==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-DEC-02 1NC1 . COMPND 2 MOLECULE: MTA/SAH NUCLEOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.E.LEE,K.A.CORNELL,M.K.RISCOE,P.L.HOWELL . 466 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 79 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 11.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 1 0.2 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 . 21 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.9 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 0 4 2 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 RESIDUES PER ALPHA HELIX . 2 0 0 4 1 1 0 4 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 4 2 0 0 2 2 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 0 0 0 0 0 0 2 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 -1 A F 0 0 261 0, 0.0 43,-0.1 0, 0.0 231,-0.0 0.000 360.0 360.0 360.0 -7.4 88.0 84.8 22.9 2 0 A S + 0 0 122 230,-0.1 2,-0.3 41,-0.0 41,-0.0 0.077 360.0 111.2-115.7 22.4 86.6 85.6 26.4 3 1 A M - 0 0 51 229,-0.1 2,-0.5 67,-0.0 41,-0.5 -0.764 50.7-156.7 -99.6 141.9 82.9 85.2 25.6 4 2 A K E -a 44 0A 65 -2,-0.3 67,-2.9 65,-0.2 68,-0.9 -0.979 11.5-154.4-119.0 117.2 80.8 82.4 26.9 5 3 A I E -ab 45 72A 0 39,-2.6 41,-2.0 -2,-0.5 2,-0.4 -0.837 4.1-149.8 -96.5 119.3 77.7 81.8 24.8 6 4 A G E -ab 46 73A 0 66,-2.5 68,-2.6 -2,-0.6 2,-0.4 -0.696 13.3-170.6 -88.2 134.5 74.6 80.2 26.5 7 5 A I E -ab 47 74A 1 39,-3.1 41,-3.2 -2,-0.4 2,-0.5 -0.991 2.2-165.2-127.3 131.0 72.4 78.0 24.4 8 6 A I E +ab 48 75A 1 66,-2.7 68,-2.3 -2,-0.4 2,-0.3 -0.968 12.2 168.3-124.5 125.7 69.0 76.7 25.5 9 7 A G E -a 49 0A 0 39,-2.7 41,-2.6 -2,-0.5 42,-0.3 -0.966 23.9-149.9-129.0 143.1 67.0 73.9 23.9 10 8 A A S S+ 0 0 3 66,-0.4 41,-1.4 -2,-0.3 2,-0.2 0.918 73.7 43.8 -80.3 -48.3 63.9 72.2 25.4 11 9 A M S >> S- 0 0 34 39,-0.1 4,-0.9 40,-0.1 3,-0.8 -0.685 79.5-116.3-105.9 158.8 64.1 68.7 24.0 12 10 A E H >> S+ 0 0 77 1,-0.3 4,-2.7 -2,-0.2 3,-1.1 0.898 116.0 52.5 -50.8 -50.4 66.8 66.0 23.4 13 11 A E H 34 S+ 0 0 89 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.802 107.2 54.6 -60.8 -28.6 66.3 66.1 19.6 14 12 A E H <4 S+ 0 0 1 -3,-0.8 -1,-0.3 1,-0.1 -2,-0.2 0.683 119.9 28.9 -80.8 -17.0 66.8 69.9 19.7 15 13 A V H S+ 0 0 67 -4,-0.5 4,-0.8 2,-0.2 -1,-0.2 0.938 115.7 43.6 -64.2 -48.9 73.4 67.8 17.3 18 16 A L H >> S+ 0 0 2 1,-0.2 3,-0.9 2,-0.2 4,-0.6 