==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-MAY-11 3S4E . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN PHOSPHATASE 19; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.H.WEI,S.Y.RYU,Y.H.JEON,D.G.JEONG,S.J.KIM,S.E.RYU . 144 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7323.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 96 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 3.5 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 10 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 0 1 0 0 1 0 1 0 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 3 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 . 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 A 0 0 147 0, 0.0 17,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 32.2 -4.4 -6.9 -18.8 2 -1 A S - 0 0 27 15,-0.1 2,-0.4 13,-0.0 12,-0.0 -0.387 360.0-152.5 -73.2 160.8 -1.4 -6.6 -16.4 3 65 A Q - 0 0 147 -2,-0.1 2,-0.2 2,-0.0 15,-0.1 -0.948 7.2-152.6-136.6 111.2 1.5 -4.2 -17.2 4 66 A V - 0 0 18 -2,-0.4 2,-0.4 10,-0.1 10,-0.2 -0.523 13.2-128.9 -75.5 153.5 5.0 -5.0 -15.9 5 67 A G E -A 13 0A 2 8,-2.6 8,-2.4 -2,-0.2 2,-0.7 -0.837 13.3-134.5 -98.7 141.5 7.6 -2.3 -15.3 6 68 A V E +A 12 0A 94 -2,-0.4 6,-0.2 115,-0.3 4,-0.0 -0.872 31.7 165.4 -99.4 112.0 11.1 -2.6 -16.7 7 69 A I E S- 0 0 12 4,-2.7 5,-0.2 -2,-0.7 -1,-0.2 0.825 73.8 -5.2 -92.6 -44.6 13.6 -1.7 -13.9 8 70 A K E > S-A 11 0A 53 3,-1.7 3,-1.8 0, 0.0 -1,-0.5 -0.903 84.1 -97.7-136.1 169.3 16.7 -3.2 -15.6 9 71 A P T 3 S+ 0 0 110 0, 0.0 3,-0.0 0, 0.0 -2,-0.0 0.837 130.3 35.3 -58.8 -27.3 16.9 -5.2 -18.8 10 72 A W T 3 S+ 0 0 42 1,-0.1 74,-2.7 73,-0.1 2,-0.4 0.173 110.2 72.6-109.6 10.2 17.0 -8.2 -16.5 11 73 A L E < +Ab 8 84A 0 -3,-1.8 -4,-2.7 72,-0.2 -3,-1.7 -0.943 54.1 178.5-139.4 115.5 14.6 -7.0 -13.8 12 74 A L E -Ab 6 85A 9 72,-3.1 74,-3.0 -2,-0.4 2,-0.4 -0.827 13.7-152.0-111.7 152.6 10.8 -6.6 -14.1 13 75 A L E +Ab 5 86A 0 -8,-2.4 -8,-2.6 -2,-0.3 2,-0.3 -0.987 34.1 126.5-125.5 130.2 8.3 -5.5 -11.5 14 76 A G E - b 0 87A 0 72,-2.2 74,-1.1 -2,-0.4 2,-0.1 -0.882 45.7 -81.4-164.1-167.7 4.7 -6.6 -11.5 15 77 A S > - 0 0 14 -2,-0.3 4,-2.0 72,-0.2 75,-0.2 -0.396 49.2 -93.2-102.1 174.9 1.5 -8.1 -9.9 16 78 A Q H > S+ 0 0 55 73,-2.7 4,-1.2 1,-0.2 74,-0.1 0.857 125.0 60.0 -58.8 -36.8 0.2 -11.6 -9.4 17 79 A D H 4 S+ 0 0 108 72,-0.4 3,-0.5 1,-0.2 -1,-0.2 0.926 104.8 47.8 -59.7 -43.1 -1.6 -11.3 -12.7 18 80 A A H >4 S+ 0 0 1 1,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.914 109.6 53.3 -59.8 -42.2 1.7 -10.8 -14.4 19 81 A A H 3< S+ 0 0 2 -4,-2.0 24,-0.3 1,-0.3 -1,-0.2 0.718 112.5 45.3 -64.3 -22.9 3.1 -13.8 -12.6 20 82 A H T 3< S+ 0 0 60 -4,-1.2 