==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-JAN-09 2W8N . COMPND 2 MOLECULE: SUCCINATE-SEMIALDEHYDE DEHYDROGENASE, . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.-G.KIM,K.-J.KIM . 480 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20068.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 31 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 1 0 1 1 3 2 0 1 0 1 2 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 3 2 1 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 . 3 1 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 1 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 56 A A 0 0 115 0, 0.0 3,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-142.4 18.4 -34.4 -41.6 2 57 A A + 0 0 52 1,-0.2 185,-0.0 182,-0.0 0, 0.0 -0.007 360.0 93.6-100.6 24.9 19.8 -37.7 -40.4 3 58 A L + 0 0 4 184,-0.1 2,-0.7 2,-0.0 184,-0.2 0.763 62.0 81.5 -86.5 -32.1 19.7 -38.9 -44.0 4 59 A L + 0 0 92 -3,-0.4 2,-0.3 180,-0.1 177,-0.1 -0.693 65.9 176.4 -80.6 116.6 23.2 -37.9 -45.0 5 60 A R - 0 0 63 -2,-0.7 178,-0.2 175,-0.2 179,-0.1 -0.899 31.5-175.8-125.0 153.3 25.5 -40.7 -43.7 6 61 A T + 0 0 54 -2,-0.3 30,-3.5 29,-0.1 2,-0.2 0.493 63.2 82.7-121.5 -10.9 29.2 -41.5 -44.0 7 62 A D S S- 0 0 51 28,-0.2 2,-0.1 1,-0.1 -2,-0.0 -0.582 81.8-106.8 -95.2 159.3 29.4 -44.9 -42.3 8 63 A S E -A 15 0A 2 7,-2.3 7,-2.4 -2,-0.2 2,-0.6 -0.367 30.0-130.3 -75.6 162.8 28.7 -48.3 -43.9 9 64 A F E +AB 14 201A 9 192,-2.4 192,-2.5 5,-0.2 2,-0.4 -0.935 38.2 157.9-122.5 108.3 25.4 -50.0 -42.9 10 65 A V E > -A 13 0A 15 3,-2.6 3,-1.7 -2,-0.6 190,-0.1 -0.992 64.6 -6.7-136.5 130.9 25.8 -53.7 -41.9 11 66 A G T 3 S- 0 0 23 -2,-0.4 185,-0.2 1,-0.3 -1,-0.1 0.858 128.5 -55.3 57.8 36.9 23.6 -55.9 -39.7 12 67 A G T 3 S+ 0 0 28 187,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.536 118.4 106.8 75.3 6.9 21.4 -52.9 -38.9 13 68 A R E < S-A 10 0A 178 -3,-1.7 -3,-2.6 2,-0.0 2,-0.7 -0.884 72.0-120.6-123.2 152.4 24.3 -50.9 -37.6 14 69 A W E -A 9 0A 56 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.0 -0.792 37.2-176.8 -89.1 116.3 26.4 -47.9 -38.7 15 70 A L E -A 8 0A 78 -7,-2.4 -7,-2.3 -2,-0.7 2,-0.1 -0.962 16.4-149.4-123.8 124.6 30.0 -49.0 -39.0 16 71 A P - 0 0 87 0, 0.0 2,-0.2 0, 0.0 -9,-0.1 -0.410 20.2-135.5 -80.4 162.6 33.1 -46.9 -39.9 17 72 A A - 0 0 19 2,-0.4 21,-0.1 -2,-0.1 0, 0.0 -0.650 26.6-100.4-114.1 174.0 36.0 -48.5 -41.8 18 73 A A S S+ 0 0 110 -2,-0.2 2,-0.2 19,-0.2 20,-0.1 0.880 107.5 26.7 -60.6 -36.7 39.7 -48.3 -41.3 19 74 A A - 0 0 48 18,-0.5 18,-2.4 2,-0.0 -2,-0.4 -0.677 68.6-157.3-121.1 174.8 39.9 -45.8 -44.2 20 75 A T E -H 36 0B 72 16,-0.3 16,-0.2 -2,-0.2 14,-0.1 -0.940 5.9-146.2-146.3 164.7 37.6 -43.3 -45.9 21 76 A F E -H 35 0B 14 14,-2.1 14,-2.3 -2,-0.3 2,-0.1 -0.991 24.2-110.2-137.8 145.3 37.3 -41.5 -49.2 