==== 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 OXIDOREDUCTASE 21-AUG-06 2I3Y . COMPND 2 MOLECULE: EPIDIDYMAL SECRETORY GLUTATHIONE PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.L.KAVANAGH,C.JOHANSSON,A.ROJKOVA,C.UMEANO,G.BUNKOCZI,O.GIL . 188 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9541.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 59.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 10 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 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 PARALLEL BRIDGES PER LADDER . 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 31 A D 0 0 223 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -42.6 53.8 42.8 32.8 2 32 A C - 0 0 120 2,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.981 360.0-149.9-150.2 132.6 55.9 42.4 29.6 3 33 A H - 0 0 162 -2,-0.3 2,-0.6 2,-0.0 0, 0.0 -0.979 7.3-158.2-110.9 127.0 56.4 39.5 27.1 4 34 A K - 0 0 84 -2,-0.5 2,-0.7 2,-0.0 -2,-0.0 -0.914 18.7-135.1 -97.4 118.6 59.8 39.2 25.3 5 35 A D - 0 0 140 -2,-0.6 2,-0.5 1,-0.0 -2,-0.0 -0.694 14.4-150.7 -77.7 115.6 59.3 37.1 22.1 6 36 A E - 0 0 99 -2,-0.7 2,-0.3 1,-0.0 -1,-0.0 -0.787 15.9-148.7 -88.3 122.6 62.2 34.5 21.8 7 37 A K - 0 0 80 -2,-0.5 2,-0.3 1,-0.0 -2,-0.0 -0.718 8.1-119.7-102.4 143.0 63.0 33.8 18.1 8 38 A G + 0 0 39 -2,-0.3 2,-0.3 2,-0.0 -1,-0.0 -0.548 33.9 166.2 -83.7 137.4 64.3 30.5 16.6 9 39 A T > - 0 0 31 -2,-0.3 3,-1.7 154,-0.1 154,-0.2 -0.881 51.7 -97.8-136.5 173.8 67.6 30.1 14.6 10 40 A I G > S+ 0 0 0 152,-2.0 3,-1.8 -2,-0.3 16,-0.3 0.792 115.6 71.1 -60.8 -28.2 69.9 27.3 13.3 11 41 A Y G 3 S+ 0 0 35 1,-0.3 16,-0.4 15,-0.2 -1,-0.3 0.562 81.4 73.5 -69.0 -7.4 72.1 27.8 16.4 12 42 A D G < S+ 0 0 104 -3,-1.7 -1,-0.3 14,-0.1 2,-0.2 0.529 94.5 67.7 -79.6 -9.5 69.3 26.2 18.5 13 43 A Y < - 0 0 55 -3,-1.8 13,-2.3 -4,-0.1 14,-0.3 -0.677 55.8-178.4-117.5 168.2 70.2 22.8 17.0 14 44 A E E -A 25 0A 131 11,-0.2 2,-0.3 -2,-0.2 11,-0.2 -0.963 3.4-168.2-156.7 160.6 73.0 20.2 17.1 15 45 A A E -A 24 0A 10 9,-1.6 9,-3.1 -2,-0.3 2,-0.5 -0.970 30.2-100.3-154.1 162.8 74.0 16.9 15.6 16 46 A I E -A 23 0A 61 -2,-0.3 90,-2.9 7,-0.2 7,-0.2 -0.799 37.1-125.9 -94.8 122.4 76.6 14.1 16.0 17 47 A A B -B 105 0B 2 5,-2.1 88,-0.3 -2,-0.5 5,-0.1 -0.344 10.0-138.1 -65.0 148.6 79.5 14.1 13.5 18 48 A L S S+ 0 0 24 86,-2.4 87,-0.1 1,-0.1 -1,-0.1 0.873 97.9 42.4 -75.0 -37.7 80.0 10.9 11.6 19 49 A N S S+ 0 0 99 85,-0.5 2,-0.2 3,-0.1 -1,-0.1 0.724 119.5 39.1 -98.3 -31.0 83.9 10.9 11.8 20 50 A K S S- 0 0 51 2,-0.2 -4,-0.0 0, 0.0 0, 0.0 -0.393 85.7-128.4 -84.1-176.5 84.3 11.9 15.4 21 51 A N S S+ 0 0 98 -2,-0.2 2,-0.3 2,-0.1 -3,-0.1 -0.250 73.8 112.7-118.7 44.5 81.8 10.5 17.9 22 52 A E - 0 0 50 -5,-0.1 -5,-2.1 -7,-0.0 -2,-0.2 -0.908 69.9-110.9-129.5 142.6 81.0 14.0 19.1 23 53 A Y E -A 16 0A 78 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.2 -0.433 25.5-158.1 -72.7 141.2 78.2 16.5 19.1 24 54 A V E -A 15 0A 13 -9,-3.1 -9,-1.6 -2,-0.1 2,-0.3 -0.978 6.6-148.2-122.3 112.1 78.5 19.7 17.0 25 55 A S E > -A 14 0A 27 -2,-0.5 3,-2.0 -11,-0.2 -11,-0.2 -0.656 18.0-131.9 -78.5 140.6 76.4 22.7 17.9 26 56 A F G > S+ 0 0 0 -13,-2.3 3,-1.5 -16,-0.3 -15,-0.2 0.601 100.0 83.6 -71.6 -7.6 75.5 24.8 14.9 27 57 A K G > S+ 0 0 111 -16,-0.4 3,-2.0 -14,-0.3 -1,-0.3 0.781 76.6 71.5 -55.6 -33.8 76.6 27.8 17.0 28 58 A Q G < S+ 0 0 126 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.797 94.1 55.3 -46.2 -32.0 80.1 26.8 15.7 29 59 A Y G X S+ 0 0 27 -3,-1.5 3,-1.8 -4,-0.2 -1,-0.3 0.129 76.1 146.0-100.6 20.4 78.8 28.1 12.4 30 60 A V T < S+ 0 0 96 -3,-2.0 131,-0.1 1,-0.3 3,-0.1 -0.286 72.7 15.1 -56.1 135.3 77.9 31.6 13.6 31 61 A G T 3 S+ 0 0 44 129,-1.7 2,-0.3 1,-0.2 -1,-0.3 0.479 107.6 110.8 74.8 2.7 78.5 34.3 11.0 32 62 A K S < S- 0 0 95 -3,-1.8 2,-0.6 127,-0.2 130,-0.3 -0.769 72.4-120.3-110.2 154.0 78.8 31.7 8.2 33 63 A H E -c 64 0C 12 30,-2.4 32,-2.7 -2,-0.3 2,-0.5 -0.838 35.5-153.5 -89.9 122.0 76.6 30.8 5.3 34 64 A I E -cD 65 158C 0 124,-2.4 124,-2.7 -2,-0.6 2,-0.6 -0.869 12.5-161.1-109.8 125.6 75.5 27.1 5.8 35 65 A L E -cD 66 157C 0 30,-3.1 32,-3.1 -2,-0.5 2,-0.5 -0.922 11.5-163.4-102.9 110.9 74.6 24.7 3.0 36 66 A F E +cD 67 156C 0 120,-2.7 120,-2.1 -2,-0.6 2,-0.4 -0.813 10.6 179.2 -93.2 128.4 72.6 21.7 4.4 37 67 A V E -cD 68 155C 0 30,-2.6 32,-3.0 -2,-0.5 2,-0.5 -0.999 24.5-141.4-129.2 130.5 72.4 18.7 2.1 38 68 A N E -c 69 0C 1 116,-1.5 115,-2.5 -2,-0.4 2,-0.2 -0.812 35.7-164.1 -85.1 128.5 70.6 15.4 2.8 39 69 A V E -c 70 0C 0 30,-2.4 32,-2.0 -2,-0.5 2,-0.3 -0.680 21.7-179.1-119.4 166.4 72.9 12.7 1.3 40 70 A A - 0 0 0 -2,-0.2 3,-0.3 30,-0.2 38,-0.2 -0.964 24.6-139.2-158.6 157.2 72.9 9.0 0.2 41 71 A T S S+ 0 0 3 36,-1.1 37,-0.2 -2,-0.3 -1,-0.1 0.704 95.7 46.7 -93.4 -25.0 75.4 6.6 -1.3 42 72 A Y S S+ 0 0 101 35,-2.4 2,-0.3 4,-0.0 -1,-0.2 -0.231 84.7 108.1-122.4 43.0 73.3 4.6 -3.8 43 73 A C S > S- 0 0 4 -3,-0.3 3,-1.6 34,-0.1 4,-0.3 -0.868 76.4-121.3-112.8 149.0 71.4 7.4 -5.6 44 74 A G G > S+ 0 0 69 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.864 116.9 59.6 -50.1 -35.6 72.0 8.6 -9.2 45 75 A L G > S+ 0 0 46 1,-0.2 3,-2.4 2,-0.1 -1,-0.3 0.584 77.5 88.1 -73.5 -10.1 72.7 12.0 -7.5 46 76 A T G X S+ 0 0 0 -3,-1.6 3,-2.0 1,-0.3 -1,-0.2 0.820 73.2 75.3 -59.7 -28.3 75.6 10.5 -5.5 47 77 A A G < S+ 0 0 67 -3,-1.2 -1,-0.3 -4,-0.3 4,-0.2 0.612 83.0 68.0 -50.9 -21.5 77.7 11.4 -8.5 48 78 A Q G X> + 0 0 12 -3,-2.4 4,-1.8 1,-0.2 3,-0.6 0.471 68.6 96.8 -85.2 -4.6 77.5 15.1 -7.4 49 79 A Y H <> S+ 0 0 0 -3,-2.0 4,-2.1 1,-0.3 -1,-0.2 0.881 84.3 48.7 -50.1 -47.3 79.6 14.5 -4.3 50 80 A P H 3> S+ 0 0 62 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.774 108.4 55.4 -65.9 -25.1 82.8 15.7 -6.0 51 81 A E H <> S+ 0 0 87 -3,-0.6 4,-2.1 -4,-0.2 -2,-0.2 0.828 107.2 50.0 -72.5 -30.2 80.8 18.7 -7.2 52 82 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.886 108.8 51.4 -74.2 -39.4 80.0 19.4 -3.6 53 83 A N H X S+ 0 0 22 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.917 112.0 47.5 -56.8 -47.9 83.6 19.1 -2.6 54 84 A A H X S+ 0 0 46 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.878 110.3 51.3 -62.6 -43.4 84.5 21.6 -5.4 55 85 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.959 112.6 46.4 -56.9 -52.3 81.7 24.0 -4.3 56 86 A Q H X S+ 0 0 4 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.888 113.8 48.2 -56.7 -48.9 83.0 23.9 -0.7 57 87 A E H >< S+ 0 0 110 -4,-2.6 3,-0.6 2,-0.2 -1,-0.2 0.963 114.5 46.0 -52.7 -58.1 86.7 24.4 -1.8 58 88 A E H 3< S+ 0 0 104 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.856 122.4 33.4 -54.5 -45.2 85.8 27.3 -4.0 59 89 A L H ><>S+ 0 0 0 -4,-2.4 5,-1.8 -5,-0.2 3,-0.9 0.377 85.8 96.8-105.4 4.0 83.5 29.1 -1.5 60 90 A K G X<5S+ 0 0 107 -4,-1.2 3,-2.5 -3,-0.6 -1,-0.2 0.942 84.9 55.2 -55.6 -46.2 85.2 28.4 1.8 61 91 A P G 3 5S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.718 103.2 56.0 -60.6 -21.5 87.0 31.7 1.7 62 92 A Y G < 5S- 0 0 141 -3,-0.9 -2,-0.2 -4,-0.1 -29,-0.1 0.309 128.0 -99.1 -89.2 0.1 83.6 33.5 1.2 63 93 A G T < 5S+ 0 0 11 -3,-2.5 -30,-2.4 1,-0.3 2,-0.4 0.702 71.2 149.3 89.8 23.1 82.4 31.9 4.5 64 94 A L E < -c 33 0C 1 -5,-1.8 2,-0.4 -32,-0.2 -1,-0.3 -0.768 24.3-170.5 -90.9 132.6 80.4 28.9 3.1 65 95 A V E -c 34 0C 26 -32,-2.7 -30,-3.1 -2,-0.4 2,-0.4 -0.993 9.3-152.5-120.3 121.6 80.2 25.7 5.2 66 96 A V E -c 35 0C 1 -2,-0.4 37,-0.8 -32,-0.2 2,-0.4 -0.768 11.2-169.5 -90.4 135.1 78.6 22.6 3.6 67 97 A L E -ce 36 103C 0 -32,-3.1 -30,-2.6 -2,-0.4 2,-0.5 -0.995 6.6-153.4-129.3 128.8 77.0 20.1 6.0 68 98 A G E -ce 37 104C 0 35,-2.7 37,-2.3 -2,-0.4 -30,-0.2 -0.908 6.4-167.8-113.8 132.4 75.9 16.6 4.9 69 99 A F E -c 38 0C 0 -32,-3.0 -30,-2.4 -2,-0.5 2,-0.1 -0.930 15.2-143.4-123.3 98.9 73.1 14.6 6.5 70 100 A P E +c 39 0C 0 0, 0.0 38,-2.1 0, 0.0 2,-0.3 -0.430 25.4 176.7 -61.9 139.8 72.8 10.9 5.5 71 101 A C - 0 0 0 -32,-2.0 3,-0.3 36,-0.2 6,-0.2 -0.992 28.3-161.5-149.9 137.3 69.3 9.7 5.3 72 102 A N + 0 0 49 -2,-0.3 4,-0.3 1,-0.2 37,-0.1 0.067 68.8 95.5-106.4 22.7 67.7 6.4 4.3 73 103 A Q + 0 0 15 35,-0.2 2,-0.7 1,-0.2 67,-0.2 0.540 67.2 72.7 -93.7 -6.8 64.2 7.6 3.5 74 104 A F S > S- 0 0 0 -3,-0.3 3,-0.7 1,-0.1 -1,-0.2 -0.835 130.0 -33.8-120.5 90.1 64.5 8.1 -0.2 75 105 A G T 3 S- 0 0 47 -2,-0.7 -1,-0.1 63,-0.3 -2,-0.1 0.623 98.6 -85.6 75.9 12.4 64.6 4.7 -2.0 76 106 A K T 3 S+ 0 0 169 -4,-0.3 -1,-0.2 1,-0.1 -3,-0.1 0.918 82.4 152.2 49.7 52.0 66.5 3.2 0.9 77 107 A Q < + 0 0 40 -3,-0.7 -35,-2.4 1,-0.2 -36,-1.1 0.296 59.3 55.3-100.4 6.5 69.6 4.6 -0.7 78 108 A E + 0 0 3 -38,-0.2 -1,-0.2 -37,-0.2 -6,-0.1 -0.565 60.5 149.7-129.8 66.0 71.7 5.0 2.5 79 109 A P + 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.692 37.8 107.6 -72.7 -17.2 71.5 1.5 4.0 80 110 A G S S- 0 0 14 1,-0.1 27,-0.1 -3,-0.1 5,-0.1 -0.258 72.5-116.6 -69.5 145.6 74.8 1.6 5.8 81 111 A D >> - 0 0 94 1,-0.1 3,-1.7 25,-0.0 4,-0.8 -0.299 45.6 -94.7 -64.0 164.6 75.4 1.9 9.5 82 112 A N H >> S+ 0 0 53 1,-0.3 3,-1.5 2,-0.2 4,-0.6 0.927 127.1 53.9 -55.8 -46.1 77.2 5.1 10.5 83 113 A K H 34 S+ 0 0 136 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.645 108.1 52.4 -58.2 -18.3 80.6 3.4 10.5 84 114 A E H <> S+ 0 0 94 -3,-1.7 4,-1.9 2,-0.1 -1,-0.3 0.610 88.7 79.4 -95.4 -14.1 80.0 2.2 6.9 85 115 A I H S+ 0 0 63 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.880 108.8 54.5 -54.0 -36.4 84.1 3.6 3.6 88 118 A G H X>S+ 0 0 12 -4,-1.9 4,-2.1 2,-0.2 5,-2.0 0.894 109.7 45.8 -65.7 -39.3 81.2 3.2 1.1 89 119 A L H <5S+ 0 0 0 -4,-1.8 6,-2.6 3,-0.2 9,-0.4 0.902 116.3 45.7 -68.9 -38.9 81.9 6.7 -0.5 90 120 A K H <5S+ 0 0 79 -4,-2.3 7,-2.7 7,-0.2 8,-0.6 0.875 129.8 19.8 -71.3 -38.3 85.6 6.0 -0.7 91 121 A Y H <5S+ 0 0 172 -4,-2.4 5,-0.2 4,-0.2 -2,-0.2 0.516 133.0 25.8-115.9 -10.8 85.5 2.5 -2.1 92 122 A V T <5S+ 0 0 82 -4,-2.1 -3,-0.2 -5,-0.3 -4,-0.1 0.686 113.6 32.2-120.0 -72.0 82.0 2.0 -3.7 93 123 A R S + 0 0 12 -6,-2.6 3,-1.1 -7,-0.2 -4,-0.2 -0.262 34.9 103.5 71.5-167.7 84.7 5.2 -5.1 96 126 A G T 3 S- 0 0 93 1,-0.2 -5,-0.2 -5,-0.2 -6,-0.1 0.593 119.1 -56.7 70.1 12.3 88.2 6.0 -6.4 97 127 A G T 3 S+ 0 0 40 -7,-2.7 -1,-0.2 1,-0.2 -7,-0.2 0.549 84.2 174.7 94.0 13.2 89.3 7.1 -2.9 98 128 A F < + 0 0 26 -3,-1.1 -1,-0.2 -8,-0.6 -3,-0.2 -0.277 8.2 177.4 -62.6 129.4 86.7 9.8 -2.6 99 129 A V - 0 0 85 -9,-0.1 -13,-0.0 -10,-0.1 -1,-0.0 -0.996 32.8-117.1-125.7 128.4 86.5 11.5 0.8 100 130 A P - 0 0 17 0, 0.0 4,-0.1 0, 0.0 -51,-0.0 -0.318 13.9-150.6 -58.1 142.0 84.0 14.4 1.4 101 131 A S S S+ 0 0 41 2,-0.1 2,-0.3 -51,-0.0 -35,-0.1 0.018 77.7 61.8-103.9 23.6 85.8 17.7 2.1 102 132 A F S S- 0 0 19 -37,-0.1 2,-0.3 -46,-0.0 -35,-0.1 -0.929 99.4 -78.4-141.6 166.0 82.9 18.9 4.3 103 133 A Q E -e 67 0C 50 -37,-0.8 -35,-2.7 -2,-0.3 2,-0.3 -0.503 38.2-165.6 -77.3 121.9 81.4 17.6 7.5 104 134 A L E -e 68 0C 2 -2,-0.3 -86,-2.4 -37,-0.2 -85,-0.5 -0.800 9.7-153.3 -98.1 148.3 79.0 14.6 7.4 105 135 A F B -B 17 0B 0 -37,-2.3 -88,-0.3 -2,-0.3 3,-0.1 -0.663 32.9 -69.5-113.1 170.3 76.7 13.7 10.4 106 136 A E - 0 0 69 -90,-2.9 -1,-0.2 -2,-0.2 2,-0.1 -0.177 61.4 -95.7 -56.0 151.5 75.1 10.5 11.7 107 137 A K + 0 0 60 -38,-0.1 2,-0.3 -27,-0.1 -36,-0.2 -0.420 60.5 137.8 -72.6 144.4 72.3 9.1 9.6 108 138 A G - 0 0 21 -38,-2.1 -35,-0.2 -2,-0.1 2,-0.1 -0.974 51.3 -68.0-171.5 174.3 68.7 9.9 10.5 109 139 A D - 0 0 57 5,-0.5 7,-2.3 -2,-0.3 10,-0.2 -0.427 24.8-176.5 -72.6 143.8 65.3 10.8 9.3 110 140 A V S S+ 0 0 0 5,-0.2 2,-0.3 1,-0.1 39,-0.2 0.421 73.8 41.5-111.7 -11.6 64.6 14.2 7.6 111 141 A N S S+ 0 0 0 37,-0.1 3,-0.4 3,-0.0 31,-0.2 -0.931 94.3 20.8-132.7 161.5 60.8 13.6 7.2 112 142 A G S > S- 0 0 8 31,-0.3 3,-2.0 -2,-0.3 32,-0.1 -0.196 105.7 -31.7 78.7-171.6 58.0 12.1 9.2 113 143 A E T 3 S+ 0 0 163 29,-2.8 -1,-0.2 1,-0.3 28,-0.0 0.754 136.9 41.2 -55.2 -34.0 57.5 11.4 13.0 114 144 A K T 3 S+ 0 0 102 -3,-0.4 -5,-0.5 2,-0.0 -1,-0.3 0.141 82.8 142.5-106.1 19.2 61.2 10.8 13.8 115 145 A E < - 0 0 24 -3,-2.0 -5,-0.2 1,-0.1 2,-0.1 -0.276 62.1 -96.6 -57.8 146.9 62.6 13.6 11.6 116 146 A Q >> - 0 0 43 -7,-2.3 4,-1.7 1,-0.1 3,-0.9 -0.386 30.3-124.3 -61.2 137.4 65.6 15.5 13.0 117 147 A K H 3> S+ 0 0 104 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.826 108.4 59.4 -62.7 -28.1 64.5 18.7 14.7 118 148 A V H 3> S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.832 104.3 51.3 -69.1 -31.5 66.8 20.9 12.5 119 149 A F H <> S+ 0 0 0 -3,-0.9 4,-3.0 2,-0.2 5,-0.3 0.893 105.0 54.5 -75.7 -38.1 65.0 19.6 9.5 120 150 A S H X S+ 0 0 20 