2,-0.9 -3,-0.5 -1,-0.3 0.224 89.2 95.7-103.3 10.8 0.1 -15.8 -13.8 21 83 A D <> + 0 0 39 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 -0.826 46.2 177.2-107.8 86.6 0.3 -14.6 -17.4 22 84 A L H > S+ 0 0 47 -2,-0.9 4,-2.4 1,-0.2 5,-0.2 0.892 77.3 59.2 -61.1 -37.4 2.3 -17.2 -19.3 23 85 A D H > S+ 0 0 128 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.921 113.4 36.9 -55.2 -52.2 1.9 -15.5 -22.7 24 86 A T H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.857 110.4 59.8 -78.1 -27.1 3.6 -12.3 -21.4 25 87 A L H <>S+ 0 0 3 -4,-2.5 5,-2.4 2,-0.2 -1,-0.2 0.936 111.6 43.3 -59.4 -44.4 6.1 -14.1 -19.2 26 88 A K H ><5S+ 0 0 126 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.933 112.4 50.7 -67.5 -43.2 7.3 -15.7 -22.4 27 89 A K H 3<5S+ 0 0 160 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.849 111.0 51.0 -58.7 -35.1 7.2 -12.6 -24.5 28 90 A N T 3<5S- 0 0 62 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.386 111.2-121.8 -89.3 2.5 9.2 -10.8 -21.8 29 91 A K T < 5 + 0 0 157 -3,-1.5 54,-0.2 1,-0.2 -3,-0.2 0.783 44.3 179.4 66.2 29.2 11.9 -13.5 -21.7 30 92 A V < + 0 0 11 -5,-2.4 -1,-0.2 -6,-0.2 54,-0.2 -0.420 19.9 163.3 -65.8 135.4 11.4 -14.3 -18.0 31 93 A T + 0 0 55 52,-2.8 18,-2.6 1,-0.3 2,-0.4 0.580 65.0 39.8-115.5 -28.0 13.6 -17.0 -16.6 32 94 A H E -cd 49 84A 7 51,-2.2 53,-2.5 16,-0.2 2,-0.4 -0.969 60.7-162.4-130.7 141.1 13.3 -16.3 -12.8 33 95 A I E -cd 50 85A 0 16,-2.7 18,-2.2 -2,-0.4 2,-0.6 -0.992 1.6-164.7-131.5 122.1 10.3 -15.4 -10.7 34 96 A L E -cd 51 86A 0 51,-2.8 53,-2.7 -2,-0.4 2,-0.7 -0.943 9.8-162.6-107.0 111.0 10.6 -13.9 -7.2 35 97 A N E +cd 52 87A 7 16,-2.6 18,-2.6 -2,-0.6 53,-0.2 -0.869 18.1 167.7-102.9 108.3 7.3 -14.1 -5.4 36 98 A V + 0 0 0 51,-2.9 53,-0.2 -2,-0.7 52,-0.2 -0.101 46.5 91.3-118.0 33.3 7.2 -11.7 -2.4 37 99 A A S S- 0 0 3 51,-0.3 18,-1.6 50,-0.2 2,-0.4 -0.112 82.0 -97.3 -96.5-159.5 3.5 -11.7 -1.6 38 100 A Y S S- 0 0 151 16,-0.2 -2,-0.1 -2,-0.1 16,-0.1 -0.986 93.9 -8.4-124.4 121.6 1.7 -14.1 0.8 39 101 A G S S+ 0 0 68 -2,-0.4 2,-0.5 1,-0.2 -1,-0.0 0.647 83.3 145.0 76.8 14.3 -0.2 -17.1 -0.5 40 102 A V - 0 0 15 1,-0.0 -1,-0.2 -5,-0.0 -3,-0.1 -0.753 49.2-122.6 -83.7 126.9 0.2 -16.4 -4.2 41 103 A E - 0 0 152 -2,-0.5 2,-0.8 1,-0.1 -1,-0.0 -0.393 7.6-128.5 -69.6 147.0 0.6 -19.6 -6.2 42 104 A N - 0 0 37 1,-0.1 3,-0.4 -2,-0.1 -22,-0.1 -0.854 30.3-170.6 -89.7 107.5 3.6 -20.3 -8.4 43 105 A A + 0 0 48 -2,-0.8 2,-0.2 -24,-0.3 -1,-0.1 0.664 68.6 42.0 -83.5 -21.3 1.6 -21.3 -11.5 44 106 A F >> + 0 0 39 1,-0.1 3,-2.2 2,-0.0 4,-0.8 -0.507 61.8 166.5-131.0 61.5 4.3 -22.6 -13.9 45 107 A L T 34 S+ 0 0 130 -3,-0.4 3,-0.3 1,-0.3 5,-0.2 0.748 76.5 44.6 -59.1 -32.3 6.6 -24.7 -11.8 46 108 A S T 34 S+ 0 0 116 1,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.517 110.0 56.9 -86.6 -6.8 8.4 -26.4 -14.7 47 109 A D T <4 S+ 0 0 78 -3,-2.2 2,-0.3 1,-0.1 -2,-0.2 0.583 108.4 25.5-101.6 -18.6 8.8 -23.3 -16.8 48 110 A F S < S- 0 0 20 -4,-0.8 2,-0.6 -3,-0.3 -16,-0.2 -0.953 76.9-106.7-142.3 159.2 10.8 -20.9 -14.5 49 111 A T E -c 32 0A 64 -18,-2.6 -16,-2.7 -2,-0.3 2,-0.3 -0.869 47.3-162.4 -89.0 123.0 13.1 -20.8 -11.6 50 112 A Y E -c 33 0A 43 -2,-0.6 2,-0.3 -18,-0.2 -16,-0.2 -0.781 22.4-179.0-107.5 148.8 11.1 -19.7 -8.6 51 113 A K E -c 34 0A 54 -18,-2.2 -16,-2.6 -2,-0.3 2,-0.4 -0.975 12.2-164.1-138.5 135.3 11.9 -18.3 -5.2 52 114 A S E +c 35 0A 67 -2,-0.3 2,-0.4 -18,-0.2 -16,-0.2 -0.967 10.7 178.1-122.4 130.8 9.1 -17.4 -2.7 53 115 A I - 0 0 22 -18,-2.6 2,-0.4 -2,-0.4 -2,-0.0 -0.985 28.8-130.4-132.4 113.8 9.5 -15.3 0.4 54 116 A S + 0 0 75 -2,-0.4 2,-0.4 -18,-0.1 -16,-0.2 -0.561 35.0 168.8 -67.9 128.3 6.3 -14.6 2.4 55 117 A I - 0 0 1 -18,-1.6 2,-0.4 -2,-0.4 39,-0.1 -0.998 25.8-143.4-141.4 137.2 5.8 -10.9 3.2 56 118 A L - 0 0 85 -2,-0.4 2,-2.0 2,-0.1 5,-0.1 -0.844 20.8-128.3 -97.9 134.6 2.8 -9.1 4.6 57 119 A D + 0 0 63 -2,-0.4 -20,-0.0 3,-0.1 -19,-0.0 -0.514 64.4 125.8 -82.8 75.4 2.0 -5.6 3.3 58 120 A L > - 0 0 77 -2,-2.0 3,-1.6 1,-0.1 -2,-0.1 -0.956 69.5-123.3-133.0 147.8 1.8 -4.0 6.8 59 121 A P T 3 S+ 0 0 61 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.776 112.2 59.1 -66.3 -23.2 3.7 -0.9 8.0 60 122 A E T 3 S+ 0 0 157 2,-0.1 2,-0.3 3,-0.0 -3,-0.1 0.604 81.7 103.1 -81.6 -9.5 5.1 -3.0 10.9 61 123 A T S < S- 0 0 18 -3,-1.6 2,-1.1 -5,-0.1 3,-0.1 -0.572 74.9-134.0 -68.0 132.3 6.7 -5.5 8.5 62 124 A N > - 0 0 78 -2,-0.3 3,-1.4 1,-0.2 4,-0.3 -0.755 21.9-174.7 -88.0 93.5 10.4 -4.8 8.4 63 125 A I G > S+ 0 0 0 -2,-1.1 3,-1.8 1,-0.3 4,-0.3 0.847 79.0 66.8 -60.1 -30.2 11.0 -4.9 4.6 64 126 A L G > S+ 0 0 46 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.779 88.6 66.9 -61.3 -27.9 14.8 -4.6 5.2 65 127 A S G < S+ 0 0 58 -3,-1.4 -1,-0.3 1,-0.2 4,-0.2 0.659 99.1 50.2 -70.0 -17.2 14.8 -8.0 6.8 66 128 A Y G <> S+ 0 0 58 -3,-1.8 4,-1.8 -4,-0.3 -1,-0.2 0.463 83.9 97.6 -96.9 -0.4 14.0 -9.7 3.5 67 129 A F H <> S+ 0 0 5 -3,-1.2 4,-3.4 -4,-0.3 5,-0.3 0.909 76.5 48.9 -64.9 -49.1 16.6 -8.0 1.5 68 130 A P H > S+ 0 0 80 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.925 113.3 48.3 -63.1 -36.6 19.5 -10.5 1.3 69 131 A E H > S+ 0 0 82 -4,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.881 118.7 40.5 -67.3 -36.8 17.2 -13.4 0.3 70 132 A C H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 3,-0.4 0.927 114.6 49.3 -74.7 -46.7 15.6 -11.4 -2.4 71 133 A F H X S+ 0 0 11 -4,-3.4 4,-2.4 