22 77 A P E -H 34 0B 76 0, 0.0 2,-0.5 0, 0.0 12,-0.2 -0.452 20.2-160.7 -76.8 145.4 36.2 -38.0 -50.2 23 78 A V E -H 33 0B 6 10,-1.4 9,-3.4 -2,-0.1 10,-1.1 -0.996 15.2-170.4-125.6 123.4 32.9 -37.3 -52.0 24 79 A Q E -H 31 0B 113 -2,-0.5 7,-0.2 7,-0.2 6,-0.1 -0.878 32.2-103.2-119.4 150.4 32.7 -33.9 -53.7 25 80 A D > - 0 0 14 5,-2.6 4,-2.4 -2,-0.3 65,-0.2 -0.534 28.5-145.7 -66.6 120.1 29.9 -32.0 -55.4 26 81 A P T 4 S+ 0 0 7 0, 0.0 337,-0.3 0, 0.0 -1,-0.2 0.727 95.4 45.8 -63.6 -19.2 30.6 -32.4 -59.1 27 82 A A T 4 S+ 0 0 5 62,-0.3 336,-0.3 300,-0.1 337,-0.1 0.935 128.9 17.7 -87.0 -54.3 29.3 -28.9 -59.8 28 83 A S T 4 S- 0 0 51 2,-0.1 3,-0.1 334,-0.1 -1,-0.0 0.679 90.1-128.2 -93.9 -22.9 31.0 -26.8 -57.1 29 84 A G < + 0 0 38 -4,-2.4 3,-0.1 1,-0.3 333,-0.0 0.360 56.0 150.6 89.1 -6.7 33.8 -29.0 -56.0 30 85 A A - 0 0 50 -6,-0.1 -5,-2.6 1,-0.1 2,-0.3 -0.245 53.9-104.9 -62.0 144.7 32.8 -28.6 -52.4 31 86 A A E -H 24 0B 90 -7,-0.2 -7,-0.2 1,-0.2 -1,-0.1 -0.542 33.4-177.9 -72.6 129.5 33.5 -31.5 -49.9 32 87 A L E - 0 0 50 -9,-3.4 2,-0.3 1,-0.3 -8,-0.2 0.764 55.6 -57.0 -98.0 -32.4 30.3 -33.4 -49.1 33 88 A G E -H 23 0B 19 -10,-1.1 -10,-1.4 2,-0.0 2,-0.7 -0.905 42.2 -92.3 165.4 165.7 31.8 -35.9 -46.6 34 89 A M E -H 22 0B 97 -2,-0.3 2,-0.3 -12,-0.2 3,-0.0 -0.904 45.7-161.7-103.3 108.4 34.3 -38.6 -45.7 35 90 A V E -H 21 0B 0 -14,-2.3 -14,-2.1 -2,-0.7 -28,-0.2 -0.711 27.5 -95.6 -97.3 143.5 32.6 -41.9 -46.4 36 91 A A E -H 20 0B 1 -30,-3.5 2,-0.7 -2,-0.3 -16,-0.3 -0.230 30.6-147.0 -52.0 137.0 33.7 -45.3 -45.0 37 92 A D - 0 0 12 -18,-2.4 -18,-0.5 167,-0.1 167,-0.3 -0.764 19.7-154.1-112.4 82.7 36.0 -47.1 -47.5 38 93 A C - 0 0 0 165,-2.7 2,-0.2 -2,-0.7 174,-0.2 -0.238 9.6-162.7 -60.2 140.8 35.1 -50.7 -46.9 39 94 A G > - 0 0 14 165,-0.1 4,-1.8 172,-0.1 3,-0.2 -0.512 41.9 -77.3-113.5-176.1 37.6 -53.4 -47.6 40 95 A V H > S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.851 126.9 57.0 -49.9 -43.5 37.5 -57.2 -48.2 41 96 A R H > S+ 0 0 198 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.957 110.0 43.6 -55.4 -54.4 37.2 -57.8 -44.4 42 97 A E H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.796 110.1 57.4 -63.2 -29.8 34.1 -55.7 -44.1 43 98 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.904 107.5 46.4 -68.9 -41.3 32.6 -57.1 -47.3 44 99 A R H X S+ 0 0 123 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.902 111.5 52.5 -66.6 -39.9 32.7 -60.7 -45.9 45 100 A A H X S+ 0 0 33 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.896 109.9 48.5 -62.0 -41.1 31.2 -59.5 -42.7 46 101 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.909 109.6 52.2 -66.1 -42.5 28.4 -57.8 -44.6 47 102 A V H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.940 109.5 49.9 -58.7 -47.0 27.8 -61.0 -46.6 48 103 A R H X S+ 0 0 126 