==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 04-FEB-10 3AE7 . COMPND 2 MOLECULE: SUCCINATE DEHYDROGENASE [UBIQUINONE] FLAVOPROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR S.HARADA,T.SASAKI,M.SHINDO,Y.KIDO,D.K.INAOKA,J.OMORI,A.OSANA . 1092 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 707 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 71 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 376 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.5 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 3 0 1 2 5 1 3 1 3 1 1 1 0 1 0 0 0 0 1 1 1 1 1 0 1 1 RESIDUES PER ALPHA HELIX . 1 3 2 2 0 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 PARALLEL BRIDGES PER LADDER . 9 4 3 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 5 1 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 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 10 A S 0 0 121 0, 0.0 2,-0.7 0, 0.0 438,-0.0 0.000 360.0 360.0 360.0 103.3 -13.7 -36.5 -26.6 2 11 A T + 0 0 159 2,-0.4 0, 0.0 1,-0.2 0, 0.0 0.113 360.0 65.6 65.7 -23.5 -13.4 -38.9 -29.6 3 12 A Q S S+ 0 0 108 -2,-0.7 -1,-0.2 1,-0.2 0, 0.0 0.834 97.5 53.4 -90.2 -41.5 -12.4 -35.8 -31.6 4 13 A Y S S- 0 0 17 188,-0.1 2,-0.7 2,-0.0 -2,-0.4 -0.845 80.2-136.6-101.5 129.3 -9.1 -35.1 -29.8 5 14 A P - 0 0 69 0, 0.0 188,-0.8 0, 0.0 2,-0.5 -0.769 16.2-148.5 -88.8 115.4 -6.5 -37.9 -29.4 6 15 A V E -a 193 0A 83 -2,-0.7 2,-0.5 186,-0.1 188,-0.2 -0.704 14.5-173.5 -85.4 126.1 -5.0 -38.0 -25.9 7 16 A V E -a 194 0A 59 186,-1.6 188,-2.7 -2,-0.5 2,-0.4 -0.975 11.7-149.0-124.3 118.2 -1.3 -39.2 -25.7 8 17 A D E -a 195 0A 89 -2,-0.5 2,-0.4 186,-0.2 188,-0.2 -0.720 10.3-163.9 -89.0 130.9 0.3 -39.8 -22.3 9 18 A H E -a 196 0A 42 186,-2.4 188,-2.5 -2,-0.4 2,-0.6 -0.940 7.0-148.9-115.2 137.4 4.1 -39.2 -21.9 10 19 A E E +a 197 0A 124 -2,-0.4 2,-0.3 186,-0.2 188,-0.2 -0.922 31.0 147.5-112.9 118.2 6.1 -40.5 -19.0 11 20 A F E -a 198 0A 19 186,-2.2 188,-0.5 -2,-0.6 25,-0.2 -0.843 52.0-125.3-138.2 171.8 9.2 -38.5 -17.8 12 21 A D E S+ 0 0 31 23,-2.2 188,-0.8 1,-0.3 187,-0.4 0.795 95.8 6.1 -86.7 -35.6 11.2 -37.7 -14.7 13 22 A A E -ab 200 36A 0 22,-1.3 24,-2.8 186,-0.2 2,-0.4 -0.995 60.3-153.0-150.9 144.6 10.9 -33.9 -15.1 14 23 A V E -ab 201 37A 0 186,-2.0 188,-3.3 -2,-0.3 2,-0.6 -0.983 7.8-166.0-120.2 128.4 9.1 -31.5 -17.4 15 24 A V E -ab 202 38A 0 22,-2.9 2,-0.9 -2,-0.4 24,-0.6 -0.938 6.8-157.7-116.7 110.0 10.5 -28.0 -18.2 16 25 A V E +ab 203 39A 9 186,-3.1 188,-3.0 -2,-0.6 24,-0.2 -0.769 65.5 58.1 -86.2 104.8 8.0 -25.5 -19.8 17 26 A G - 0 0 10 22,-1.5 9,-0.2 -2,-0.9 188,-0.1 -0.174 50.5-162.7 138.0 125.8 10.3 -23.0 -21.5 18 27 A A + 0 0 4 4,-0.1 2,-0.3 186,-0.1 29,-0.2 0.335 