0.921 113.0 54.5 -62.2 -41.2 75.0 70.8 19.0 19 17 A R H >< S+ 0 0 27 -4,-2.8 3,-1.4 1,-0.3 -2,-0.2 0.913 102.6 54.5 -59.2 -46.6 75.9 68.6 22.0 20 18 A D H 3< S+ 0 0 107 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.698 107.2 54.1 -62.0 -19.1 77.8 66.1 19.8 21 19 A K H << S+ 0 0 108 -3,-0.9 20,-0.4 -4,-0.8 2,-0.3 0.575 79.6 111.0 -93.2 -8.2 79.9 68.9 18.4 22 20 A I X< - 0 0 15 -3,-1.4 3,-0.7 -4,-0.6 2,-0.2 -0.497 60.3-143.5 -70.0 126.9 81.1 70.4 21.8 23 21 A E E 3 S+C 39 0A 90 16,-3.4 16,-2.0 -2,-0.3 3,-0.1 -0.630 82.2 11.9 -88.6 151.2 84.8 69.8 22.3 24 22 A N E 3 S- 0 0 129 -2,-0.2 -1,-0.2 14,-0.2 13,-0.1 0.842 96.2-172.3 49.9 36.6 86.1 69.0 25.8 25 23 A R E < - 0 0 114 -3,-0.7 2,-0.3 14,-0.1 13,-0.2 -0.279 15.5-179.8 -64.4 139.4 82.5 68.5 26.7 26 24 A Q E -C 37 0A 135 11,-1.8 11,-2.0 -3,-0.1 2,-0.5 -0.954 18.4-134.6-135.6 155.0 81.4 67.9 30.3 27 25 A T E -C 36 0A 77 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.952 12.9-169.4-120.2 131.5 77.9 67.4 31.6 28 26 A I E -C 35 0A 50 7,-3.1 7,-3.2 -2,-0.5 2,-0.6 -0.963 6.5-160.8-117.3 130.9 76.4 69.0 34.7 29 27 A S E +C 34 0A 99 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.944 27.1 155.4-115.1 107.6 73.1 67.6 36.0 30 28 A L E > -C 33 0A 30 3,-1.8 3,-2.2 -2,-0.6 33,-0.1 -0.996 59.3 -7.9-141.9 135.3 71.3 70.1 38.2 31 29 A G T 3 S- 0 0 10 -2,-0.4 389,-0.1 1,-0.3 3,-0.1 0.761 127.3 -54.7 55.5 28.1 67.7 70.8 39.2 32 30 A G T 3 S+ 0 0 63 1,-0.3 -1,-0.3 388,-0.1 2,-0.3 0.569 119.6 107.5 84.2 7.9 66.5 68.2 36.8 33 31 A C E < -C 30 0A 6 -3,-2.2 -3,-1.8 386,-0.1 2,-0.4 -0.752 61.4-137.6-114.0 163.5 68.3 70.0 33.9 34 32 A E E -CD 29 49A 65 15,-1.3 15,-2.6 -2,-0.3 2,-0.4 -0.990 15.7-170.6-124.4 129.0 71.4 69.0 32.0 35 33 A I E -CD 28 48A 2 -7,-3.2 -7,-3.1 -2,-0.4 2,-0.5 -0.982 5.6-159.9-120.7 130.3 74.1 71.5 31.0 36 34 A Y E -CD 27 47A 3 11,-3.3 11,-3.0 -2,-0.4 2,-0.3 -0.940 11.8-171.1-111.1 125.7 76.9 70.7 28.6 37 35 A T E +CD 26 46A 25 -11,-2.0 -11,-1.8 -2,-0.5 2,-0.3 -0.782 34.6 81.4-113.3 160.9 80.0 72.9 28.7 38 36 A G E S- D 0 45A 2 7,-1.3 7,-3.2 -2,-0.3 2,-0.4 -0.966 75.8 -47.6 144.3-154.8 83.0 73.0 26.4 39 37 A Q E -CD 23 44A 39 -16,-2.0 -16,-3.4 -2,-0.3 2,-0.6 -0.906 27.8-156.7-122.2 145.3 83.7 74.7 23.1 40 38 A L E > S- D 0 43A 2 3,-2.9 3,-1.8 -2,-0.4 -18,-0.1 -0.958 91.3 -21.3-117.6 108.1 81.9 74.8 19.8 41 39 A N T 3 S- 0 0 94 -2,-0.6 -1,-0.2 -20,-0.4 3,-0.1 