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.955 112.8 46.3 -48.6 -49.4 61.6 20.5 11.0 121 151 A F H X S+ 0 0 27 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.950 115.0 44.4 -60.4 -51.8 63.0 24.0 11.4 122 152 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 3,-0.2 0.918 115.7 47.1 -60.0 -46.9 64.5 24.2 7.9 123 153 A K H < S+ 0 0 2 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.873 114.2 46.4 -67.3 -38.1 61.4 22.8 6.3 124 154 A H H < S+ 0 0 107 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.706 113.4 52.2 -74.1 -20.8 59.0 25.1 8.2 125 155 A S H < S+ 0 0 51 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.759 115.9 32.4 -87.9 -30.7 61.3 28.1 7.4 126 156 A C S < S- 0 0 19 -4,-1.7 -1,-0.2 -5,-0.1 40,-0.1 -0.947 76.8-134.7-137.8 114.1 61.6 27.7 3.7 127 157 A P - 0 0 103 0, 0.0 40,-0.1 0, 0.0 20,-0.1 -0.258 27.4-111.2 -57.4 149.7 59.0 26.4 1.2 128 158 A H - 0 0 21 18,-0.2 40,-0.1 2,-0.1 20,-0.0 -0.566 23.3-130.2 -76.9 144.5 60.0 23.9 -1.5 129 159 A P S S+ 0 0 91 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.680 81.1 71.6 -71.3 -19.6 59.7 25.4 -4.9 130 160 A S - 0 0 47 2,-0.2 -2,-0.1 1,-0.1 0, 0.0 -0.772 67.0-144.7-103.9 146.6 57.7 22.6 -6.6 131 161 A E S S+ 0 0 188 -2,-0.3 2,-0.5 2,-0.0 -1,-0.1 0.635 81.1 95.3 -72.2 -17.1 54.0 21.7 -6.1 132 162 A I + 0 0 105 1,-0.2 -2,-0.2 0, 0.0 3,-0.1 -0.665 43.6 170.6 -83.1 123.5 55.2 18.0 -6.6 133 163 A L - 0 0 34 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.741 55.6 -70.2 -98.8 -36.0 55.8 16.2 -3.4 134 164 A G - 0 0 32 5,-0.1 -1,-0.3 4,-0.0 2,-0.3 -0.999 42.4 -73.8 179.1-176.2 56.3 12.8 -4.8 135 165 A T > - 0 0 56 -2,-0.3 4,-1.7 -3,-0.1 0, 0.0 -0.745 51.2-104.4 -98.0 160.7 55.2 9.7 -6.4 136 166 A F T 4 S+ 0 0 205 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.860 125.9 47.8 -45.3 -34.5 53.1 7.0 -4.6 137 167 A K T 4 S+ 0 0 166 1,-0.2 -1,-0.2 3,-0.0 -62,-0.2 0.895 105.4 53.4 -76.4 -45.9 56.5 5.2 -4.6 138 168 A S T 4 S+ 0 0 17 -64,-0.1 2,-0.5 2,-0.1 -63,-0.3 0.793 88.3 82.6 -71.1 -31.3 58.9 7.9 -3.3 139 169 A I < + 0 0 50 -4,-1.7 -65,-0.1 1,-0.1 -5,-0.1 -0.659 45.6 156.4 -79.2 117.3 57.0 8.9 -0.1 140 170 A S + 0 0 78 -2,-0.5 2,-0.2 -67,-0.2 -1,-0.1 0.292 45.9 77.9-122.9 5.4 58.0 6.3 2.5 141 171 A W S S- 0 0 19 -68,-0.0 -29,-0.2 -29,-0.0 3,-0.0 -0.591 71.5-101.7-124.0 174.0 57.3 8.3 5.8 142 172 A D S S+ 0 0 125 -2,-0.2 -29,-2.8 1,-0.2 2,-0.1 -0.981 89.3 27.1-155.5 130.8 54.5 9.3 8.0 143 173 A P S S- 0 0 57 