==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 07-JUN-11 3SCF . COMPND 2 MOLECULE: EPOXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES WEDMORENSIS; . AUTHOR C.L.DRENNAN . 579 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30415.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 402 69.4 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 . 143 24.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.6 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 . 62 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 0 3 3 0 3 0 0 0 0 3 0 0 0 0 0 0 0 0 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 . 4 1 2 4 5 4 5 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 . 1 2 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 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 6 A T > 0 0 138 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 86.1 104.3 80.0 28.2 2 7 A A H > + 0 0 15 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.957 360.0 47.1 -60.9 -51.6 101.7 77.6 26.7 3 8 A S H > S+ 0 0 28 1,-0.2 4,-3.2 2,-0.2 38,-0.3 0.928 111.6 50.3 -56.7 -49.1 101.0 79.9 23.8 4 9 A T H > S+ 0 0 58 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.932 112.2 48.0 -57.1 -46.9 104.7 80.5 23.1 5 10 A G H X S+ 0 0 7 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.960 113.7 45.7 -57.5 -54.5 105.4 76.8 23.1 6 11 A F H X S+ 0 0 2 -4,-2.9 4,-3.2 1,-0.2 5,-0.4 0.907 110.5 56.4 -54.2 -44.5 102.4 76.0 20.8 7 12 A A H X S+ 0 0 7 -4,-3.2 4,-1.3 -5,-0.2 -1,-0.2 0.891 113.6 37.9 -56.7 -48.4 103.5 78.9 18.6 8 13 A E H X S+ 0 0 129 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.897 119.3 48.1 -67.4 -42.3 107.0 77.4 18.1 9 14 A L H X S+ 0 0 53 -4,-3.2 4,-2.4 56,-0.3 -2,-0.2 0.850 109.4 51.3 -70.4 -37.2 105.8 73.8 17.9 10 15 A L H X S+ 0 0 0 -4,-3.2 4,-2.9 55,-0.2 5,-0.2 0.942 109.6 51.6 -63.0 -48.5 103.0 74.5 15.4 11 16 A K H X S+ 0 0 88 -4,-1.3 4,-2.3 -5,-0.4 5,-0.3 0.945 110.7 47.8 -53.6 -53.3 105.4 76.3 13.1 12 17 A D H X S+ 0 0 92 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.969 113.7 45.4 -53.1 -61.7 107.8 73.4 13.2 13 18 A R H X S+ 0 0 11 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.852 110.3 55.1 -52.2 -42.0 105.2 70.7 12.5 14 19 A R H <>S+ 0 0 15 -4,-2.9 5,-1.2 1,-0.2 3,-0.2 0.974 113.7 39.4 -56.7 -55.4 103.6 72.8 9.7 15 20 A E H ><5S+ 0 0 96 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.884 110.1 63.1 -60.9 -38.6 106.9 73.2 7.8 16 21 A Q H 3<5S+ 0 0 62 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.917 