0.918 131.0 -50.6 57.7 41.2 84.3 75.6 17.0 42 40 A G T 3 S+ 0 0 52 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.315 114.1 117.9 81.6 -10.2 86.7 76.9 19.7 43 41 A T E < S- D 0 40A 18 -3,-1.8 -3,-2.9 -41,-0.0 2,-0.3 -0.794 71.5-113.8 -96.4 131.2 84.1 79.3 21.3 44 42 A E E +aD 4 39A 71 -41,-0.5 -39,-2.6 -2,-0.5 2,-0.3 -0.439 44.8 176.8 -62.9 122.4 83.2 78.6 24.9 45 43 A V E -aD 5 38A 1 -7,-3.2 -7,-1.3 -2,-0.3 2,-0.4 -0.883 29.0-157.9-128.6 159.8 79.5 77.5 25.2 46 44 A A E -aD 6 37A 0 -41,-2.0 -39,-3.1 -2,-0.3 2,-0.5 -0.945 19.8-166.9-137.5 109.3 77.1 76.3 27.9 47 45 A L E -aD 7 36A 2 -11,-3.0 -11,-3.3 -2,-0.4 2,-0.4 -0.915 1.8-164.3-106.2 119.9 74.2 74.3 26.4 48 46 A L E -aD 8 35A 0 -41,-3.2 -39,-2.7 -2,-0.5 2,-0.8 -0.881 17.1-154.4-110.4 134.3 71.2 73.6 28.5 49 47 A K E -aD 9 34A 35 -15,-2.6 -15,-1.3 -2,-0.4 -39,-0.2 -0.937 24.0-179.3-100.5 107.6 68.5 71.0 27.8 50 48 A S - 0 0 7 -41,-2.6 -40,-0.2 -2,-0.8 10,-0.2 0.809 27.9-122.7 -83.1 -30.9 65.6 72.7 29.8 51 49 A G - 0 0 27 -41,-1.4 2,-0.3 -42,-0.3 -1,-0.2 -0.359 46.6 -54.8 99.4 167.7 62.6 70.5 29.5 52 50 A I S S+ 0 0 22 296,-0.5 4,-0.4 -2,-0.2 3,-0.1 -0.615 89.8 25.3 -91.7 139.6 59.3 71.7 28.0 53 51 A G S > S- 0 0 1 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.167 89.3 -66.2 103.8 165.6 57.2 74.7 29.1 54 52 A K H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.872 126.6 43.1 -59.3 -46.6 57.5 78.1 30.8 55 53 A V H > S+ 0 0 2 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.903 113.8 50.0 -73.0 -40.2 58.5 76.9 34.2 56 54 A A H > S+ 0 0 8 -4,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.923 114.6 46.0 -63.9 -43.1 61.0 74.3 33.1 57 55 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 118,-0.2 -1,-0.2 0.891 113.2 49.5 -66.1 -39.0 62.6 76.9 30.8 58 56 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.939 111.6 48.2 -64.5 -46.9 62.6 79.5 33.6 59 57 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.948 116.2 44.4 -58.9 -49.8 64.2 77.1 36.1 60 58 A G H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.916 113.4 48.8 -61.9 -47.4 66.8 76.1 33.5 61 59 A A H X S+ 0 0 1 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.895 110.9 51.5 -60.9 -38.5 67.6 79.6 32.4 62 60 A T H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.925 112.2 46.3 -65.5 -41.9 67.9 80.8 36.0 63 61 A L H X S+ 0 0 1 -4,-2.1 4,-3.5 -5,-0.2 5,-0.4 0.926 112.5 49.7 -63.0 -49.0 70.4 77.9 36.7 64 62 A L H X>S+ 0 0 0 -4,-2.8 4,-2.3 3,-0.2 5,-0.5 0.906 114.4 44.7 -58.9 -43.6 72.4 78.6 33.6 65 63 A L H X5S+ 0 0 9 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.945 119.8 39.9 -66.9 -48.3 72.7 82.3 34.3 66 64 A E H <5S+ 0 0 46 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.902 126.4 35.3 -67.0 -43.2 73.5 81.9 38.0 67 65 A H H <5S+ 0 0 93 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.927 132.8 21.4 -80.3 -47.8 75.8 78.9 37.5 68 66 A C H <5S- 0 0 8 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.2 0.465 80.9-148.4-105.8 -2.4 77.5 79.6 34.2 69 67 A K << - 0 0 131 -4,-1.2 -4,-0.2 -5,-0.5 -65,-0.2 0.813 22.5-167.3 39.3 48.8 77.2 83.4 33.8 70 68 A P - 0 0 7 0, 0.0 -65,-0.2 0, 0.0 -1,-0.1 -0.274 22.8-133.5 -64.0 155.9 77.0 83.3 30.0 71 69 A D S S+ 0 0 83 -67,-2.9 2,-0.3 1,-0.2 -66,-0.2 0.794 85.4 7.5 -78.5 -31.0 77.3 86.7 28.2 72 70 A V E S-b 5 0A 16 -68,-0.9 -66,-2.5 117,-0.1 2,-0.4 -0.950 70.1-134.6-144.4 164.1 74.4 86.1 25.9 73 71 A I E -be 6 191A 1 117,-2.3 119,-1.6 -2,-0.3 2,-0.5 -0.982 10.5-167.8-127.3 134.0 71.7 83.6 25.5 74 72 A I E -be 7 192A 0 -68,-2.6 -66,-2.7 -2,-0.4 2,-0.6 -0.987 11.7-151.6-120.7 123.4 70.5 81.9 22.3 75 73 A N E -be 8 193A 3 117,-2.5 119,-2.5 -2,-0.5 2,-0.2 -0.878 22.3-175.5 -98.2 117.4 67.2 80.0 22.5 76 74 A T E + e 0 194A 0 -68,-2.3 -66,-0.4 -2,-0.6 2,-0.3 -0.630 26.3 70.0-109.2 163.9 67.2 77.2 19.9 77 75 A G E S- e 0 195A 0 117,-0.5 119,-2.5 -2,-0.2 2,-0.2 -0.907 72.0 -35.3 134.8-160.4 64.6 74.6 18.7 78 76 A S E - e 0 196A 7 -2,-0.3 2,-0.3 117,-0.2 119,-0.2 -0.504 43.8-179.6-101.4 169.1 61.3 74.2 16.8 79 77 A A E - e 0 197A 3 117,-1.1 119,-2.2 -2,-0.2 120,-0.9 -0.969 34.9-103.0-161.9 159.9 58.2 76.4 16.6 80 78 A G E -Fe 173 199A 4 93,-2.8 93,-2.0 -2,-0.3 2,-0.3 -0.787 43.9-125.8 -88.4 127.3 54.8 76.5 14.9 81 79 A G E +F 172 0A 3 118,-3.7 91,-0.3 -2,-0.5 90,-0.1 -0.579 37.6 164.3 -78.7 134.5 54.9 78.8 12.0 82 80 A L + 0 0 9 89,-3.0 90,-0.2 -2,-0.3 89,-0.2 0.661 49.2 88.9-117.2 -31.2 52.4 81.6 11.9 83 81 A A S > S- 0 0 15 88,-1.8 3,-2.0 1,-0.1 88,-0.1 -0.538 81.3-122.4 -73.0 134.4 53.7 84.1 9.3 84 82 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.758 104.6 54.1 -44.6 -44.8 52.4 83.3 5.7 85 83 A T T 3 S+ 0 0 97 2,-0.0 2,-0.4 57,-0.0 -2,-0.1 0.450 84.5 110.7 -78.4 2.5 55.8 82.9 3.9 86 84 A L < + 0 0 14 -3,-2.0 2,-0.3 85,-0.1 -5,-0.0 -0.648 