36,-0.2 -0.972 26.0-161.1-111.7 126.9 23.5 63.3 19.9 83 86 A H E -C 68 0A 7 34,-1.8 36,-0.5 -2,-0.5 2,-0.3 -0.553 11.0-161.2-101.1 164.3 20.6 62.6 17.5 84 87 A S E -C 67 0A 36 -17,-2.5 -17,-2.0 -2,-0.2 2,-0.4 -0.985 3.1-168.8-138.8 146.6 17.1 63.9 17.0 85 88 A V E -C 66 0A 32 -2,-0.3 2,-0.4 -19,-0.2 -19,-0.2 -0.997 5.8-176.6-134.8 128.7 14.2 62.2 15.2 86 89 A Y E -C 65 0A 35 -21,-2.9 -21,-2.7 -2,-0.4 2,-0.4 -0.998 5.8-166.3-128.9 130.7 10.9 64.1 14.3 87 90 A V E -C 64 0A 40 -2,-0.4 -23,-0.3 -23,-0.3 5,-0.1 -0.947 34.7-103.0-115.7 136.9 7.9 62.6 12.6 88 91 A R > - 0 0 74 -25,-2.7 3,-2.5 -2,-0.4 4,-0.2 -0.295 33.5-118.7 -57.3 139.6 5.1 64.7 11.2 89 92 A D G > S+ 0 0 103 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.792 113.2 50.9 -56.1 -34.4 2.1 64.8 13.5 90 93 A D G 3 S+ 0 0 86 1,-0.2 -1,-0.3 -27,-0.0 -2,-0.1 0.411 106.3 58.9 -81.9 0.8 -0.3 63.2 11.0 91 94 A Q G X S+ 0 0 31 -3,-2.5 3,-0.5 -28,-0.1 5,-0.4 0.256 75.2 129.5-116.2 8.1 2.2 60.4 10.4 92 95 A R T < + 0 0 156 -3,-0.8 -3,-0.0 1,-0.2 -4,-0.0 -0.161 63.6 27.3 -61.5 157.5 2.5 58.9 13.9 93 96 A G T 3 S+ 0 0 88 1,-0.1 -1,-0.2 2,-0.0 0, 0.0 0.801 89.5 106.4 58.9 33.6 2.2 55.2 14.6 94 97 A K S < S- 0 0 127 -3,-0.5 -2,-0.1 0, 0.0 -1,-0.1 0.242 95.4-104.9-123.1 10.7 3.4 54.2 11.2 95 98 A G S > S+ 0 0 44 3,-0.0 4,-2.3 1,-0.0 5,-0.1 0.501 85.3 124.1 79.5 4.9 6.9 52.9 12.0 96 99 A L H > + 0 0 18 -5,-0.4 4,-2.7 2,-0.2 5,-0.2 0.855 69.7 56.3 -65.9 -37.6 8.6 56.0 10.6 97 100 A G H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.963 110.1 43.7 -55.5 -56.2 10.3 56.6 13.9 98 101 A V H > S+ 0 0 33 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.926 113.8 52.7 -53.9 -49.0 11.9 53.2 13.9 99 102 A Q H X S+ 0 0 80 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.915 112.6 42.9 -51.7 -53.5 12.8 53.5 10.2 100 103 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.904 115.7 47.3 -64.8 -46.1 14.6 56.9 10.6 101 104 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.934 111.1 51.7 -64.2 -45.6 16.5 55.9 13.8 102 105 A Q H X S+ 0 0 120 -4,-3.0 4,-2.1 -5,-0.3 -1,-0.2 0.913 111.9 47.6 -52.8 -45.6 17.6 52.6 12.2 103 106 A A H X S+ 0 0 18 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.902 111.3 49.8 -65.8 -42.2 18.9 54.5 9.2 104 107 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.887 109.4 52.5 -62.3 -40.5 20.7 57.1 11.3 105 108 A I H X S+ 0 0 13 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.924 107.7 51.0 -61.9 -44.8 22.3 54.3 13.3 106 109 A E H X S+ 0 0 135 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.896 111.3 48.9 -58.9 -42.1 23.6 52.6 10.1 107 110 A R H X S+ 0 0 84 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.910 109.8 50.6 -65.7 -44.1 25.1 56.0 9.0 108 111 A A H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 -2,-0.2 0.911 111.3 49.5 -60.7 -43.7 26.7 56.5 12.4 109 112 A R H ><5S+ 0 0 127 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.934 108.9 51.4 -57.6 -50.2 28.2 53.0 12.2 110 113 A A H 3<5S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.823 107.7 53.9 -59.0 -33.2 29.5 53.7 8.6 111 114 A Q T 3<5S- 0 0 89 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.374 117.2-116.6 -82.8 2.6 31.1 56.9 9.9 112 115 A G T < 5 + 0 0 48 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.805 57.7 159.0 68.1 31.1 32.9 54.9 12.6 113 116 A L < - 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