109.9 37.5 -53.0 -48.6 107.8 69.6 8.7 17 22 A V T 3<5S- 0 0 1 -4,-2.3 -1,-0.3 -3,-0.2 -2,-0.2 0.069 120.6-109.6 -94.1 24.5 104.8 68.3 6.7 18 23 A K T < 5 + 0 0 41 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.921 66.1 141.9 48.5 66.5 105.2 70.9 4.0 19 24 A M < - 0 0 15 -5,-1.2 2,-0.2 -6,-0.1 -1,-0.2 -0.990 37.6-148.2-135.1 141.2 102.3 73.3 4.5 20 25 A D > - 0 0 64 -2,-0.4 4,-2.2 1,-0.1 5,-0.3 -0.614 42.6 -93.8 -99.6 166.2 102.1 77.0 4.2 21 26 A H H > S+ 0 0 60 1,-0.2 4,-3.0 -2,-0.2 5,-0.2 0.875 128.1 50.8 -46.1 -41.9 99.7 79.1 6.3 22 27 A A H > S+ 0 0 44 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 106.1 52.3 -64.1 -47.1 97.2 78.9 3.5 23 28 A A H > S+ 0 0 37 -3,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.936 117.1 40.1 -54.4 -50.0 97.4 75.1 3.1 24 29 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 5,-0.2 0.950 108.9 56.6 -65.8 -55.3 96.7 74.7 6.8 25 30 A A H X>S+ 0 0 1 -4,-3.0 5,-3.3 -5,-0.3 4,-0.9 0.860 107.1 54.5 -45.8 -39.3 94.1 77.4 7.3 26 31 A S H ><5S+ 0 0 78 -4,-2.0 3,-1.9 1,-0.2 -1,-0.2 0.981 104.3 49.4 -60.1 -62.1 92.1 75.7 4.5 27 32 A L H 3<5S+ 0 0 69 -4,-1.5 444,-0.5 1,-0.3 -1,-0.2 0.750 118.2 44.3 -50.3 -24.7 92.0 72.3 6.1 28 33 A L H 3<5S- 0 0 8 -4,-1.6 -1,-0.3 442,-0.1 -2,-0.2 0.530 110.2-117.6-100.1 -8.5 90.9 74.0 9.3 29 34 A G T <<5S+ 0 0 53 -3,-1.9 2,-0.2 -4,-0.9 -3,-0.2 0.853 76.3 118.7 73.8 33.3 88.3 76.4 7.9 30 35 A E < - 0 0 71 -5,-3.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.709 67.7 -99.8-122.8 174.2 90.4 79.4 9.0 31 36 A T >> - 0 0 68 -2,-0.2 4,-1.6 1,-0.1 3,-1.0 -0.753 27.7-120.9 -98.2 145.4 92.1 82.3 7.3 32 37 A P H 3> S+ 0 0 47 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.870 114.7 60.8 -51.4 -33.6 95.9 82.3 6.7 33 38 A E H 3> S+ 0 0 130 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.914 103.2 50.6 -61.6 -41.0 96.1 85.5 8.8 34 39 A T H <> S+ 0 0 37 -3,-1.0 4,-2.3 2,-0.2 3,-0.3 0.984 109.9 47.4 -59.1 -60.5 94.7 83.5 11.7 35 40 A V H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.3 -2,-0.2 0.918 112.4 50.8 -46.5 -50.9 97.2 80.6 11.4 36 41 A A H < S+ 0 0 42 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.897 108.2 54.2 -55.0 -41.9 100.0 83.2 11.0 37 42 A A H ><>S+ 0 0 24 -4,-2.3 3,-2.9 -3,-0.3 5,-1.0 0.973 103.5 53.9 -56.0 -57.6 98.7 84.8 14.2 38 43 A W H ><>S+ 0 0 17 -4,-2.3 3,-3.0 1,-0.3 5,-0.5 0.848 96.3 65.6 -44.6 -44.3 98.9 81.6 16.2 39 44 A E T 3<5S+ 0 0 25 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.438 98.3 59.2 -61.4 0.7 102.5 81.2 15.3 40 45 A N T < 5S- 0 0 130 -3,-2.9 -1,-0.3 -32,-0.0 -2,-0.2 0.263 125.9 -99.5-108.5 6.3 102.8 84.4 17.4 41 46 A G T X 5S+ 0 0 18 -3,-3.0 3,-1.0 -38,-0.3 -3,-0.2 0.487 91.2 124.2 83.3 4.4 101.5 82.9 20.6 42 47 A E T 3 < + 0 0 138 -5,-1.0 3,-0.3 1,-0.2 -4,-0.2 0.227 51.6 84.3 -77.2 14.5 98.1 84.5 19.8 43 48 A G T > < + 0 0 1 -5,-0.5 3,-3.5 -6,-0.2 199,-0.4 0.496 49.5 110.7 -96.5 -2.7 96.5 81.1 20.1 44 49 A G T < S+ 0 0 9 -3,-1.0 199,-1.6 1,-0.3 198,-0.8 0.702 74.4 57.8 -42.5 -28.3 96.1 81.1 23.9 45 50 A E T 3 S+ 0 0 146 -3,-0.3 -1,-0.3 196,-0.2 -2,-0.1 0.435 78.3 121.2 -88.3 3.6 92.4 81.3 23.5 46 51 A L < - 0 0 9 -3,-3.5 196,-1.0 195,-0.1 2,-0.2 -0.340 60.7-124.6 -66.5 145.6 92.1 78.1 21.5 47 52 A T B > -A 241 0A 10 194,-0.2 4,-2.7 1,-0.1 5,-0.3 -0.507 19.8-108.9 -91.0 162.8 89.9 75.4 22.9 48 53 A L H > S+ 0 0 0 192,-1.3 4,-1.6 189,-0.4 191,-0.2 0.855 119.7 49.9 -54.0 -39.4 90.8 71.8 23.7 49 54 A T H > S+ 0 0 52 189,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.901 110.3 48.6 -69.8 -40.8 88.7 70.6 20.8 50 55 A Q H > S+ 0 0 53 188,-0.3 4,-3.3 2,-0.2 5,-0.2 0.952 111.2 48.9 -63.2 -49.1 90.2 73.0 18.3 51 56 A L H X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.3 -1,-0.2 0.889 109.6 56.7 -55.8 -36.6 93.7 72.1 19.4 52 57 A G H X S+ 0 0 17 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.3 0.916 109.7 42.3 -61.5 -42.8 92.4 68.6 18.9 53 58 A R H X S+ 0 0 52 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.908 110.5 55.5 -72.0 -42.4 91.4 69.3 15.3 54 59 A I H X S+ 0 0 3 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.907 108.5 50.1 -55.1 -42.7 94.6 71.2 14.5 55 60 A A H <>S+ 0 0 4 -4,-2.2 5,-2.4 -5,-0.2 -1,-0.2 0.961 108.1 52.2 -59.2 -53.5 96.6 68.2 15.6 56 61 A H H ><5S+ 0 0 66 -4,-1.8 3,-2.3 1,-0.2 -2,-0.2 0.922 109.6 49.0 -48.1 -53.5 94.5 65.8 13.5 57 62 A V H 3<5S+ 0 0 15 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.904 112.5 47.2 -54.8 -46.3 95.1 68.0 10.4 58 63 A L T 3<5S- 0 0 0 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.219 113.8-125.7 -80.3 13.3 98.8 68.1 11.1 59 64 A G T < 5S+ 0 0 14 -3,-2.3 -3,-0.2 1,-0.2 244,-0.2 0.740 77.3 91.7 47.7 31.5 98.5 64.3 11.6 60 65 A T S - 0 0 27 -2,-0.2 4,-1.1 202,-0.1 5,-0.2 -0.817 26.4-116.4-123.1 157.6 99.0 64.9 18.7 62 67 A I H >> S+ 0 0 8 199,-0.5 4,-1.4 -2,-0.3 3,-0.7 0.899 118.1 56.1 -57.2 -40.4 98.2 67.8 21.0 63 68 A G H >4 S+ 0 0 19 198,-0.4 3,-1.3 194,-0.3 194,-0.3 0.960 102.7 53.5 -55.4 -52.8 101.1 66.7 23.1 64 69 A A H 34 S+ 0 0 50 1,-0.3 -1,-0.3 193,-0.1 -2,-0.2 0.735 113.9 44.4 -55.4 -23.6 103.5 67.0 20.2 65 70 A L H << S+ 0 0 3 -4,-1.1 -56,-0.3 -3,-0.7 -1,-0.3 0.598 104.3 73.1 -98.8 -12.5 102.2 70.5 19.7 66 71 A T S << S- 0 0 9 -4,-1.4 -64,-0.1 -3,-1.3 -63,-0.1 -0.676 85.4-105.5 -99.5 159.0 102.3 71.6 23.3 67 72 A P - 0 0 30 0, 0.0 189,-0.4 0, 0.0 190,-0.4 -0.290 41.9 -82.0 -80.2 163.9 105.5 72.4 25.3 68 73 A P - 0 0 113 0, 0.0 3,-0.1 0, 0.0 40,-0.1 -0.205 51.1 -97.3 -59.9 154.7 107.2 70.3 28.0 69 74 A A - 0 0 25 38,-0.2 2,-0.2 1,-0.2 185,-0.1 0.720 68.0-118.8 -47.9 -25.0 105.8 70.6 31.6 70 75 A G - 0 0 35 37,-0.2 2,-0.4 183,-0.1 -1,-0.2 -0.468 25.9 -75.5 109.4 176.0 108.5 73.1 32.3 71 76 A N + 0 0 94 -2,-0.2 35,-0.0 -3,-0.1 0, 0.0 -0.965 39.1 161.8-122.9 130.5 111.4 73.3 34.8 72 77 A D + 0 0 66 -2,-0.4 2,-0.3 2,-0.0 -1,-0.1 0.209 34.0 130.6-126.2 12.9 111.2 74.0 38.5 73 78 A L - 0 0 48 1,-0.1 2,-1.7 3,-0.1 5,-0.2 -0.521 58.1-133.4 -74.8 131.8 114.5 72.6 39.7 74 79 A D S S- 0 0 131 3,-3.4 -1,-0.1 -2,-0.3 -2,-0.0 -0.649 89.0 -40.0 -83.6 84.8 116.6 74.9 42.0 75 80 A D S S- 0 0 159 -2,-1.7 -1,-0.3 1,-0.2 3,-0.1 0.814 130.3 -34.4 61.2 30.2 119.9 74.4 40.1 76 81 A G S S+ 0 0 46 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.538 125.5 83.5 104.2 11.8 118.8 70.7 39.8 77 82 A V - 0 0 77 -5,-0.1 -3,-3.4 2,-0.0 2,-0.4 -0.992 47.2-165.6-148.8 152.6 117.0 70.2 43.1 78 83 A I - 0 0 56 -2,-0.3 2,-0.4 -5,-0.2 26,-0.1 -0.992 13.5-162.9-134.1 139.5 113.7 70.6 44.9 79 84 A I - 0 0 103 -2,-0.4 2,-0.5 2,-0.0 -2,-0.0 -0.975 4.0-163.7-126.1 140.0 113.2 70.3 48.7 80 85 A Q - 0 0 42 -2,-0.4 24,-0.2 24,-0.1 5,-0.1 -0.982 16.1-139.7-125.0 120.8 110.0 69.8 50.6 81 86 A M > - 0 0 102 -2,-0.5 3,-1.1 1,-0.1 -2,-0.0 -0.594 25.3-114.5 -79.0 140.2 109.9 70.5 54.3 82 87 A P G > S+ 0 0 85 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.769 111.2 50.4 -37.6 -51.0 107.9 68.0 56.4 83 88 A D G 3 S+ 0 0 146 1,-0.2 -3,-0.0 0, 0.0 -2,-0.0 0.839 103.9 59.6 -66.0 -34.4 105.2 70.4 57.6 84 89 A E G < S+ 0 0 109 -3,-1.1 -1,-0.2 2,-0.0 -3,-0.1 0.033 76.2 118.4 -86.3 28.4 104.4 71.6 54.0 85 90 A R < - 0 0 69 -3,-1.0 18,-0.1 -5,-0.1 17,-0.1 -0.864 69.6-112.0-103.5 116.9 103.5 68.2 52.6 86 91 A P - 0 0 67 0, 0.0 16,-1.5 0, 0.0 2,-0.4 0.031 28.2-148.7 -40.4 138.2 99.9 67.8 51.3 87 92 A I - 0 0 106 14,-0.2 2,-0.3 12,-0.0 14,-0.2 -0.905 13.3-174.7-116.0 144.5 97.6 65.5 53.2 88 93 A L - 0 0 22 12,-0.4 12,-1.2 -2,-0.4 10,-0.1 -0.817 17.8-142.9-146.4 105.0 94.8 63.4 51.7 89 94 A K E -B 99 0B 71 -2,-0.3 2,-0.5 10,-0.2 