42.4 179.5 -84.2 131.7 57.1 80.3 6.4 87 85 A K > - 0 0 156 -2,-0.4 3,-2.1 54,-0.1 110,-0.3 -0.764 46.4 -72.0-118.4 166.4 57.5 76.7 5.3 88 86 A V T 3 S+ 0 0 34 -2,-0.3 110,-0.2 1,-0.3 3,-0.1 -0.385 122.4 27.3 -60.5 131.3 58.7 73.8 7.4 89 87 A G T 3 S+ 0 0 9 108,-2.3 -1,-0.3 1,-0.4 109,-0.1 0.088 91.1 128.3 103.4 -21.4 62.5 74.2 8.0 90 88 A D < - 0 0 26 -3,-2.1 107,-2.3 106,-0.1 -1,-0.4 -0.217 58.0-111.6 -68.8 160.2 62.5 78.0 7.7 91 89 A I E -gH 142 196A 1 50,-2.3 52,-1.9 105,-0.2 2,-0.4 -0.698 21.8-165.1 -96.7 141.8 64.1 80.2 10.4 92 90 A V E -gH 143 195A 0 103,-2.5 103,-1.9 -2,-0.3 2,-0.5 -0.996 5.4-166.4-124.8 130.3 62.3 82.6 12.8 93 91 A V E -gH 144 194A 0 50,-2.5 52,-2.1 -2,-0.4 2,-0.3 -0.970 18.7-130.1-117.8 129.2 64.3 85.1 14.6 94 92 A S E +g 145 0A 0 99,-2.3 99,-0.3 -2,-0.5 52,-0.2 -0.571 30.2 171.7 -80.4 135.3 62.8 87.0 17.5 95 93 A D E S+ 0 0 58 50,-2.2 28,-1.4 1,-0.5 2,-0.3 0.476 83.5 4.4-107.8 -9.7 62.9 90.7 17.7 96 94 A E E -gI 146 122A 34 49,-1.0 51,-2.4 26,-0.3 -1,-0.5 -0.982 64.2-147.7-165.7 154.5 60.5 90.3 20.7 97 95 A A E +gI 147 121A 0 24,-1.9 24,-2.7 -2,-0.3 2,-0.3 -0.996 17.1 173.5-133.9 136.0 58.8 87.7 22.9 98 96 A R E -g 148 0A 38 49,-1.6 51,-1.8 -2,-0.4 2,-0.4 -0.990 35.4-114.6-140.8 144.8 55.4 87.8 24.6 99 97 A Y E -g 149 0A 4 13,-0.7 3,-0.4 -2,-0.3 51,-0.2 -0.664 20.7-164.8 -75.8 127.2 53.3 85.3 26.5 100 98 A H S S+ 0 0 19 49,-2.5 50,-0.2 -2,-0.4 -1,-0.1 0.611 86.4 50.0 -90.3 -8.3 50.1 84.6 24.5 101 99 A D S S+ 0 0 27 48,-0.8 2,-0.5 11,-0.1 283,-0.2 0.218 81.9 104.1-111.8 13.1 48.5 82.9 27.5 102 100 A A + 0 0 0 -3,-0.4 10,-2.1 281,-0.1 2,-0.3 -0.827 42.6 175.2 -96.8 132.9 49.0 85.5 30.3 103 101 A D B +k 385 0B 47 281,-2.5 283,-2.5 -2,-0.5 3,-0.1 -0.779 27.9 140.8-146.5 101.6 45.9 87.6 31.2 104 102 A V > > + 0 0 5 9,-0.4 3,-1.6 6,-0.4 5,-1.4 -0.184 36.2 127.2-122.5 33.3 45.7 90.1 34.0 105 103 A T G > 5 + 0 0 66 1,-0.3 3,-2.5 3,-0.2 -1,-0.1 0.769 57.5 75.3 -62.8 -26.3 43.6 92.5 31.9 106 104 A A G 3 5S+ 0 0 27 1,-0.3 -1,-0.3 280,-0.2 -2,-0.1 0.778 100.9 44.4 -57.9 -26.1 41.0 92.6 34.6 107 105 A F G < 5S- 0 0 50 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.231 127.3 -97.5-102.5 13.5 43.5 94.8 36.4 108 106 A G T < 5S+ 0 0 71 -3,-2.5 -3,-0.2 1,-0.3 2,-0.2 0.600 76.3 138.4 86.3 9.0 44.4 97.0 33.4 109 107 A Y < - 0 0 87 -5,-1.4 -1,-0.3 1,-0.1 3,-0.1 -0.557 63.6 -94.0 -84.3 158.5 47.6 95.3 32.3 110 