64.9 97.5-111.7 2.3 13.1 -23.2 -24.1 19 28 A G S >> S- 0 0 12 185,-0.4 3,-1.6 27,-0.1 4,-0.9 -0.753 98.7 -66.8 -95.8 141.2 14.6 -19.8 -23.4 20 29 A G H 3> S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.200 131.8 37.0 25.6 -80.8 17.7 -19.2 -21.2 21 30 A A H 3> S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.958 123.8 40.1 -60.4 -58.3 16.2 -20.1 -17.9 22 31 A G H <> S+ 0 0 0 -3,-1.6 4,-1.9 182,-0.3 -2,-0.2 0.864 117.0 51.3 -60.3 -39.0 14.0 -23.1 -19.0 23 32 A L H X S+ 0 0 0 -4,-0.9 4,-1.9 2,-0.2 5,-0.3 0.903 111.2 46.5 -66.0 -43.9 16.7 -24.2 -21.4 24 33 A R H X S+ 0 0 10 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.858 114.5 48.6 -65.8 -36.9 19.4 -24.2 -18.7 25 34 A A H X S+ 0 0 0 -4,-2.3 4,-1.1 -5,-0.2 -2,-0.2 0.809 109.5 55.1 -70.4 -32.0 17.0 -26.0 -16.4 26 35 A A H X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 3,-0.5 0.984 117.7 28.7 -67.1 -61.8 16.2 -28.6 -19.1 27 36 A F H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.693 113.1 67.5 -76.4 -19.6 19.7 -29.8 -20.0 28 37 A G H X S+ 0 0 9 -4,-1.1 4,-0.9 -5,-0.3 -1,-0.2 0.838 104.4 43.9 -64.8 -35.7 20.9 -29.1 -16.5 29 38 A L H X>S+ 0 0 0 -4,-1.1 5,-1.8 -3,-0.5 4,-1.0 0.839 111.7 53.4 -73.9 -37.4 18.6 -31.9 -15.3 30 39 A S H <5S+ 0 0 8 -4,-1.2 -2,-0.2 1,-0.2 131,-0.2 0.815 107.0 52.0 -67.2 -32.6 19.7 -34.1 -18.2 31 40 A E H <5S+ 0 0 99 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.822 106.1 54.9 -70.0 -33.4 23.4 -33.6 -17.1 32 41 A A H <5S- 0 0 46 -4,-0.9 -2,-0.2 -5,-0.1 -1,-0.2 0.736 130.0 -96.3 -70.9 -24.9 22.4 -34.6 -13.6 33 42 A G T <5S+ 0 0 47 -4,-1.0 2,-0.3 1,-0.3 -3,-0.2 0.704 76.9 136.5 113.1 33.8 21.0 -37.9 -15.0 34 43 A F < - 0 0 7 -5,-1.8 2,-1.4 392,-0.1 -1,-0.3 -0.856 60.3-121.2-111.8 144.2 17.2 -37.2 -15.5 35 44 A N - 0 0 62 -2,-0.3 -23,-2.2 127,-0.1 -22,-1.3 -0.692 47.2-171.5 -79.4 91.8 14.9 -38.1 -18.4 36 45 A T E -b 13 0A 0 -2,-1.4 127,-2.0 125,-0.4 2,-0.4 -0.743 17.4-160.3-100.8 132.0 13.9 -34.5 -19.0 37 46 A A E -bc 14 163A 0 -24,-2.8 -22,-2.9 -2,-0.4 2,-0.5 -0.863 5.4-155.4-104.4 143.2 11.1 -33.3 -21.4 38 47 A C E -bc 15 164A 0 125,-2.6 127,-2.3 -2,-0.4 2,-0.5 -0.877 6.0-165.0-124.2 98.9 11.0 -29.7 -22.7 39 48 A V E +bc 16 165A 0 -24,-0.6 -22,-1.5 -2,-0.5 2,-0.3 -0.708 21.6 159.2 -83.1 123.9 7.6 -28.4 -23.7 40 49 A T E - c 0 166A 11 125,-2.1 128,-2.7 -2,-0.5 127,-0.9 -0.988 41.1-152.5-149.9 140.6 7.7 -25.3 -25.8 41 50 A K S S+ 0 0 35 126,-0.3 2,-0.2 -2,-0.3 128,-0.2 0.700 87.9 46.0 -81.4 -22.8 5.5 -23.5 -28.2 42 51 A L S S- 0 0 29 126,-0.2 125,-0.6 125,-0.1 126,-0.2 -0.660 98.9 -92.4-109.2 168.8 8.4 -21.9 -30.0 43 52 A F >> - 0 0 11 -2,-0.2 3,-1.3 123,-0.2 4,-0.5 -0.696 45.7-110.7 -75.8 137.4 11.7 -23.3 -31.3 44 53 A P G >4 S+ 0 0 0 0, 0.0 3,-0.7 0, 0.0 -24,-0.2 0.750 119.2 47.7 -39.3 -39.2 14.4 -22.8 -28.6 45 54 A T G 34 S+ 0 0 0 1,-0.2 5,-0.2 -26,-0.1 106,-0.1 0.843 101.9 63.1 -73.5 -35.3 16.2 -20.1 -30.7 46 55 A R G <4 S+ 0 0 7 -3,-1.3 -1,-0.2 631,-0.1 625,-0.1 0.501 82.4 114.6 -69.2 -3.7 12.9 -18.3 -31.5 47 56 A S S X< S- 0 0 12 -3,-0.7 3,-1.1 -4,-0.5 4,-0.2 -0.142 79.2-113.0 -63.8 161.9 12.6 -17.6 -27.7 48 57 A H G > S+ 0 0 53 1,-0.2 3,-2.8 2,-0.2 4,-0.4 0.765 101.9 84.1 -70.2 -25.1 12.9 -14.0 -26.4 49 58 A T G > S+ 0 0 22 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.739 83.8 69.5 -58.4 -17.3 16.1 -14.2 -24.5 50 59 A V G < S+ 0 0 4 -3,-1.1 97,-0.6 1,-0.2 -1,-0.3 0.876 85.6 64.8 -61.4 -40.3 17.5 -13.6 -28.1 51 60 A A G < S+ 0 0 10 -3,-2.8 2,-0.3 -4,-0.2 -1,-0.2 0.509 76.1 115.3 -66.4 -4.4 16.2 -10.0 -28.0 52 61 A A < + 0 0 27 -3,-1.0 94,-1.9 -4,-0.4 95,-0.8 -0.540 31.1 161.0 -71.4 129.1 18.6 -9.3 -25.1 53 62 A Q + 0 0 11 -2,-0.3 92,-0.3 92,-0.2 90,-0.3 0.674 55.6 64.4-122.0 -33.5 21.2 -6.7 -26.2 54 63 A G S S- 0 0 14 1,-0.2 89,-0.4 90,-0.1 2,-0.3 0.994 93.1-113.0 -63.0 -73.4 22.7 -5.1 -23.1 55 64 A G - 0 0 4 85,-0.1 2,-0.4 88,-0.1 351,-0.3 -0.993 21.2 -73.3 165.9-162.4 24.6 -8.0 -21.3 56 65 A I E -H 139 0B 0 83,-3.2 83,-2.4 -2,-0.3 2,-0.4 -0.999 41.6-121.7-135.3 130.5 24.9 -10.3 -18.3 57 66 A N E +H 138 0B 0 346,-1.5 2,-0.3 -2,-0.4 81,-0.2 -0.583 41.1 148.1 -84.1 127.9 26.1 -9.2 -14.8 58 67 A A - 0 0 0 79,-2.2 2,-1.7 -2,-0.4 3,-0.3 -0.923 43.2-137.3-155.5 130.3 29.1 -10.8 -13.1 59 68 A A + 0 0 12 33,-0.3 9,-0.2 -2,-0.3 7,-0.1 -0.464 50.6 142.2 -86.1 65.4 31.7 -9.4 -10.7 60 69 A L - 0 0 36 -2,-1.7 -1,-0.2 77,-0.2 77,-0.1 0.765 59.1-128.8 -76.1 -27.8 34.7 -11.1 -12.4 61 70 A G + 0 0 25 -3,-0.3 -2,-0.1 75,-0.2 76,-0.1 0.952 61.2 136.9 75.5 55.0 36.9 -8.1 -11.8 62 71 A N S S+ 0 0 15 74,-0.3 52,-0.1 55,-0.1 3,-0.1 0.729 75.6 28.9-102.5 -30.9 38.2 -7.6 -15.4 63 72 A M S S- 0 0 70 73,-0.5 2,-0.3 1,-0.5 74,-0.1 0.896 138.7 -4.4 -89.7 -68.2 38.0 -3.9 -15.8 64 73 A E S S- 0 0 42 72,-0.4 -1,-0.5 0, 0.0 2,-0.4 -0.787 95.4 -81.0-115.7 166.1 38.5 -2.7 -12.2 65 74 A E - 0 0 136 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 -0.574 61.1-174.9 -71.9 122.4 38.8 -4.9 -9.1 66 75 A D - 0 0 20 -2,-0.4 2,-0.4 -7,-0.1 61,-0.1 -0.753 23.1-146.9-122.8 161.3 35.3 -5.8 -8.1 67 76 A N >> - 0 0 50 -2,-0.3 3,-1.4 1,-0.1 4,-1.0 -0.999 17.0-140.1-130.6 134.9 33.4 -7.7 -5.3 68 77 A W H 3> S+ 0 0 37 -2,-0.4 4,-1.0 1,-0.3 -1,-0.1 0.693 104.7 64.0 -64.9 -19.0 30.2 -9.7 -5.7 69 78 A R H 3> S+ 0 0 64 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.725 98.3 53.6 -75.7 -24.6 29.0 -8.2 -2.5 70 79 A W H <> S+ 0 0 29 -3,-1.4 