==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-OCT-06 2IMG . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN PHOSPHATASE 23; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.AGARWAL,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH . 149 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7174.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 6 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 36.2 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+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 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 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 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 2 A G 0 0 75 0, 0.0 2,-0.4 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 145.1 22.1 18.9 26.0 2 3 A V - 0 0 76 23,-2.7 27,-0.3 21,-0.1 28,-0.2 -0.961 360.0-117.1-130.7 116.9 22.2 19.5 22.3 3 4 A Q - 0 0 111 -2,-0.4 23,-0.1 26,-0.1 3,-0.1 -0.211 35.0-120.5 -50.5 127.8 19.4 21.1 20.3 4 5 A P > - 0 0 1 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.339 41.1 -82.1 -68.8 153.7 18.0 18.6 17.7 5 6 A P T 3 S+ 0 0 52 0, 0.0 14,-3.1 0, 0.0 0, 0.0 -0.221 110.2 7.5 -59.7 146.3 18.2 19.6 14.0 6 7 A N T 3 S+ 0 0 58 12,-0.2 2,-0.4 1,-0.2 11,-0.0 0.855 89.9 164.0 50.0 44.5 15.4 21.8 12.7 7 8 A F < + 0 0 20 -3,-0.8 2,-0.3 11,-0.2 11,-0.2 -0.781 0.6 143.3 -96.2 133.1 14.0 22.4 16.2 8 9 A S E -A 17 0A 33 9,-2.0 9,-2.7 -2,-0.4 2,-0.3 -0.971 45.6-106.4-164.7 150.4 11.5 25.2 16.9 9 10 A W E +A 16 0A 73 -2,-0.3 7,-0.3 7,-0.2 82,-0.1 -0.607 23.3 177.2 -83.0 140.4 8.4 26.0 19.0 10 11 A V E S+ 0 0 13 5,-3.2 6,-0.2 1,-0.3 -1,-0.2 0.712 88.9 23.3-105.0 -41.4 5.0 26.2 17.3 11 12 A L E >> S-A 15 0A 16 4,-2.2 3,-3.1 0, 0.0 4,-2.4 -0.930 102.7-114.1-128.7 100.0 3.1 26.8 20.6 12 13 A P T 34 S- 0 0 112 0, 0.0 4,-0.1 0, 0.0 0, 0.0 -0.064 95.2 -3.7 -38.6 117.2 5.6 28.2 23.2 13 14 A G T 34 S+ 0 0 49 1,-0.1 3,-0.1 2,-0.1 -4,-0.0 0.589 134.1 60.0 72.6 11.4 6.1 25.7 25.9 14 15 A R T <4 S+ 0 0 63 -3,-3.1 76,-3.0 1,-0.3 2,-0.4 0.621 103.7 19.2-133.2 -46.8 3.5 23.3 24.5 15 16 A L E < +Ab 11 90A 0 -4,-2.4 -5,-3.2 74,-0.2 -4,-2.2 -0.989 57.3 171.8-141.2 130.5 4.3 22.1 21.0 16 17 A A E -Ab 9 91A 0 74,-2.3 76,-2.5 -2,-0.4 2,-0.3 -0.947 18.9-141.9-135.2 154.6 7.5 21.9 19.0 17 18 A G E +Ab 8 92A 0 -9,-2.7 -9,-2.0 -2,-0.3 2,-0.3 -0.825 24.8 164.6-113.7 154.9 8.7 20.4 15.7 18 19 A L E - b 0 93A 0 74,-1.7 76,-0.9 -2,-0.3 -12,-0.2 -0.988 33.6-110.5-161.5 