108 A E > - 0 0 101 -2,-0.2 3,-2.3 1,-0.1 -6,-0.4 -0.366 52.9 -89.4 -66.9 146.4 48.1 94.7 28.6 111 109 A Y T 3 S+ 0 0 41 1,-0.3 -8,-0.2 -8,-0.1 -1,-0.1 -0.388 117.6 20.0 -57.8 134.9 47.0 91.3 27.3 112 110 A G T 3 S+ 0 0 1 -10,-2.1 -13,-0.7 1,-0.3 2,-0.3 0.219 100.3 117.9 90.0 -15.3 49.9 88.9 27.7 113 111 A Q < - 0 0 40 -3,-2.3 -9,-0.4 -11,-0.2 -1,-0.3 -0.650 53.5-149.3 -87.3 140.3 51.7 91.1 30.2 114 112 A L > - 0 0 4 4,-0.4 3,-2.0 -2,-0.3 -4,-0.1 -0.880 36.0 -97.0-104.8 143.0 52.4 90.0 33.8 115 113 A P T 3 S+ 0 0 15 0, 0.0 170,-0.5 0, 0.0 -1,-0.0 -0.316 113.5 28.9 -55.1 135.7 52.4 92.7 36.6 116 114 A G T 3 S+ 0 0 84 1,-0.3 -3,-0.0 168,-0.1 0, 0.0 0.330 109.6 87.3 93.1 -7.4 56.0 93.8 37.2 117 115 A C S < S- 0 0 14 -3,-2.0 -1,-0.3 4,-0.0 2,-0.1 -0.849 84.6-104.8-123.8 159.2 57.1 93.0 33.6 118 116 A P - 0 0 50 0, 0.0 -4,-0.4 0, 0.0 3,-0.0 -0.470 42.5-109.1 -73.7 157.0 57.2 94.9 30.4 119 117 A A S S+ 0 0 16 -6,-0.2 2,-0.3 -2,-0.1 -20,-0.3 0.762 101.2 12.6 -59.7 -25.8 54.3 93.7 28.1 120 118 A G S S- 0 0 10 -22,-0.1 2,-0.5 -7,-0.1 -22,-0.2 -0.966 76.5-124.4-147.5 158.0 56.9 92.1 25.8 121 119 A F E -I 97 0A 5 -24,-2.7 -24,-1.9 -2,-0.3 2,-0.4 -0.936 26.0-135.9-112.8 120.9 60.7 91.3 26.1 122 120 A K E -I 96 0A 173 -2,-0.5 -26,-0.3 -26,-0.2 69,-0.3 -0.618 12.0-133.0 -82.7 129.4 62.9 92.7 23.4 123 121 A A - 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0 0 56 -120,-0.3 -120,-0.1 -2,-0.3 3,-0.1 -0.033 54.2-111.5-110.3 28.1 52.1 75.5 11.1 201 199 A A S S+ 0 0 0 1,-0.1 -45,-2.8 -47,-0.1 -41,-0.1 0.684 77.6 123.3 54.1 23.5 50.2 75.1 14.4 202 200 A D S > S- 0 0 54 -47,-0.3 3,-2.2 -46,-0.1 4,-0.3 -0.257 85.9 -70.3-101.3-169.1 47.1 73.8 12.7 203 201 A Q T 3 S+ 0 0 142 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.700 135.2 52.5 -56.6 -16.9 45.0 70.6 13.0 204 202 A Q T >> S+ 0 0 107 1,-0.2 4,-2.6 2,-0.1 3,-0.9 0.561 77.9 101.1 -93.1 -12.3 48.0 68.8 11.4 205 203 A S H <> S+ 0 0 0 -3,-2.2 4,-2.9 1,-0.3 5,-0.2 0.776 75.6 58.4 -45.1 -38.5 50.6 70.2 13.8 206 204 A H H 3> S+ 0 0 55 -4,-0.3 4,-1.9 -3,-0.3 -1,-0.3 0.942 114.4 36.1 -58.3 -50.4 50.7 67.0 15.8 207 205 A L H <> S+ 0 0 90 -3,-0.9 4,-1.8 2,-0.2 -2,-0.2 0.932 117.1 52.0 -69.8 -45.8 51.7 64.9 12.8 208 206 A S H X S+ 0 0 22 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.926 109.2 51.6 -56.9 -46.1 53.9 67.5 11.2 209 207 A F H X S+ 0 0 26 -4,-2.9 4,-1.7 -5,-0.3 -1,-0.2 