10,-0.2 -0.382 19.7-156.5 -62.9 137.1 92.2 61.3 53.6 90 95 A G E -B 98 0B 18 8,-1.8 7,-2.9 -2,-0.0 8,-1.3 -0.923 11.3-176.0-125.5 109.6 91.5 58.1 51.7 91 96 A V E -B 96 0B 75 -2,-0.5 2,-0.9 5,-0.2 5,-0.2 -0.880 17.1-158.3-109.0 125.5 88.2 56.3 52.2 92 97 A R S S- 0 0 58 3,-2.4 -2,-0.0 -2,-0.5 36,-0.0 -0.841 93.8 -21.4 -98.7 99.6 87.2 53.0 50.6 93 98 A D S S- 0 0 144 -2,-0.9 -1,-0.2 1,-0.2 3,-0.1 0.894 130.5 -49.7 62.1 45.0 83.4 53.1 51.0 94 99 A N S S+ 0 0 140 1,-0.2 2,-0.7 -3,-0.2 -1,-0.2 0.722 109.8 130.3 67.7 26.2 83.8 55.6 53.8 95 100 A V - 0 0 63 26,-0.0 -3,-2.4 0, 0.0 2,-0.7 -0.947 65.6-126.6-111.9 110.1 86.4 53.4 55.5 96 101 A D E +B 91 0B 95 -2,-0.7 -5,-0.2 -5,-0.2 25,-0.1 -0.421 47.2 159.7 -58.7 103.3 89.4 55.5 56.4 97 102 A Y E - 0 0 3 -7,-2.9 23,-2.5 -2,-0.7 24,-0.7 0.899 53.8 -0.3 -96.8 -58.9 92.0 53.3 54.7 98 103 A Y E -B 90 0B 15 -8,-1.3 -8,-1.8 21,-0.2 2,-0.3 -0.680 53.1-145.4-125.1-179.4 95.1 55.4 54.1 99 104 A V E -B 89 0B 27 -2,-0.2 19,-2.1 -10,-0.2 2,-0.8 -0.962 20.5-140.1-147.7 129.5 96.3 58.9 54.6 100 105 A Y E -C 117 0C 19 -12,-1.2 2,-1.5 -2,-0.3 -12,-0.4 -0.811 17.0-175.4-109.7 106.2 98.6 60.5 52.1 101 106 A N E -C 116 0C 21 15,-2.4 15,-1.1 -2,-0.8 -14,-0.2 -0.618 29.4-147.9 -94.0 76.0 101.5 62.6 53.2 102 107 A C E -C 115 0C 3 -2,-1.5 13,-0.2 -16,-1.5 3,-0.1 -0.163 12.0-154.5 -50.4 125.9 102.6 63.6 49.7 103 108 A L - 0 0 39 11,-2.1 -1,-0.1 1,-0.2 -22,-0.1 -0.138 40.6 -43.4 -91.5-172.0 106.3 64.2 49.2 104 109 A V - 0 0 49 -24,-0.2 2,-0.2 -26,-0.1 -1,-0.2 -0.287 57.8-174.0 -59.5 131.8 108.4 66.3 46.8 105 110 A R - 0 0 56 8,-0.1 2,-0.3 -3,-0.1 8,-0.1 -0.672 4.1-159.5-117.8 172.5 107.3 66.2 43.2 106 111 A T > - 0 0 20 3,-0.4 3,-1.6 6,-0.4 6,-0.3 -0.950 27.7-140.8-161.0 139.4 108.8 67.7 40.0 107 112 A K T 3 S+ 0 0 31 -2,-0.3 -38,-0.2 1,-0.3 -37,-0.2 0.732 104.0 67.9 -69.5 -21.8 107.8 68.7 36.5 108 113 A R T 3 S+ 0 0 148 1,-0.3 -1,-0.3 -39,-0.1 -37,-0.1 0.606 121.4 16.1 -70.9 -10.0 111.1 67.4 35.2 109 114 A A X + 0 0 38 -3,-1.6 3,-1.4 144,-0.1 -3,-0.4 -0.469 68.1 168.4-162.3 77.6 109.8 63.9 36.2 110 115 A P T 3 S+ 0 0 28 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.809 73.5 72.1 -65.6 -30.7 106.0 63.8 36.7 111 116 A S T 3 S+ 0 0 66 -4,-0.1 2,-0.7 82,-0.1 -4,-0.1 0.705 80.7 94.6 -60.2 -14.9 105.9 60.1 36.7 112 117 A L < + 0 0 49 -3,-1.4 -6,-0.4 -6,-0.3 81,-0.2 -0.694 47.0 166.6 -85.1 114.5 107.5 60.4 40.2 113 118 A V E - D 0 192C 0 79,-3.3 79,-2.2 -2,-0.7 2,-0.3 -0.863 14.1-167.8-131.3 95.3 105.0 60.4 43.0 114 119 A P E + D 0 191C 