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.903 110.5 49.7 -58.2 -42.4 27.6 -63.0 -43.3 49 104 A A H X S+ 0 0 24 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.910 113.4 46.1 -63.7 -41.5 25.1 -60.6 -41.9 50 105 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.907 112.6 51.5 -67.2 -40.8 23.0 -60.8 -45.1 51 106 A Y H X S+ 0 0 95 -4,-3.1 4,-1.4 2,-0.2 -2,-0.2 0.903 112.2 43.9 -63.6 -44.6 23.3 -64.6 -45.0 52 107 A E H X S+ 0 0 111 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.865 112.9 52.2 -70.9 -33.2 22.2 -65.0 -41.4 53 108 A A H >X S+ 0 0 8 -4,-2.0 4,-3.3 -5,-0.3 3,-1.1 0.891 103.3 61.0 -67.5 -37.3 19.4 -62.5 -42.0 54 109 A F H 3X S+ 0 0 11 -4,-2.2 4,-2.9 1,-0.3 5,-0.3 0.935 94.7 59.5 -53.2 -53.2 18.2 -64.5 -45.0 55 110 A C H 3< S+ 0 0 52 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.753 117.7 33.3 -49.8 -26.9 17.6 -67.6 -43.0 56 111 A R H XX S+ 0 0 177 -3,-1.1 3,-1.1 -4,-0.6 4,-0.5 0.847 115.6 54.3 -95.7 -45.2 15.0 -65.6 -41.0 57 112 A W H >< S+ 0 0 3 -4,-3.3 3,-1.3 1,-0.3 -2,-0.2 0.857 101.0 59.4 -58.3 -39.9 13.7 -63.2 -43.6 58 113 A R T 3< S+ 0 0 114 -4,-2.9 -1,-0.3 1,-0.3 -3,-0.1 0.773 104.6 54.7 -60.2 -25.5 12.8 -66.1 -46.0 59 114 A E T <4 S+ 0 0 142 -3,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.606 84.2 100.5 -84.0 -17.4 10.5 -67.2 -43.1 60 115 A V S << S- 0 0 42 -3,-1.3 5,-0.0 -4,-0.5 -3,-0.0 -0.497 86.1-102.1 -70.7 140.5 8.7 -63.9 -42.8 61 116 A S > - 0 0 71 -2,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.255 22.5-120.4 -63.2 151.1 5.3 -64.0 -44.5 62 117 A A H > S+ 0 0 33 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.876 114.7 55.7 -59.4 -37.3 5.0 -62.4 -47.9 63 118 A K H > S+ 0 0 125 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.888 109.3 46.0 -63.8 -38.0 2.3 -60.1 -46.5 64 119 A E H > S+ 0 0 83 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.911 113.9 47.0 -71.2 -42.8 4.7 -58.9 -43.8 65 120 A R H X S+ 0 0 19 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.886 112.8 52.1 -65.7 -34.7 7.6 -58.4 -46.2 66 121 A S H X S+ 0 0 15 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.923 109.2 48.9 -64.2 -44.8 5.1 -56.6 -48.4 67 122 A S H X S+ 0 0 44 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.895 110.9 50.0 -62.3 -42.9 4.1 -54.3 -45.6 68 123 A L H X S+ 0 0 10 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.884 109.0 51.7 -64.8 -39.9 7.7 -53.6 -44.7 69 124 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.878 109.8 50.3 -65.3 -36.6 8.5 -52.7 -48.3 70 125 A R H X S+ 0 0 75 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.910 107.5 52.0 -69.4 -40.3 5.6 -50.3 -48.4 71 126 A K H X S+ 0 0 106 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.901 108.9 51.7 -60.2 -39.6 6.6 -48.6 -45.2 72 127 A W H X S+ 0 0 2 