0.946 109.3 48.9 -56.7 -51.9 55.8 67.9 14.5 210 208 A D H < S+ 0 0 92 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.805 119.8 39.6 -59.8 -28.9 56.5 64.2 14.8 211 209 A E H < S+ 0 0 124 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.827 125.3 29.7 -92.6 -34.0 57.7 64.1 11.2 212 210 A F H X S+ 0 0 82 -4,-3.3 4,-2.4 -14,-0.3 5,-0.2 0.325 84.0 100.6-110.9 6.6 59.7 67.3 10.8 213 211 A L H X S+ 0 0 19 -4,-1.7 4,-2.6 -5,-0.3 5,-0.2 0.924 86.0 52.4 -56.2 -43.1 61.0 68.0 14.3 214 212 A A H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.876 108.6 50.5 -60.4 -39.3 64.4 66.5 13.1 215 213 A V H > S+ 0 0 61 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.907 111.5 46.3 -66.2 -43.2 64.4 68.9 10.2 216 214 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.927 112.8 51.2 -64.2 -43.1 63.7 72.0 12.3 217 215 A A H X S+ 0 0 2 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.885 111.0 48.1 -59.5 -43.8 66.4 70.8 14.8 218 216 A K H X S+ 0 0 136 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.957 114.9 44.3 -64.1 -50.5 68.9 70.4 12.0 219 217 A Q H X S+ 0 0 50 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.897 116.2 46.3 -63.8 -38.8 68.1 73.8 10.5 220 218 A S H X S+ 0 0 0 -4,-3.1 4,-2.8 -5,-0.2 -1,-0.2 0.942 111.3 51.9 -70.7 -42.4 68.1 75.6 13.8 221 219 A S H X S+ 0 0 1 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.846 108.2 51.7 -59.1 -38.6 71.3 73.9 15.0 222 220 A L H X S+ 0 0 62 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.944 111.0 48.6 -63.5 -48.0 73.1 75.0 11.8 223 221 A M H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.926 111.7 49.1 -57.2 -46.6 71.9 78.6 12.4 224 222 A V H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.930 110.7 49.6 -61.2 -46.7 73.1 78.4 16.0 225 223 A E H X S+ 0 0 31 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.956 114.5 44.8 -56.6 -51.5 76.6 77.1 15.0 226 224 A S H X S+ 0 0 31 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.879 113.5 51.4 -60.4 -37.8 77.0 79.8 12.4 227 225 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.2 -1,-0.2 0.912 107.6 50.9 -67.4 -41.7 75.7 82.4 14.9 228 226 A V H X S+ 0 0 2 -4,-3.0 4,-1.6 2,-0.2 -2,-0.2 0.955 114.4 45.0 -58.9 -48.6 78.2 81.3 17.6 229 227 A Q H X>S+ 0 0 81 -4,-2.2 4,-2.0 -5,-0.2 5,-0.6 0.946 113.3 50.1 -58.4 -53.0 81.0 81.6 15.1 230 228 A K H X5S+ 0 0 27 -4,-3.0 4,-2.3 1,-0.2 3,-0.2 0.917 