12 0, 0.0 -11,-2.1 0, 0.0 2,-0.4 -0.630 12.1 178.9 -83.7 138.8 106.6 59.9 46.4 115 120 A L E -CD 102 190C 2 75,-2.5 75,-4.2 -2,-0.3 2,-0.7 -0.991 32.9-152.2-148.9 138.1 104.3 59.1 49.4 116 121 A V E -CD 101 189C 8 -15,-1.1 -15,-2.4 -2,-0.4 2,-0.6 -0.944 34.0-158.6-102.6 113.7 104.4 58.4 53.1 117 122 A V E -CD 100 188C 9 71,-3.3 71,-2.2 -2,-0.7 2,-0.8 -0.870 12.0-150.1-105.9 123.8 101.3 56.3 53.5 118 123 A D E - D 0 187C 34 -19,-2.1 2,-0.9 -2,-0.6 69,-0.2 -0.757 12.4-147.1 -90.3 106.7 99.6 55.8 56.9 119 124 A V E + D 0 186C 2 67,-2.2 67,-1.7 -2,-0.8 -21,-0.2 -0.636 21.5 177.7 -75.5 109.5 97.9 52.5 57.0 120 125 A L + 0 0 59 -23,-2.5 -1,-0.2 -2,-0.9 -23,-0.2 0.944 54.3 58.1 -79.1 -55.2 94.8 53.1 59.2 121 126 A T - 0 0 25 -24,-0.7 58,-1.8 -25,-0.1 65,-0.1 -0.362 52.2-168.5 -79.4 161.2 93.0 49.8 59.3 122 127 A D + 0 0 55 56,-0.3 60,-0.7 -2,-0.1 61,-0.2 -0.035 50.7 115.2-137.7 29.2 94.4 46.5 60.5 123 128 A N > - 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0 0 86 -5,-2.9 -1,-0.3 -6,-0.1 -2,-0.1 -0.783 68.7 -79.0-130.2 173.7 87.5 76.8 40.3 225 36 B T > - 0 0 73 -2,-0.2 4,-1.6 1,-0.2 3,-0.4 -0.560 29.8-133.9 -76.7 130.5 84.3 75.2 41.5 226 37 B P H > S+ 0 0 70 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.883 114.5 53.9 -51.3 -32.2 84.8 71.7 43.0 227 38 B E H > S+ 0 0 139 2,-0.2 4,-1.6 1,-0.2 -11,-0.0 0.892 100.4 59.6 -65.2 -42.2 81.8 71.0 40.8 228 39 B T H > S+ 0 0 34 -3,-0.4 4,-2.0 1,-0.2 3,-0.3 0.916 102.4 50.2 -53.5 -52.6 83.6 72.4 37.7 229 40 B V H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 5,-0.3 0.935 105.4 58.3 -47.2 -52.9 86.4 69.9 37.8 230 41 B A H < S+ 0 0 31 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.881 105.6 50.3 -47.7 -43.8 83.9 67.1 38.1 231 42 B A H ><>S+ 0 0 22 -4,-1.6 3,-2.2 -3,-0.3 5,-1.9 0.937 107.8 51.8 -61.1 -50.0 82.4 68.3 34.8 232 43 B W H ><>S+ 0 0 23 -4,-2.0 3,-2.1 1,-0.3 5,-0.6 0.940 106.6 54.5 -50.5 -51.5 85.8 68.3 33.1 233 44 B E T 3<5S+ 0 0 25 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.554 108.4 52.0 -62.3 -7.1 86.3 64.8 34.3 234 45 B N T < 5S- 0 0 133 -3,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.360 129.4 -85.5-112.3 5.9 83.1 63.9 32.6 235 46 B G T X 5S+ 0 0 26 -3,-2.1 3,-0.9 -4,-0.4 -3,-0.2 0.250 96.5 112.9 114.1 -13.6 83.7 65.3 29.2 236 47 B E G > < + 0 0 148 -5,-1.9 3,-0.5 1,-0.2 -4,-0.3 0.246 49.7 97.0 -77.7 17.0 82.7 69.0 29.5 237 48 B G G > < + 0 0 0 -5,-0.6 3,-2.7 -6,-0.3 -189,-0.4 0.603 47.1 106.8 -80.8 -9.6 86.3 70.1 29.1 238 49 B G G < S+ 0 0 12 -3,-0.9 -189,-1.7 1,-0.3 -188,-0.3 0.716 77.4 48.1 -37.7 -41.0 85.9 70.9 25.4 239 50 B E G < S+ 0 0 149 -3,-0.5 2,-0.3 -192,-0.2 -1,-0.3 0.279 77.3 128.9 -91.0 12.0 85.9 74.7 25.7 240 51 B L < - 0 0 10 -3,-2.7 -192,-1.3 1,-0.1 -191,-0.1 -0.505 57.5-126.8 -70.3 128.4 89.0 74.9 27.9 241 52 B T B > -A 47 0A 16 -2,-0.3 4,-2.0 -194,-0.2 -194,-0.2 -0.207 18.6-110.6 -70.5 166.4 91.4 77.4 26.5 242 53 B L H >> S+ 0 0 0 -196,-1.0 4,-2.2 -198,-0.8 3,-0.5 0.976 120.4 47.8 -59.8 -57.6 95.1 76.6 25.8 243 54 B T H 3> S+ 0 0 53 -199,-1.6 4,-1.7 1,-0.3 -1,-0.2 0.892 109.8 54.7 -50.7 -43.5 96.3 78.8 28.6 244 55 B Q H 3> S+ 0 0 64 -200,-0.4 4,-1.7 1,-0.2 -1,-0.3 0.888 106.4 50.4 -59.4 -39.1 93.7 77.3 30.8 245 56 B L H S+ 0 0 2 -4,-2.4 5,-3.8 1,-0.2 -1,-0.2 0.797 114.2 54.0 -60.6 -27.4 98.7 70.6 33.8 250 61 B H H ><5S+ 0 0 103 -4,-1.2 3,-2.9 -5,-0.3 -2,-0.2 0.950 104.2 51.3 -70.4 -52.4 101.0 72.8 35.9 251 62 B V H 3<5S+ 0 0 27 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.832 112.3 48.3 -54.1 -33.3 99.0 72.3 39.1 252 63 B L T 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.104 114.3-125.6 -94.5 22.4 99.3 68.6 38.5 253 64 B G T < 5S+ 0 0 15 -3,-2.9 -3,-0.2 1,-0.1 2,-0.2 0.830 76.7 97.4 34.1 52.7 103.0 69.1 37.9 254 65 B T S - 0 0 30 -2,-0.2 4,-0.9 -3,-0.1 3,-0.2 -0.790 25.9-119.0-113.7 156.4 102.4 68.5 30.8 256 67 B I H >> S+ 0 0 10 -189,-0.4 4,-1.5 -2,-0.3 3,-1.1 0.888 116.0 60.7 -56.9 -38.6 99.4 69.2 28.6 257 68 B G H >4 S+ 0 0 20 -190,-0.4 3,-1.0 1,-0.3 -194,-0.3 0.953 100.7 52.5 -52.7 -50.4 100.7 66.4 26.4 258 69 B A H 34 S+ 0 0 53 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.2 0.710 113.5 45.4 -59.3 -20.8 100.4 64.0 29.4 259 70 B L H << S+ 0 0 4 -3,-1.1 -56,-0.3 -4,-0.9 -1,-0.3 0.593 102.4 71.0-100.3 -14.9 96.8 65.1 29.8 260 71 B T S << S- 0 0 7 -4,-1.5 -63,-0.1 -3,-1.0 -64,-0.1 -0.726 88.2-105.0 -99.2 156.4 95.6 65.1 26.2 261 72 B P - 0 0 29 0, 0.0 -199,-0.5 0, 0.0 -198,-0.4 -0.209 38.3 -92.6 -75.9 166.5 95.1 61.8 24.3 262 73 B P - 0 0 110 0, 0.0 3,-0.1 0, 0.0 40,-0.1 -0.239 55.9 -77.7 -71.9 165.5 97.3 60.3 21.6 263 74 B A - 0 0 23 38,-0.2 -202,-0.1 1,-0.1 3,-0.0 -0.409 63.9-103.9 -61.5 141.9 96.8 61.0 17.9 264 75 B G - 0 0 35 -204,-0.2 2,-0.6 1,-0.1 -1,-0.1 0.111 32.4-100.3 -59.6-177.4 94.0 58.8 16.8 265 76 B N + 0 0 89 1,-0.1 -1,-0.1 -3,-0.1 35,-0.0 -0.950 38.0 175.7-110.1 116.9 94.4 55.6 14.8 266 77 B D + 0 0 57 -2,-0.6 2,-0.2 2,-0.0 -1,-0.1 0.085 35.9 122.3-108.4 23.6 93.7 56.2 11.1 267 78 B L - 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