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.892 110.3 49.6 -63.0 -39.3 10.0 -48.1 -46.7 73 128 A Y H X S+ 0 0 29 -4,-1.8 4,-2.3 2,-0.2 3,-0.5 0.964 109.0 50.5 -63.9 -52.0 8.2 -46.6 -49.8 74 129 A N H X S+ 0 0 66 -4,-3.1 4,-2.4 1,-0.3 -1,-0.2 0.855 108.5 53.1 -55.3 -37.7 6.1 -44.2 -47.6 75 130 A L H X S+ 0 0 21 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.3 0.870 106.5 53.0 -67.2 -34.8 9.3 -43.0 -45.9 76 131 A M H >< S+ 0 0 0 -4,-1.6 3,-0.5 -3,-0.5 -2,-0.2 0.952 110.7 46.2 -64.6 -47.2 10.9 -42.3 -49.2 77 132 A I H >< S+ 0 0 49 -4,-2.3 3,-1.4 1,-0.2 4,-0.3 0.915 109.3 55.2 -60.4 -43.0 7.9 -40.2 -50.3 78 133 A Q H 3< S+ 0 0 141 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.773 119.8 32.2 -61.3 -27.8 7.9 -38.4 -46.9 79 134 A N T + 0 0 72 -3,-1.4 4,-1.6 1,-0.2 -1,-0.1 0.786 70.0 52.7 -53.5 -34.9 11.5 -37.1 -51.1 81 136 A D H > S+ 0 0 83 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.944 113.2 42.2 -69.5 -44.9 12.8 -33.5 -51.3 82 137 A D H > S+ 0 0 69 -3,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.866 112.8 54.5 -67.8 -34.5 15.9 -34.1 -49.1 83 138 A L H X S+ 0 0 5 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.855 108.9 49.6 -66.1 -33.0 16.5 -37.4 -51.0 84 139 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.3 -2,-0.2 0.858 106.6 54.3 -73.0 -37.1 16.4 -35.4 -54.2 85 140 A R H X S+ 0 0 118 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.891 105.9 53.8 -64.9 -36.6 18.9 -32.9 -52.9 86 141 A I H X S+ 0 0 18 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.922 108.0 49.4 -63.5 -43.3 21.3 -35.7 -52.0 87 142 A I H X>S+ 0 0 0 -4,-1.5 4,-3.3 1,-0.2 5,-0.7 0.944 113.2 46.2 -61.0 -47.2 21.2 -37.0 -55.6 88 143 A T H X5S+ 0 0 2 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.887 111.0 53.8 -62.1 -39.7 21.8 -33.5 -57.1 89 144 A A H <5S+ 0 0 16 -4,-2.6 -62,-0.3 -5,-0.2 -1,-0.2 0.906 121.4 28.2 -62.9 -43.7 24.6 -32.9 -54.6 90 145 A E H <5S+ 0 0 1 -4,-2.3 -2,-0.2 -65,-0.2 -3,-0.2 0.827 132.0 32.0 -91.1 -33.9 26.5 -36.1 -55.5 91 146 A S H <5S- 0 0 3 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.675 93.0-137.8 -95.3 -20.4 25.5 -36.8 -59.1 92 147 A G << + 0 0 2 -4,-1.2 226,-0.3 -5,-0.7 -4,-0.2 0.294 50.6 145.1 83.3 -11.6 25.2 -33.1 -60.1 93 148 A K - 0 0 24 -6,-0.4 -1,-0.3 233,-0.1 -2,-0.1 -0.285 61.3 -87.6 -61.6 145.1 22.0 -33.7 -62.1 94 149 A P > - 0 0 6 0, 0.0 4,-2.2 0, 0.0 3,-0.4 -0.143 37.6-111.5 -52.5 146.5 19.5 -30.8 -61.9 95 150 A L H > S+ 0 0 27 223,-2.2 4,-3.2 1,-0.2 5,-0.3 0.870 115.5 56.4 -47.2 -49.3 17.0 -30.9 -59.1 96 151 A K H > S+ 0 0 150 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.932 110.1 45.3 -51.7 -49.7 14.0 -31.6 -61.4 97 152 A E H > S+ 0 0 27 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.892 112.6 52.1 -61.8 -38.7 15.7 -34.7 -62.8 98 