4,-1.4 2,-0.2 56,-0.3 0.787 107.7 50.7 -75.5 -30.7 29.0 -4.7 -4.1 71 80 A H H X S+ 0 0 0 -4,-1.0 4,-1.4 2,-0.2 -2,-0.2 0.749 105.3 58.2 -73.4 -27.3 26.8 -6.3 -6.8 72 81 A F H X S+ 0 0 1 -4,-1.0 4,-1.6 2,-0.2 -2,-0.2 0.890 105.8 48.2 -64.9 -42.9 24.6 -7.5 -4.0 73 82 A Y H X S+ 0 0 45 -4,-1.3 4,-2.5 1,-0.2 5,-0.2 0.866 109.6 51.7 -67.7 -39.0 24.1 -4.0 -2.7 74 83 A D H X S+ 0 0 0 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.844 111.2 47.4 -67.6 -35.4 23.2 -2.6 -6.2 75 84 A T H X S+ 0 0 2 -4,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.832 116.1 43.9 -74.7 -34.6 20.6 -5.3 -6.8 76 85 A V H <>S+ 0 0 0 -4,-1.6 5,-1.5 2,-0.2 7,-0.3 0.833 115.4 46.8 -80.9 -34.3 19.0 -4.8 -3.3 77 86 A K H ><5S+ 0 0 34 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.853 112.7 51.8 -71.7 -36.1 19.1 -1.0 -3.5 78 87 A G H 3<5S+ 0 0 0 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.801 102.4 59.5 -66.5 -31.4 17.6 -1.2 -7.0 79 88 A S T ><5S- 0 0 0 -4,-1.0 319,-1.8 319,-0.2 3,-1.3 0.463 106.7-128.5 -77.4 -2.7 14.8 -3.5 -5.7 80 89 A D T < 5 - 0 0 5 -3,-1.0 -3,-0.2 1,-0.2 -2,-0.1 0.800 63.0 -65.2 56.4 33.8 13.7 -0.6 -3.4 81 90 A W T 3 > - 0 0 1 310,-2.5 4,-1.7 309,-0.3 3,-0.8 -0.626 21.6-158.0 -73.9 112.3 14.3 -11.0 -1.2 85 94 A Q H 3> S+ 0 0 1 509,-2.5 4,-1.8 -2,-0.7 513,-0.3 0.661 87.3 63.8 -71.9 -18.6 17.8 -10.7 0.1 86 95 A D H 3> S+ 0 0 16 508,-0.3 4,-1.3 511,-0.2 -1,-0.3 0.830 109.0 41.8 -70.4 -33.3 18.2 -14.5 0.4 87 96 A A H <> S+ 0 0 1 -3,-0.8 4,-2.2 306,-0.2 -2,-0.2 0.855 111.7 54.0 -79.1 -39.5 17.8 -14.8 -3.4 88 97 A I H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.872 108.8 50.5 -63.8 -38.7 20.0 -11.8 -4.1 89 98 A H H X S+ 0 0 3 -4,-1.8 4,-1.8 1,-0.2 5,-0.2 0.952 112.3 46.9 -57.9 -51.9 22.8 -13.4 -2.1 90 99 A Y H X S+ 0 0 41 -4,-1.3 4,-1.2 1,-0.2 -2,-0.2 0.805 115.1 46.0 -63.9 -33.8 22.4 -16.6 -4.0 91 100 A M H < S+ 0 0 0 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.913 113.5 45.9 -76.5 -45.5 22.3 -14.9 -7.4 92 101 A T H < S+ 0 0 0 -4,-2.3 -33,-0.3 2,-0.2 -2,-0.2 0.766 113.7 49.2 -72.5 -28.0 25.3 -12.5 -6.9 93 102 A E H < S+ 0 0 89 -4,-1.8 4,-0.5 -5,-0.2 -1,-0.2 0.864 116.0 42.3 -76.4 -38.8 27.5 -15.3 -5.4 94 103 A Q S X S+ 0 0 37 -4,-1.2 4,-2.2 -5,-0.2 -2,-0.2 0.447 94.9 92.5 -83.7 -1.5 26.7 -17.6 -8.3 95 104 A A H > S+ 0 0 0 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.936 89.2 35.9 -60.1 -54.3 27.1 -14.7 -10.7 96 105 A P H > S+ 0 0 26 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.839 116.8 55.6 -71.6 -30.4 30.8 -15.0 -11.6 97 106 A A H > S+ 0 0 40 -4,-0.5 4,-1.5 1,-0.2 -2,-0.2 0.882 108.7 46.2 -66.1 -41.2 30.6 -18.8 -11.5 98 107 A S H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.820 