0, 0.0 2,-0.5 0, 0.0 -31,-0.3 0.669 77.8-146.2 -76.4 172.2 53.0 11.8 8.4 144 174 A V - 0 0 71 -2,-0.1 2,-0.3 -33,-0.1 -2,-0.0 -0.915 19.0-177.3-110.9 126.9 53.3 13.6 5.0 145 175 A K > - 0 0 82 -2,-0.5 3,-2.1 -12,-0.1 -33,-0.0 -0.928 37.6-115.9-130.1 152.4 53.5 17.4 5.0 146 176 A V T 3 S+ 0 0 121 -2,-0.3 -18,-0.2 1,-0.3 -1,-0.0 0.695 113.2 50.4 -63.4 -24.1 53.6 19.8 2.1 147 177 A H T 3 S+ 0 0 41 -20,-0.1 -1,-0.3 2,-0.0 -21,-0.1 0.240 81.9 131.4-102.9 14.2 57.2 21.1 3.1 148 178 A D < - 0 0 0 -3,-2.1 2,-0.2 1,-0.1 -37,-0.1 -0.226 69.9 -97.1 -58.8 152.1 58.7 17.6 3.3 149 179 A I - 0 0 0 -39,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.512 31.8-152.8 -67.3 134.9 62.0 16.9 1.6 150 180 A R - 0 0 19 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.797 58.4 -28.9 -84.1 -34.2 61.2 15.2 -1.7 151 181 A W S > S- 0 0 57 -17,-0.1 3,-0.8 -77,-0.0 -1,-0.2 -0.947 83.5 -44.0-167.7 177.1 64.4 13.2 -2.3 152 182 A N T 3 S+ 0 0 0 -2,-0.3 -113,-0.2 1,-0.2 -2,-0.0 -0.356 113.6 24.1 -56.9 146.4 68.1 12.7 -1.8 153 183 A F T 3 S+ 0 0 0 -115,-2.5 -1,-0.2 1,-0.2 2,-0.2 0.723 75.5 153.8 67.2 31.7 70.3 15.7 -2.2 154 184 A E < - 0 0 0 -3,-0.8 -116,-1.5 -116,-0.2 2,-0.4 -0.495 31.4-145.3 -77.6 157.4 67.8 18.5 -1.5 155 185 A K E -DF 37 168C 0 13,-1.8 13,-2.3 -118,-0.2 2,-0.4 -0.980 21.7-170.0-140.9 141.9 69.5 21.6 -0.2 156 186 A F E -DF 36 167C 1 -120,-2.1 -120,-2.7 -2,-0.4 2,-0.5 -0.995 12.4-149.7-128.8 138.0 69.0 24.6 2.1 157 187 A L E -DF 35 166C 0 9,-2.6 8,-3.2 -2,-0.4 9,-1.5 -0.933 10.9-165.1-105.5 128.8 71.0 27.7 2.6 158 188 A V E -DF 34 164C 0 -124,-2.7 -124,-2.4 -2,-0.5 -2,-0.0 -0.928 19.0-128.0-110.9 132.4 71.2 29.4 6.0 159 189 A G > - 0 0 1 4,-2.5 3,-1.8 -2,-0.4 -127,-0.2 -0.073 32.8 -92.5 -72.1 176.9 72.4 33.0 6.3 160 190 A P T 3 S+ 0 0 39 0, 0.0 -129,-1.7 0, 0.0 -128,-0.2 0.588 125.9 57.2 -71.6 -6.7 75.2 34.3 8.7 161 191 A D T 3 S- 0 0 91 2,-0.2 -150,-0.1 -130,-0.1 -131,-0.1 0.264 119.2-107.7 -99.0 5.4 72.5 35.1 11.3 162 192 A G S < S+ 0 0 0 -3,-1.8 -152,-2.0 -130,-0.3 -132,-0.0 0.508 79.5 127.1 81.1 5.6 71.2 31.5 11.4 163 193 A I - 0 0 87 -154,-0.2 -4,-2.5 -153,-0.1 -1,-0.3 -0.826 65.3-115.8 -96.0 127.9 67.9 32.2 9.5 164 194 A P E +F 158 0C 14 0, 0.0 -6,-0.3 0, 0.0 3,-0.1 -0.406 35.5 175.4 -61.9 137.2 67.2 30.0 6.5 165 195 A V E + 0 0 65 -8,-3.2 2,-0.3 1,-0.3 -7,-0.2 0.751 53.1 11.3-109.7 -36.2 67.2 31.9 3.2 166 196 A M E -F 157 0C 65 -9,-1.5 -9,-2.6 -40,-0.1 2,-0.3 -0.975 48.7-159.2-152.5 154.4 66.8 29.5 