109.9 50.5 -51.5 -50.5 79.7 84.9 13.8 231 229 A L H <5S+ 0 0 44 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.801 115.7 41.5 -61.4 -32.6 79.4 86.4 17.3 232 230 A A H <5S+ 0 0 39 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.698 135.7 9.1 -91.2 -20.1 82.9 85.4 18.3 233 231 A H H <5 0 0 76 -4,-2.0 -3,-0.2 -3,-0.2 -2,-0.2 0.596 360.0 360.0-134.5 -19.4 84.8 86.3 15.0 234 232 A G << 0 0 85 -4,-2.3 -1,-0.2 -5,-0.6 -2,-0.1 -0.437 360.0 360.0 103.7 360.0 82.6 88.2 12.6 235 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 236 1 B M 0 0 119 0, 0.0 2,-0.5 0, 0.0 41,-0.5 0.000 360.0 360.0 360.0 155.0 66.4 74.0 60.0 237 2 B K - 0 0 62 65,-0.2 67,-3.4 39,-0.1 68,-0.9 -0.964 360.0-154.4-119.2 124.4 65.8 76.7 57.4 238 3 B I E -mn 278 305D 0 39,-2.4 41,-2.0 -2,-0.5 2,-0.3 -0.859 6.2-148.9-103.5 123.9 62.3 77.4 56.2 239 4 B G E -mn 279 306D 0 66,-2.8 68,-2.2 -2,-0.6 2,-0.4 -0.694 13.5-170.9 -88.1 139.2 61.8 79.0 52.8 240 5 B I E -mn 280 307D 1 39,-2.7 41,-3.3 -2,-0.3 2,-0.5 -0.998 1.4-168.2-131.8 129.5 58.8 81.2 52.4 241 6 B I E +mn 281 308D 0 66,-2.3 68,-2.5 -2,-0.4 2,-0.3 -0.974 10.6 168.6-124.9 126.4 57.6 82.6 49.0 242 7 B G E -m 282 0D 0 39,-2.6 41,-2.5 -2,-0.5 42,-0.4 -0.956 24.6-147.5-129.8 149.6 55.0 85.3 48.5 243 8 B A S S+ 0 0 4 66,-0.4 41,-1.4 -2,-0.3 2,-0.2 0.943 72.5 41.7 -84.7 -48.0 54.3 87.1 45.2 244 9 B M S >> S- 0 0 33 40,-0.1 4,-1.0 39,-0.1 3,-0.6 -0.602 80.5-112.2-104.8 159.8 53.3 90.7 46.1 245 10 B E H >> S+ 0 0 79 1,-0.3 4,-2.5 -2,-0.2 3,-1.4 0.932 118.9 55.0 -50.1 -51.6 54.5 93.3 48.6 246 11 B E H 34 S+ 0 0 90 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.828 106.5 52.0 -52.0 -38.6 51.2 92.9 50.5 247 12 B E H <4 S+ 0 0 0 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.643 121.0 28.9 -78.2 -13.9 51.8 89.2 50.9 248 13 B V H S+ 0 0 55 -4,-0.5 4,-0.7 2,-0.2 -1,-0.2 0.925 117.3 42.2 -64.5 -43.3 54.1 91.6 57.5 251 16 B L H >> S+ 0 0 2 1,-0.2 4,-1.0 2,-0.2 3,-1.0 0.910 112.7 54.4 -67.6 -41.9 56.5 88.6 57.6 252 17 B R H >< S+ 0 0 33 -4,-3.0 3,-0.9 1,-0.3 -2,-0.2 0.917 104.4 55.4 -57.7 -43.2 59.4 90.8 56.3 253 18 B D H 3< S+ 0 0 105 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.721 108.5 49.5 -62.8 -22.0 58.8 93.3 59.2 254 19 B K H << S+ 0 0 88 -3,-1.0 20,-0.4 -4,-0.7 2,-0.4 0.626 80.8 108.4 -94.4 -14.2 59.2 90.5 61.7 255 20 B I << - 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