113.0 48.2 -73.6 -34.5 27.7 -19.0 -14.1 99 108 A V H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.904 110.6 50.6 -73.2 -44.0 29.2 -16.6 -16.6 100 109 A V H X S+ 0 0 10 -4,-1.9 4,-1.5 1,-0.2 644,-0.3 0.871 111.7 50.6 -57.1 -39.0 32.6 -18.3 -16.5 101 110 A E H X S+ 0 0 19 -4,-1.5 4,-1.3 643,-0.2 -2,-0.2 0.921 108.6 50.7 -62.8 -47.3 30.6 -21.5 -17.1 102 111 A L H X>S+ 0 0 1 -4,-2.1 5,-2.0 1,-0.2 4,-1.3 0.848 107.9 52.8 -60.4 -38.2 28.8 -19.9 -20.1 103 112 A E H <5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.867 109.9 48.2 -65.7 -38.4 32.1 -18.7 -21.6 104 113 A N H <5S+ 0 0 2 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.707 104.4 61.5 -74.0 -22.3 33.4 -22.3 -21.4 105 114 A Y H <5S- 0 0 8 -4,-1.3 630,-1.5 -5,-0.1 -1,-0.2 0.830 131.2 -87.1 -70.6 -35.9 30.2 -23.5 -23.0 106 115 A G T <5S+ 0 0 0 -4,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.408 72.8 150.2 143.0 4.8 30.9 -21.5 -26.1 107 116 A M < - 0 0 0 -5,-2.0 2,-2.2 1,-0.1 -1,-0.2 -0.519 42.6-139.6 -69.2 112.8 29.6 -18.0 -25.6 108 117 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.439 27.7-172.0 -79.4 72.0 31.9 -15.7 -27.7 109 118 A F - 0 0 0 -2,-2.2 32,-0.2 1,-0.1 2,-0.0 -0.223 30.8 -97.5 -59.6 149.3 32.1 -12.8 -25.2 110 119 A S - 0 0 7 30,-1.9 8,-2.9 8,-0.2 2,-0.3 -0.350 46.4-137.7 -65.4 152.1 33.9 -9.5 -26.4 111 120 A R B -J 117 0C 5 6,-0.2 6,-0.2 641,-0.1 2,-0.1 -0.757 13.8-154.4-121.8 159.5 37.5 -9.3 -25.3 112 121 A T - 0 0 28 4,-1.1 640,-0.3 -2,-0.3 638,-0.1 -0.408 48.3 -79.4-113.0-167.9 40.0 -6.7 -23.9 113 122 A E S S+ 0 0 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4,-1.7 2,-0.2 -1,-0.2 0.935 106.5 45.0 -60.1 -49.7 33.3 -13.2 -73.7 983 134 C V H X S+ 0 0 74 -4,-1.1 4,-2.2 1,-0.2 5,-0.3 0.906 115.5 46.9 -62.5 -44.7 32.1 -11.0 -76.6 984 135 C L H X S+ 0 0 116 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.873 115.4 43.8 -68.4 -40.8 35.5 -9.6 -77.4 985 136 C S H X S+ 0 0 17 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.747 114.3 51.6 -76.6 -25.3 37.3 -13.0 -77.4 986 137 C S H X S+ 0 0 0 -4,-1.7 4,-0.5 -5,-0.2 -2,-0.2 0.886 117.6 36.4 -76.5 -42.3 34.5 -14.6 -79.4 987 138 C V H X S+ 0 0 61 -4,-2.2 4,-0.9 -5,-0.2 -2,-0.2 0.876 117.3 53.6 -75.5 -40.4 34.5 -12.0 -82.1 988 139 C G H < S+ 0 0 44 -4,-2.1 3,-0.3 -5,-0.3 -3,-0.2 0.882 112.6 41.0 -62.8 -43.7 38.3 -11.6 -82.0 989 140 C L H < S+ 0 0 51 -4,-1.4 3,-0.3 1,-0.2 -1,-0.2 0.589 106.0 65.2 -84.0 -12.6 39.1 -15.3 -82.5 990 141 C A H < S+ 0 0 8 -4,-0.5 2,-0.8 1,-0.2 -1,-0.2 0.755 95.4 61.4 -76.2 -26.7 36.3 -15.7 -85.1 991 142 C A < 0 0 74 -4,-0.9 -1,-0.2 -3,-0.3 -4,-0.0 -0.516 360.0 360.0-100.4 62.8 38.2 -13.3 -87.5 992 143 C M 0 0 