1,-0.3 -2,-0.2 0.867 106.5 54.7 -69.3 -35.4 18.7 -9.6 -3.7 72 134 A E H X S+ 0 0 116 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.3 0.847 110.2 48.2 -64.4 -34.8 20.8 -12.7 -4.1 73 135 A F H X S+ 0 0 8 -4,-0.7 4,-1.9 -3,-0.4 -2,-0.2 0.897 108.4 52.4 -73.0 -40.2 18.1 -14.3 -6.3 74 136 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.942 110.4 50.4 -55.3 -45.0 17.7 -11.2 -8.4 75 137 A E H X S+ 0 0 75 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.858 102.9 59.9 -64.3 -35.2 21.5 -11.4 -8.9 76 138 A E H X S+ 0 0 58 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.939 105.7 48.1 -55.3 -48.4 21.3 -15.1 -9.9 77 139 A A H <>S+ 0 0 0 -4,-1.9 5,-2.7 2,-0.2 -2,-0.2 0.921 113.0 47.7 -61.1 -43.3 19.0 -14.1 -12.8 78 140 A K H ><5S+ 0 0 92 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.954 111.3 50.3 -60.0 -46.7 21.4 -11.4 -13.9 79 141 A R H 3<5S+ 0 0 195 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.825 109.1 52.5 -62.8 -34.3 24.4 -13.7 -13.6 80 142 A K T 3<5S- 0 0 127 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.331 115.0-114.6 -85.3 8.3 22.6 -16.3 -15.7 81 143 A D T < 5S+ 0 0 155 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.818 79.2 116.4 60.0 38.2 21.8 -13.8 -18.5 82 144 A G < - 0 0 11 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.2 -0.139 64.9-106.4-115.2-157.1 18.1 -14.2 -17.8 83 145 A V - 0 0 17 -54,-0.2 -52,-2.8 -2,-0.1 -51,-2.2 -0.988 22.0-152.7-143.1 126.5 15.3 -11.9 -16.6 84 146 A V E -bd 11 32A 0 -74,-2.7 -72,-3.1 -2,-0.4 2,-0.6 -0.895 3.7-152.5-102.4 134.1 13.6 -12.0 -13.1 85 147 A L E -bd 12 33A 1 -53,-2.5 -51,-2.8 -2,-0.5 2,-0.6 -0.924 10.0-161.3 -94.5 117.8 10.1 -10.9 -12.5 86 148 A V E +bd 13 34A 0 -74,-3.0 -72,-2.2 -2,-0.6 2,-0.3 -0.906 27.1 160.5 -94.7 122.2 9.7 -9.6 -8.9 87 149 A H E +bd 14 35A 0 -53,-2.7 -51,-2.9 -2,-0.6 -72,-0.2 -0.944 24.4 173.2-139.8 162.9 6.0 -9.7 -8.1 88 150 A S - 0 0 1 -74,-1.1 -51,-0.3 -2,-0.3 -69,-0.2 -0.130 57.0 -68.2-135.0-128.2 3.7 -9.7 -5.1 89 151 A N S S+ 0 0 77 -74,-0.2 -73,-2.7 -53,-0.2 -72,-0.4 0.717 125.9 5.7 -99.5 -81.8 -0.1 -9.4 -5.2 90 152 A A S S- 0 0 60 -75,-0.2 -75,-0.1 -74,-0.1 -53,-0.0 0.777 94.3-139.2 -66.9 -25.7 -1.1 -5.9 -6.3 91 153 A G S S+ 0 0 1 -76,-0.1 33,-0.1 1,-0.1 -1,-0.1 0.797 74.5 102.3 74.7 26.9 2.6 -5.3 -7.0 92 154 A V S S+ 0 0 37 33,-0.1 34,-2.9 34,-0.1 -1,-0.1 0.471 88.2 13.8-120.5 -5.4 2.6 -1.7 -5.6 93 155 A S S > S+ 0 0 4 32,-0.2 4,-2.8 34,-0.1 5,-0.2 0.565 124.0 35.3-138.0 -74.9 4.1 -2.1 -2.1 94 156 A R H > S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.959 126.5 38.4 -54.4 -57.5 6.0 -5.2 -1.1 95 157 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 