163.3 12.1 18.9 14.9 19 20 A A S S- 0 0 9 -14,-3.1 77,-0.2 -2,-0.3 76,-0.2 -0.140 72.0 -45.5 -83.7-170.3 14.0 16.7 12.5 20 21 A L - 0 0 57 75,-1.7 2,-0.2 73,-0.1 -1,-0.2 -0.407 56.7-143.9 -63.9 116.6 15.1 13.2 13.4 21 22 A P + 0 0 0 0, 0.0 28,-0.1 0, 0.0 -1,-0.0 -0.619 30.2 162.6 -78.7 143.7 16.8 13.1 16.9 22 23 A R + 0 0 126 -2,-0.2 -2,-0.0 24,-0.1 3,-0.0 0.433 46.3 66.6-142.0 -1.9 19.7 10.6 16.9 23 24 A L S >> S- 0 0 69 -21,-0.1 3,-1.2 1,-0.1 4,-1.2 -0.896 76.5-121.5-125.4 154.6 21.8 11.3 19.9 24 25 A P H 3> S+ 0 0 51 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.865 113.6 59.6 -60.2 -33.4 21.3 11.0 23.7 25 26 A A H 3> S+ 0 0 24 1,-0.2 -23,-2.7 2,-0.2 4,-1.4 0.720 97.9 59.5 -68.1 -21.7 22.1 14.8 24.0 26 27 A H H <> S+ 0 0 6 -3,-1.2 4,-1.6 -25,-0.2 -1,-0.2 0.939 108.7 42.2 -70.3 -48.3 19.2 15.6 21.7 27 28 A Y H X S+ 0 0 0 -4,-1.2 4,-2.4 1,-0.2 -2,-0.2 0.853 111.7 54.9 -66.1 -37.8 16.6 13.9 24.0 28 29 A Q H X S+ 0 0 92 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.879 106.1 53.6 -63.8 -35.5 18.3 15.4 27.1 29 30 A F H X S+ 0 0 32 -4,-1.4 4,-1.4 -27,-0.3 -2,-0.2 0.900 107.4 50.3 -63.4 -44.1 17.9 18.8 25.4 30 31 A L H <>S+ 0 0 0 -4,-1.6 5,-2.2 1,-0.2 3,-0.5 0.928 109.4 50.6 -61.3 -46.3 14.1 18.1 25.0 31 32 A L H ><5S+ 0 0 30 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.843 106.6 55.9 -60.8 -35.2 13.7 17.2 28.6 32 33 A D H 3<5S+ 0 0 127 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.816 106.4 49.8 -66.8 -32.8 15.5 20.4 29.6 33 34 A L T 3<5S- 0 0 71 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.378 124.0-102.8 -87.5 4.1 13.0 22.5 27.7 34 35 A G T < 5S+ 0 0 32 -3,-1.0 55,-1.9 -4,-0.2 2,-1.5 0.442 75.6 142.2 90.9 -1.4 10.1 20.7 29.4 35 36 A V E < +c 89 0A 0 -5,-2.2 -1,-0.2 -6,-0.2 55,-0.2 -0.613 14.3 163.5 -77.8 92.3 9.3 18.6 26.3 36 37 A R E + 0 0 97 -2,-1.5 20,-2.6 53,-0.9 2,-0.4 0.447 56.5 58.2 -89.9 -4.7 8.4 15.3 28.1 37 38 A H E -cd 90 56A 13 52,-1.3 54,-2.8 18,-0.2 2,-0.5 -0.994 60.3-166.4-131.9 136.7 6.7 13.7 25.1 38 39 A L E -cd 91 57A 0 18,-2.9 20,-3.3 -2,-0.4 2,-0.7 -0.971 7.9-156.7-125.6 117.0 8.0 12.9 21.7 39 40 A V E -cd 92 58A 0 52,-3.2 54,-2.4 -2,-0.5 2,-0.6 -0.844 15.3-157.1 -93.5 114.6 5.7 11.9 18.9 40 41 A S E +cd 93 59A 0 18,-2.2 20,-2.8 -2,-0.7 54,-0.2 -0.847 20.4 173.5 -99.9 117.7 7.7 9.9 16.3 41 42 A L + 0 0 2 52,-2.5 21,-2.1 -2,-0.6 53,-0.2 0.495 43.3 110.3 -98.7 -8.8 6.4 9.8 12.8 42 43 A T S S- 0 0 11 51,-0.3 18,-0.1 19,-0.2 -2,-0.1 -0.145 81.6-110.6 -66.7 