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-4,-1.1 4,-1.0 2,-0.2 3,-0.3 0.930 111.5 44.7 -64.3 -48.6 38.3 -31.3 -55.3 1003 44 D T H X S+ 0 0 40 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.833 108.3 59.1 -64.8 -34.6 42.0 -30.1 -55.6 1004 45 D G H X S+ 0 0 18 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.825 103.3 52.1 -61.9 -34.7 42.5 -32.6 -58.5 1005 46 D E H X S+ 0 0 19 -4,-1.3 4,-0.7 -3,-0.3 -1,-0.2 0.781 112.0 45.9 -69.6 -30.7 39.7 -30.8 -60.3 1006 47 D R H X S+ 0 0 64 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.750 107.6 57.6 -83.5 -27.8 41.5 -27.4 -59.7 1007 48 D V H X S+ 0 0 88 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.917 111.0 41.6 -67.0 -45.3 44.9 -28.9 -60.7 1008 49 D V H X S+ 0 0 12 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.740 109.5 61.9 -72.9 -23.6 43.5 -29.8 -64.2 1009 50 D S H X S+ 0 0 20 -4,-0.7 4,-1.3 2,-0.2 -2,-0.2 0.912 110.1 37.5 -67.9 -45.2 41.6 -26.5 -64.4 1010 51 D V H X S+ 0 0 84 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.698 117.2 54.7 -77.6 -21.1 44.9 -24.4 -64.2 1011 52 D L H X S+ 0 0 94 -4,-1.1 4,-0.7 2,-0.2 -2,-0.2 0.896 110.1 44.0 -75.4 -43.8 46.5 -27.1 -66.4 1012 53 D L H X S+ 0 0 27 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.790 114.0 51.3 -71.5 -30.1 43.9 -26.8 -69.1 1013 54 D L H < S+ 0 0 60 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.803 110.5 49.6 -72.9 -31.7 44.0 -23.0 -68.8 1014 55 D G H < S+ 0 0 44 -4,-1.0 4,-0.4 1,-0.2 -2,-0.2 0.608 107.9 54.9 -81.3 -14.1 47.8 -23.1 -69.2 1015 56 D L H X S+ 0 0 20 -4,-0.7 4,-2.5 2,-0.2 5,-0.2 0.742 91.6 69.4 -91.2 -28.1 47.6 -25.4 -72.3 1016 57 D L H X S+ 0 0 63 -4,-1.0 4,-0.9 1,-0.2 -2,-0.1 0.895 108.8 35.3 -61.9 -45.0 45.3 -23.3 -74.5 1017 58 D P H > S+ 0 0 68 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.777 116.6 57.7 -75.3 -24.7 47.9 -20.5 -75.0 1018 59 D A H > S+ 0 0 30 -4,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.807 104.6 50.0 -71.6 -32.5 50.6 -23.2 -75.0 1019 60 D A H < S+ 0 0 18 -4,-2.5 -1,-0.2 2,-0.2 -3,-0.1 0.779 114.1 45.6 -75.2 -29.7 48.9 -25.1 -77.9 1020 61 D Y H < S+ 0 0 160 -4,-0.9 -2,-0.2 -5,-0.2 -1,-0.1 0.914 121.8 35.4 -76.8 -47.9 48.7 -21.8 -79.9 1021 62 D L H < S+ 0 0 141 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.884 132.1 28.4 -74.8 -41.6 52.3 -20.7 -79.3 1022 63 D N S < S+ 0 0 91 -4,-2.2 2,-0.8 -5,-0.2 -1,-0.3 -0.742 72.1 179.7-125.0 83.0 53.9 -24.2 -79.3 1023 64 D P + 0 0 81 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.751 26.0 137.2 -87.9 108.3 51.9 -26.6 -81.5 1024 65 D C > - 0 0 48 -2,-0.8 4,-1.2 1,-0.1 62,-0.2 -0.868 67.5 -97.3-142.0 173.7 53.6 -30.0 -81.5 1025 66 D S H > S+ 0 