116.1 53.1 -67.1 -35.4 7.5 -5.9 -4.5 96 158 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.924 109.3 48.9 -62.2 -44.1 8.1 -2.2 -5.2 97 159 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.899 109.3 53.0 -65.8 -40.3 10.0 -1.8 -1.8 98 160 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.939 112.0 44.9 -58.5 -46.6 12.1 -4.9 -2.6 99 161 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.898 112.2 50.7 -67.9 -42.6 13.1 -3.5 -6.0 100 162 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.954 113.1 46.6 -58.6 -46.9 13.8 0.0 -4.6 101 163 A G H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.893 107.7 57.4 -63.3 -33.8 16.0 -1.5 -1.9 102 164 A F H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.908 107.9 46.8 -61.5 -45.5 17.7 -3.7 -4.5 103 165 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 6,-0.9 0.920 112.8 49.2 -64.3 -44.5 18.8 -0.7 -6.5 104 166 A M H X S+ 0 0 9 -4,-2.3 4,-1.1 4,-0.2 -2,-0.2 0.883 117.0 42.1 -59.4 -40.8 20.0 1.1 -3.3 105 167 A N H < S+ 0 0 65 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.906 119.7 40.2 -73.6 -45.2 22.0 -2.0 -2.3 106 168 A S H < S+ 0 0 50 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.753 133.7 19.8 -82.9 -23.9 23.5 -3.0 -5.6 107 169 A E H < S- 0 0 59 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.436 92.7-127.5-124.4 -3.7 24.3 0.6 -6.9 108 170 A Q < + 0 0 138 -4,-1.1 -4,-0.2 -5,-0.4 2,-0.1 0.754 54.0 157.2 54.0 34.3 24.3 2.7 -3.7 109 171 A T - 0 0 49 -6,-0.9 -1,-0.2 1,-0.1 -2,-0.1 -0.474 45.7 -93.9 -84.3 159.9 21.9 5.0 -5.4 110 172 A S > - 0 0 53 -2,-0.1 4,-2.8 1,-0.1 5,-0.3 -0.231 25.5-115.3 -73.4 163.0 19.8 7.2 -3.2 111 173 A F H > S+ 0 0 23 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.924 115.8 49.0 -55.5 -50.4 16.3 6.4 -2.0 112 174 A T H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 113.4 45.8 -65.4 -38.5 14.8 9.3 -4.0 113 175 A S H > S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 115.7 45.9 -69.1 -40.4 16.5 8.4 -7.2 114 176 A A H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.930 113.2 50.5 -66.4 -44.1 15.7 4.7 -6.9 115 177 A F H X S+ 0 0 36 -4,-3.1 4,-2.9 -5,-0.3 5,-0.2 0.940 111.3 48.5 -59.0 -46.2 12.0 5.5 -6.0 116 178 A S H X S+ 0 0 64 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.911 110.4 50.7 -63.8 -42.7 11.7 7.8 -9.0 117 179 A L H X S+ 0 0 67 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.929 113.6 45.0 -60.1 -45.6 13.2 5.3 -11.4 118 180 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.933 113.1 49.2 -69.2 -38.8 10.8 2.6 -10.2 119 181 A K H < S+ 0 0 92 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.858 108.5 53.7 -68.6 -34.5 7.7 4.8 -10.2 120 182 A N H < S+ 0 0 137 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.900 114.2 42.7 -63.2 -36.7 8.6 6.0 -13.7 121 183 A A H < S+ 0 0 33 -4,-1.8 -115,-0.3 1,-0.3 -2,-0.2 0.833 133.1 21.2 -73.0 -35.5 8.7 2.4 -14.8 122 184 A R S >< S- 0 0 26 -4,-2.2 3,-2.0 -117,-0.2 -1,-0.3 -0.782 70.4-173.0-137.5 85.7 5.6 1.4 -12.8 123 185 A P T 3 S+ 0 0 98 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.600 77.0 68.2 -66.8 -10.6 3.5 4.5 -12.1 124 186 A S T 3 + 0 0 63 -33,-0.1 -5,-0.1 2,-0.0 -32,-0.0 0.482 69.3 124.2 -82.7 -4.7 1.1 2.6 -9.9 125 187 A I < + 0 0 5 -3,-2.0 -32,-0.2 -6,-0.2 -33,-0.1 -0.252 22.9 160.2 -61.3 147.7 3.6 2.0 -7.1 126 188 A C - 0 0 95 -34,-2.9 -34,-0.1 2,-0.0 3,-0.1 -0.493 22.4-159.6-163.4 77.5 2.5 3.2 -3.6 127 189 A P - 0 0 11 0, 0.0 -34,-0.1 0, 0.0 5,-0.1 -0.344 32.4 -94.8 -66.0 150.7 4.5 1.5 -0.9 128 190 A N > - 0 0 27 1,-0.1 4,-2.4 3,-0.1 5,-0.2 -0.150 37.9-108.0 -62.4 159.3 3.0 1.5 2.6 129 191 A S H > S+ 0 0 94 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.749 118.0 55.8 -68.7 -23.5 4.3 4.3 4.9 130 192 A G H > S+ 0 0 13 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.945 108.9 45.9 -68.7 -50.3 6.4 1.9 7.0 131 193 A F H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.896 111.4 54.6 -57.4 -41.9 8.2 0.6 4.0 132 194 A M H X S+ 0 0 29 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.947 111.9 41.9 -58.0 -52.0 8.7 4.2 2.8 133 195 A E H X S+ 0 0 104 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.909 113.3 53.1 -66.7 -39.8 10.3 5.3 6.0 134 196 A Q H X S+ 0 0 31 -4,-2.9 4,-0.9 1,-0.2 3,-0.3 0.945 110.5 48.2 -55.3 -50.1 12.4 2.1 6.3 135 197 A L H >< S+ 0 0 0 -4,-2.8 3,-0.7 1,-0.2 -2,-0.2 0.894 106.0 57.5 -61.7 -39.1 13.7 2.7 2.7 136 198 A R H 3< S+ 0 0 111 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.891 112.5 41.1 -56.4 -39.6 14.6 6.3 3.5 137 199 A T H >< S+ 0 0 59 -4,-1.7 3,-2.1 -3,-0.3 4,-0.3 0.626 85.7 127.6 -83.5 -12.0 16.8 5.1 6.4 138 200 A Y T << S- 0 0 36 -4,-0.9 -27,-0.1 -3,-0.7 -3,-0.0 -0.250 84.3 -10.0 -62.7 126.1 18.4 2.2 4.5 139 201 A Q T 3> S+ 0 0 31 3,-0.1 4,-2.7 1,-0.0 5,-0.3 0.532 83.6 137.1 64.1 22.1 22.2 2.2 4.6 140 202 A E H <> S+ 0 0 120 -3,-2.1 4,-1.8 1,-0.2 -2,-0.1 0.933 75.8 49.4 -60.5 -40.8 22.5 5.7 6.0 141 203 A G H 4 S+ 0 0 73 -4,-0.3 3,-0.2 1,-0.2 -1,-0.2 0.957 112.5 47.3 -60.6 -48.0 25.3 4.3 8.4 142 204 A K H 4 S+ 0 0 153 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.888 113.4 46.5 -58.4 -44.5 27.1 2.6 5.5 143 205 A E H < 0 0 83 -4,-2.7 -1,-0.2 1,-0.0 -2,-0.2 0.775 360.0 360.0 -72.5 -30.4 27.0 5.6 3.2 144 206 A S < 0 0 145 -4,-1.8 -3,-0.1 -5,-0.3 -4,-0.1 0.866 360.0 360.0 48.5 360.0 28.1 8.0 5.9