0.3 167 197 A R E -F 156 0C 17 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.991 10.2-157.7-144.4 133.0 66.0 26.0 -0.7 168 198 A W E -F 155 0C 15 -13,-2.3 -13,-1.8 -2,-0.3 -2,-0.0 -0.862 21.0-117.3-110.1 141.4 66.7 24.0 -3.9 169 199 A S > - 0 0 20 -2,-0.4 3,-1.4 -15,-0.2 -20,-0.0 -0.335 28.5-117.0 -57.7 150.8 65.1 21.0 -5.4 170 200 A H T 3 S+ 0 0 40 1,-0.2 -1,-0.1 -16,-0.1 -16,-0.1 0.538 114.7 70.0 -61.8 -15.4 67.2 17.9 -5.7 171 201 A R T 3 S+ 0 0 214 2,-0.1 2,-0.4 0, 0.0 -1,-0.2 0.560 77.7 96.5 -80.7 -13.1 66.6 18.4 -9.5 172 202 A A S < S- 0 0 25 -3,-1.4 -4,-0.1 1,-0.1 2,-0.0 -0.669 79.4-121.6 -84.0 127.8 68.9 21.5 -9.5 173 203 A T >> - 0 0 83 -2,-0.4 4,-2.0 1,-0.1 3,-0.5 -0.355 18.4-118.4 -63.6 149.6 72.5 20.9 -10.6 174 204 A V H 3> S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.790 116.2 60.4 -56.9 -31.0 75.3 21.8 -8.1 175 205 A S H 3> S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.882 105.7 45.1 -63.5 -39.5 76.5 24.2 -10.8 176 206 A S H <> S+ 0 0 40 -3,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.890 111.6 53.2 -74.7 -34.7 73.2 26.1 -10.7 177 207 A V H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.950 110.3 48.3 -59.7 -47.7 73.3 26.0 -6.8 178 208 A K H X S+ 0 0 28 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.943 110.6 50.5 -56.9 -50.2 76.8 27.5 -7.0 179 209 A T H X S+ 0 0 93 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.892 112.2 47.4 -56.6 -43.1 75.7 30.2 -9.4 180 210 A D H X S+ 0 0 63 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.913 113.0 48.4 -63.4 -43.4 72.7 31.1 -7.1 181 211 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.917 108.7 53.5 -65.3 -43.0 75.0 31.2 -4.1 182 212 A L H < S+ 0 0 62 -4,-3.2 4,-0.5 1,-0.2 -1,-0.2 0.861 109.6 48.3 -57.3 -38.9 77.6 33.4 -5.8 183 213 A A H >< S+ 0 0 66 -4,-1.6 3,-0.5 -5,-0.2 -1,-0.2 0.849 111.8 50.3 -72.4 -32.0 74.8 35.9 -6.7 184 214 A Y H >< S+ 0 0 18 -4,-1.8 3,-1.4 1,-0.2 4,-0.2 0.867 103.5 59.2 -70.9 -35.9 73.6 35.8 -3.0 185 215 A L G >< S+ 0 0 19 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.627 85.7 78.7 -69.7 -15.4 77.1 36.5 -1.7 186 216 A K G < S+ 0 0 132 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.2 0.687 83.5 65.3 -67.4 -18.9 77.3 39.8 -3.6 187 217 A Q G < 0 0 141 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.754 360.0 360.0 -67.2 -27.6 75.1 41.4 -0.9 188 218 A F < 0 0 130 -3,-1.1 -1,-0.0 -4,-0.2 -3,-0.0 -0.655 360.0 360.0 -93.9 360.0 77.7 41.0 1.8