0 74 -2,-0.3 4,-0.9 1,-0.2 3,-0.1 0.842 123.3 51.7 -62.0 -36.8 52.9 -33.8 -81.2 1026 67 D A H > S+ 0 0 73 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.805 106.5 54.0 -69.8 -31.7 53.6 -33.7 -77.5 1027 68 D M H > S+ 0 0 28 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.750 99.7 63.6 -73.4 -26.1 51.1 -30.8 -77.0 1028 69 D D H X S+ 0 0 9 -4,-1.2 4,-1.0 2,-0.2 -1,-0.2 0.878 107.6 40.0 -64.4 -41.1 48.4 -32.9 -78.8 1029 70 D Y H X S+ 0 0 72 -4,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.859 113.3 52.4 -79.5 -38.9 48.4 -35.6 -76.1 1030 71 D S H X S+ 0 0 44 -4,-1.5 4,-1.1 1,-0.2 -2,-0.2 0.819 112.3 47.2 -66.3 -33.0 48.8 -33.3 -73.1 1031 72 D L H X S+ 0 0 19 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.799 114.2 47.7 -75.8 -31.8 45.8 -31.3 -74.3 1032 73 D A H X S+ 0 0 0 -4,-1.0 4,-1.4 2,-0.2 -2,-0.2 0.842 110.7 50.5 -76.0 -36.9 43.8 -34.5 -74.9 1033 74 D A H X S+ 0 0 44 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.808 116.7 41.0 -70.5 -32.0 44.6 -35.9 -71.5 1034 75 D A H X S+ 0 0 3 -4,-1.1 4,-1.7 -5,-0.2 -2,-0.2 0.788 112.3 54.5 -84.8 -31.5 43.5 -32.7 -69.8 1035 76 D L H X S+ 0 0 56 -4,-1.4 4,-0.8 1,-0.2 -2,-0.2 0.813 113.6 40.4 -73.5 -33.0 40.5 -32.1 -71.9 1036 77 D T H X S+ 0 0 18 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.788 115.1 50.1 -86.6 -32.1 39.0 -35.6 -71.3 1037 78 D L H X S+ 0 0 65 -4,-0.9 4,-2.0 2,-0.2 5,-0.2 0.918 111.1 48.2 -72.3 -46.3 39.8 -35.8 -67.6 1038 79 D H H X S+ 0 0 52 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.871 113.9 48.1 -60.9 -40.4 38.4 -32.3 -66.8 1039 80 D G H X S+ 0 0 11 -4,-0.8 4,-2.9 2,-0.2 5,-0.3 0.859 108.2 54.5 -67.6 -38.1 35.2 -33.2 -68.7 1040 81 D H H X S+ 0 0 44 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.880 114.6 39.1 -65.2 -41.6 34.9 -36.6 -66.9 1041 82 D W H X S+ 0 0 70 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.694 114.0 59.4 -77.7 -21.6 35.0 -35.0 -63.5 1042 83 D G H >X S+ 0 0 32 -4,-1.2 4,-0.7 -5,-0.2 3,-0.6 0.964 112.5 34.1 -68.7 -56.5 32.8 -32.2 -64.9 1043 84 D I H 3X S+ 0 0 38 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.765 110.6 68.1 -69.3 -27.0 29.9 -34.4 -65.9 1044 85 D G H 3X S+ 0 0 11 -4,-1.1 4,-1.4 -5,-0.3 -1,-0.2 0.842 99.8 49.1 -57.2 -35.7 30.7 -36.5 -62.8 1045 86 D Q H S- 0 0 47 -2,-0.3 4,-0.8 3,-0.1 5,-0.1 -0.269 75.0 -99.1 115.7 162.6 18.7 -43.2 -56.7 1054 95 D D H > S+ 0 0 130 2,-0.1 4,-0.6 3,-0.1 -1,-0.1 0.810 120.4 36.8 -84.4 -35.6 20.9 -46.1 -55.7 1055 96 D A H > S+ 0 0 83 2,-0.1 4,-1.0 3,-0.1 -2,-0.1 0.788 116.7 51.0 -87.7 -32.4 20.6 -48.0 -59.0 1056 97 D L H > S+ 0 0 115 -4,-0.2 4,-1.9 2,-0.2 5,-0.2 0.885 106.6 51.1 -75.0 -42.0 20.5 -45.0 -61.4 1057 98 D Q H