163.3 9.3 8.0 11.0 43 44 A E S S+ 0 0 73 18,-0.1 2,-0.3 19,-0.1 -1,-0.1 0.772 106.0 30.6 -64.9 -25.2 9.1 4.5 9.7 44 45 A R S S- 0 0 208 3,-0.0 -2,-0.2 1,-0.0 -1,-0.1 -0.953 99.7 -92.1-132.9 152.3 11.4 3.4 12.5 45 46 A G - 0 0 40 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.256 52.3 -98.2 -60.6 148.7 11.9 4.7 16.0 46 47 A P > - 0 0 5 0, 0.0 3,-1.2 0, 0.0 -24,-0.1 -0.460 47.6 -96.8 -71.2 141.3 14.6 7.3 16.4 47 48 A P T 3 S+ 0 0 59 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.221 97.8 7.4 -61.1 143.7 18.0 6.1 17.6 48 49 A H T > S+ 0 0 121 1,-0.1 3,-1.7 -3,-0.1 4,-0.2 0.588 77.5 135.7 64.1 16.0 19.1 6.3 21.2 49 50 A S G X + 0 0 20 -3,-1.2 3,-1.8 1,-0.3 6,-0.2 0.872 64.8 66.1 -60.0 -35.2 15.7 7.4 22.5 50 51 A D G 3 S+ 0 0 149 1,-0.3 -1,-0.3 3,-0.1 -2,-0.0 0.564 77.4 84.3 -65.6 -5.6 16.0 4.9 25.4 51 52 A S G < S+ 0 0 52 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.794 92.0 49.8 -66.3 -26.7 18.9 6.9 26.8 52 53 A C X - 0 0 10 -3,-1.8 3,-2.0 -4,-0.2 -1,-0.3 -0.781 65.8-179.7-114.7 87.2 16.3 9.2 28.5 53 54 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.718 79.3 65.7 -58.0 -18.7 13.8 7.0 30.3 54 55 A G T 3 S+ 0 0 39 -3,-0.1 2,-0.5 2,-0.1 -4,-0.1 0.624 84.3 82.7 -79.7 -13.5 12.0 10.1 31.4 55 56 A L S < S- 0 0 19 -3,-2.0 2,-0.6 -6,-0.2 -18,-0.2 -0.803 76.5-138.3 -93.4 129.2 10.9 11.1 27.9 56 57 A T E -d 37 0A 65 -20,-2.6 -18,-2.9 -2,-0.5 2,-0.5 -0.787 12.8-149.8 -91.8 122.7 7.8 9.3 26.6 57 58 A L E -d 38 0A 61 -2,-0.6 2,-0.6 -20,-0.2 -18,-0.2 -0.777 8.1-166.2 -93.4 128.5 8.0 8.1 23.0 58 59 A H E -d 39 0A 29 -20,-3.3 -18,-2.2 -2,-0.5 2,-0.7 -0.915 11.4-151.4-116.3 103.1 4.7 8.0 21.1 59 60 A R E +d 40 0A 89 -2,-0.6 2,-0.3 -20,-0.2 -18,-0.2 -0.648 26.6 163.1 -80.5 114.2 5.1 6.0 17.8 60 61 A L - 0 0 19 -20,-2.8 2,-0.1 -2,-0.7 -1,-0.1 -0.693 27.6-156.6-127.8 73.7 2.7 7.1 15.1 61 62 A R + 0 0 119 -2,-0.3 -19,-0.2 -18,-0.1 -18,-0.1 -0.316 16.7 177.0 -60.8 125.3 4.4 5.6 12.0 62 63 A I - 0 0 2 -21,-2.1 3,-0.1 -2,-0.1 4,-0.1 -0.997 35.3-108.8-131.6 123.7 3.6 7.2 8.7 63 64 A P > - 0 0 50 0, 0.0 3,-1.4 0, 0.0 -21,-0.0 -0.134 45.8 -90.2 -49.5 142.6 5.3 6.0 5.5 64 65 A D T 3 S+ 0 0 48 1,-0.3 -22,-0.0 30,-0.0 30,-0.0 -0.261 111.0 12.1 -55.6 141.6 7.9 8.2 4.0 65 66 A F T 3 S+ 0 0 188 1,-0.2 -1,-0.3 -3,-0.1 0, 0.0 0.727 107.8 105.3 62.4 25.4 6.5 10.7 1.5 66 67 A C < - 0 0 48 -3,-1.4 -1,-0.2 -4,-0.1 -4,-0.0 -0.903 69.8-110.4-130.4 159.5 2.9 9.9 2.5 67 68 A P - 0 0 36 0, 0.0 70,-0.1 0, 0.0 2,-0.1 -0.469 39.9 -92.2 -87.9 162.4 0.3 11.9 4.5 68 69 A P - 0 0 9 0, 0.0 -6,-0.1 0, 0.0 -7,-0.0 -0.408 40.8-115.6 -71.3 147.9 -1.1 11.0 8.0 69 70 A A >> - 0 0 46 1,-0.1 4,-1.8 -2,-0.1 3,-0.9 -0.566 28.3-109.6 -82.5 150.2 -4.2 8.9 8.2 70 71 A P H 3> S+ 0 0 62 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.875 118.5 49.9 -44.4 -50.8 -7.3 10.6 9.7 71 72 A D H 3> S+ 0 0 135 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.824 107.3 56.3 -61.3 -32.4 -7.2 8.4 12.9 72 73 A Q H <> S+ 0 0 46 -3,-0.9 4,-3.0 2,-0.2 -1,-0.2 0.910 105.7 49.5 -66.3 -42.9 -3.5 9.2 13.3 73 74 A I H X S+ 0 0 2 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.928 110.0 51.4 -62.9 -43.8 -4.1 12.9 13.4 74 75 A D H X S+ 0 0 75 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.897 111.6 47.8 -59.8 -38.8 -6.9 12.4 16.0 75 76 A R H X S+ 0 0 98 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.930 109.5 52.6 -67.4 -44.8 -4.4 10.4 18.1 76 77 A F H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.959 110.6 47.8 -53.2 -54.1 -1.7 13.1 17.7 77 78 A V H X S+ 0 0 13 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.897 110.4 52.0 -53.6 -45.2 -4.2 15.8 18.9 78 79 A Q H X S+ 0 0 116 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.908 108.9 51.1 -59.4 -44.0 -5.2 13.6 21.8 79 80 A I H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.910 111.6 45.7 -61.9 -44.8 -1.5 13.1 22.8 80 81 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.918 112.8 50.9 -66.5 -42.6 -0.8 16.8 22.8 81 82 A D H X S+ 0 0 50 -4,-2.6 4,-1.3 -5,-0.2 -2,-0.2 0.906 113.4 44.6 -60.3 -45.2 -4.0 17.7 24.7 82 83 A E H X S+ 0 0 52 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.870 114.0 49.1 -68.8 -38.9 -3.2 15.1 27.4 83 84 A A H ><>S+ 0 0 0 -4,-2.2 5,-2.4 -5,-0.2 3,-1.0 0.946 113.2 45.6 -65.8 -49.0 0.5 16.1 27.7 84 85 A N H ><5S+ 0 0 29 -4,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.775 104.6 63.9 -65.0 -26.1 -0.3 19.8 28.0 85 86 A A H 3<5S+ 0 0 82 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.799 104.0 48.2 -65.6 -28.5 -3.1 18.9 30.5 86 87 A R T <<5S- 0 0 157 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.260 125.0-105.4 -93.8 8.9 -0.2 17.7 32.7 87 88 A G T < 5S+ 0 0 71 -3,-1.5 2,-0.4 1,-0.3 -3,-0.2 0.754 81.2 129.7 73.1 23.7 1.8 20.8 32.2 88 89 A E < - 0 0 57 -5,-2.4 -1,-0.3 -6,-0.1 -2,-0.2 -0.902 52.6-131.7-115.9 142.8 4.2 19.1 29.8 89 90 A A E - c 0 35A 4 -55,-1.9 -52,-1.3 -2,-0.4 -53,-0.9 -0.517 17.4-141.2 -87.9 156.6 5.3 20.1 26.3 90 