X S+ 0 0 41 -4,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.882 111.4 47.9 -65.6 -40.4 23.6 -43.1 -60.2 1058 99 D K H X S+ 0 0 151 -4,-0.6 4,-1.4 2,-0.2 -1,-0.2 0.817 112.5 49.9 -69.0 -32.3 25.8 -46.2 -60.4 1059 100 D A H X S+ 0 0 65 -4,-1.0 4,-1.3 2,-0.2 -2,-0.2 0.819 112.5 47.1 -73.4 -33.7 24.4 -46.9 -63.9 1060 101 D A H X S+ 0 0 30 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.842 111.0 50.7 -76.1 -36.7 25.1 -43.3 -65.0 1061 102 D K H X S+ 0 0 81 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.833 111.6 48.2 -69.0 -35.1 28.7 -43.3 -63.5 1062 103 D A H X S+ 0 0 62 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.827 112.9 48.9 -71.8 -34.5 29.4 -46.6 -65.4 1063 104 D G H X S+ 0 0 42 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.840 111.3 48.7 -72.5 -36.7 28.0 -45.1 -68.6 1064 105 D L H X S+ 0 0 19 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.833 107.7 55.3 -71.3 -35.0 30.1 -41.9 -68.2 1065 106 D L H X S+ 0 0 110 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.864 110.5 45.5 -64.9 -38.1 33.2 -43.9 -67.6 1066 107 D A H X S+ 0 0 51 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.836 112.7 50.9 -72.3 -35.5 32.7 -45.8 -70.8 1067 108 D L H X S+ 0 0 65 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.874 112.4 46.2 -69.0 -39.3 31.9 -42.5 -72.7 1068 109 D S H X S+ 0 0 18 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.856 110.4 52.9 -71.2 -38.0 35.1 -40.9 -71.3 1069 110 D A H X S+ 0 0 57 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.870 110.4 47.5 -65.6 -39.2 37.3 -43.9 -72.2 1070 111 D F H X S+ 0 0 112 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.766 111.4 52.3 -71.3 -28.1 36.0 -43.8 -75.8 1071 112 D T H X S+ 0 0 4 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.896 111.8 43.7 -74.6 -43.0 36.6 -40.1 -76.0 1072 113 D F H X S+ 0 0 86 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.856 114.1 50.1 -71.1 -37.1 40.3 -40.3 -74.8 1073 114 D A H X S+ 0 0 50 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.810 110.2 51.9 -69.8 -31.8 41.1 -43.3 -77.0 1074 115 D G H X S+ 0 0 0 -4,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.881 109.8 47.3 -70.6 -41.4 39.6 -41.5 -80.0 1075 116 D L H X S+ 0 0 3 -4,-1.7 4,-1.4 2,-0.2 10,-0.2 0.856 111.0 50.9 -70.2 -37.9 41.7 -38.4 -79.5 1076 117 D C H X S+ 0 0 31 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.861 111.3 49.0 -65.5 -37.4 44.9 -40.3 -79.0 1077 118 D Y H X>S+ 0 0 114 -4,-1.4 4,-1.8 1,-0.2 5,-0.7 0.818 110.3 51.7 -67.6 -33.5 44.1 -42.2 -82.2 1078 119 D F H <5S+ 0 0 8 -4,-1.5 6,-0.5 3,-0.2 -2,-0.2 0.754 112.2 46.4 -73.5 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