91 A V E -bc 15 37A 0 -76,-3.0 -74,-2.3 -55,-0.2 2,-0.4 -0.927 6.9-159.0-121.8 144.0 5.3 17.8 23.3 91 92 A G E -bc 16 38A 0 -54,-2.8 -52,-3.2 -2,-0.4 2,-0.4 -0.953 7.2-161.4-119.0 140.2 7.8 17.5 20.4 92 93 A V E +bc 17 39A 0 -76,-2.5 -74,-1.7 -2,-0.4 2,-0.3 -0.987 14.3 174.9-125.0 132.5 6.9 16.0 17.0 93 94 A H E +bc 18 40A 0 -54,-2.4 -52,-2.5 -2,-0.4 -51,-0.3 -0.928 15.9 167.5-136.2 157.8 9.4 14.7 14.5 94 95 A C - 0 0 2 -76,-0.9 -52,-0.2 -2,-0.3 -30,-0.0 -0.445 63.1 -65.0-137.6-146.4 9.8 12.9 11.2 95 96 A A S S+ 0 0 40 -2,-0.2 -75,-1.7 -76,-0.2 -53,-0.0 0.965 129.2 5.2 -77.9 -53.5 12.8 12.5 9.0 96 97 A L S S- 0 0 128 -77,-0.2 -77,-0.2 -3,-0.0 -1,-0.1 0.571 95.2-123.7-105.9 -13.3 13.4 16.2 8.0 97 98 A G S S+ 0 0 0 -79,-0.1 -78,-0.1 -78,-0.1 34,-0.1 0.653 89.4 84.3 80.6 16.5 10.8 17.8 10.2 98 99 A F S S+ 0 0 63 3,-0.1 34,-2.4 33,-0.1 32,-0.1 0.758 86.9 35.4-115.1 -45.7 9.0 19.6 7.3 99 100 A G S > S+ 0 0 14 32,-0.2 4,-2.2 3,-0.2 33,-0.2 0.974 128.9 16.9 -76.5 -84.3 6.5 17.2 5.6 100 101 A R H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.901 132.3 48.7 -59.2 -42.1 4.8 14.8 8.0 101 102 A T H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.962 110.2 50.9 -62.6 -50.5 5.8 17.0 11.0 102 103 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.859 108.6 51.9 -55.3 -38.7 4.6 20.1 9.3 103 104 A T H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.916 110.8 46.8 -66.1 -43.5 1.2 18.6 8.6 104 105 A X H X S+ 0 0 2 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.934 111.8 50.9 -63.7 -47.3 0.7 17.5 12.2 105 106 A L H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 3,-0.3 0.937 110.6 49.1 -56.4 -47.7 1.7 20.8 13.6 106 107 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.865 107.7 55.6 -61.4 -36.6 -0.7 22.6 11.2 107 108 A C H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.850 103.9 53.0 -66.9 -32.6 -3.5 20.3 12.3 108 109 A Y H X>S+ 0 0 0 -4,-1.8 4,-3.8 -3,-0.3 5,-0.5 0.876 107.0 52.8 -70.4 -33.8 -3.1 21.1 15.9 109 110 A L H X5S+ 0 0 8 -4,-1.6 4,-1.6 2,-0.2 6,-1.4 0.872 108.3 51.1 -65.9 -37.0 -3.4 24.8 15.1 110 111 A V H X5S+ 0 0 3 -4,-1.7 4,-0.7 4,-0.2 -2,-0.2 0.965 120.1 35.0 -62.8 -51.6 -6.6 24.1 13.3 111 112 A K H <5S+ 0 0 75 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.940 129.5 30.6 -68.3 -52.7 -8.0 22.2 16.3 112 113 A E H <5S+ 0 0 54 -4,-3.8 -3,-0.2 -5,-0.2 -2,-0.2 0.785 130.1 33.1 -82.9 -30.4 -6.5 24.2 19.2 113 114 A R H < - 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