153 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.897 108.4 49.9 -64.0 -41.7 16.6 -35.7 -59.2 99 154 A H H X S+ 0 0 58 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.876 109.8 53.3 -63.1 -37.9 13.0 -35.3 -58.1 100 155 A G H X S+ 0 0 14 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.903 108.7 48.1 -64.3 -42.3 12.1 -37.5 -61.1 101 156 A E H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.926 107.8 54.7 -65.8 -44.4 14.5 -40.2 -60.1 102 157 A I H X S+ 0 0 2 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.899 106.4 51.7 -57.1 -41.8 13.4 -40.3 -56.5 103 158 A L H X S+ 0 0 69 -4,-1.8 4,-3.4 2,-0.2 -1,-0.2 0.960 113.1 44.8 -59.2 -50.7 9.8 -40.8 -57.6 104 159 A Y H X S+ 0 0 57 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.907 113.1 51.6 -57.8 -44.5 10.8 -43.8 -59.7 105 160 A S H X S+ 0 0 0 -4,-3.2 4,-1.3 2,-0.2 3,-0.4 0.939 113.6 43.3 -58.6 -49.5 13.1 -45.1 -57.0 106 161 A A H >X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 3,-0.5 0.946 109.7 57.4 -62.4 -47.5 10.2 -44.9 -54.5 107 162 A F H 3X S+ 0 0 71 -4,-3.4 4,-2.7 -5,-0.2 -1,-0.2 0.771 101.0 58.2 -56.5 -26.3 7.8 -46.4 -57.0 108 163 A F H 3X S+ 0 0 1 -4,-1.5 4,-2.5 -3,-0.4 5,-0.3 0.923 105.9 47.5 -70.5 -41.8 10.1 -49.4 -57.3 109 164 A L H < S+ 0 0 78 -4,-1.5 3,-0.5 -3,-0.5 -1,-0.2 0.791 110.4 56.1 -75.6 -29.6 2.8 -55.5 -54.3 115 170 A E H >< S+ 0 0 25 -4,-1.3 3,-2.4 1,-0.2 -2,-0.2 0.795 89.2 77.9 -71.9 -30.5 4.6 -58.3 -56.1 116 171 A A G >< S+ 0 0 2 -4,-2.1 3,-0.6 1,-0.3 -1,-0.2 0.802 94.5 46.4 -51.1 -36.0 5.7 -59.9 -52.9 117 172 A R G < S+ 0 0 123 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.406 104.1 66.7 -90.2 5.8 2.3 -61.5 -52.3 118 173 A R G < + 0 0 125 -3,-2.4 2,-1.1 -56,-0.1 -1,-0.2 0.002 55.0 128.9-117.5 30.5 2.0 -62.7 -55.9 119 174 A V < - 0 0 47 -3,-0.6 2,-0.4 18,-0.0 18,-0.2 -0.757 46.0-165.2 -84.4 102.5 4.8 -65.3 -56.2 120 175 A Y - 0 0 150 -2,-1.1 2,-0.1 16,-0.1 -2,-0.1 -0.794 14.3-158.3-101.8 133.7 2.7 -68.2 -57.6 121 176 A G - 0 0 43 -2,-0.4 2,-0.3 16,-0.1 15,-0.2 -0.363 20.9-123.1 -92.0 178.0 3.5 -71.8 -57.8 122 177 A D E -I 135 0C 77 13,-1.8 13,-2.7 -2,-0.1 2,-0.5 -0.861 9.1-149.9-126.9 161.7 1.9 -74.3 -60.3 123 178 A I E -I 134 0C 134 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.997 28.1-165.5-126.3 117.9 -0.0 -77.5 -60.3 124 179 A I E -I 133 0C 86 9,-2.7 9,-1.1 -2,-0.5 2,-0.3 -0.887 18.8-122.0-115.1 141.0 0.6 -79.5 -63.5 125 180 A H - 0 0 182 -2,-0.4 7,-0.1 7,-0.1 3,-0.1 -0.590 29.7-178.3 -77.2 134.5 -1.1 -82.4 -65.0 126 181 A T - 0 0 52 -2,-0.3 5,-0.1 5,-0.3 7,-0.0 -0.977 34.3-119.5-131.2 144.7 1.0 -85.6 -65.6 127 182 A P S S+ 0 0 129 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.872 87.5 90.5 -49.2 -48.3 -0.3 -88.8 -67.2 128 183 A A > - 0 0 37 1,-0.2 3,-1.3 2,-0.1 -2,-0.2 -0.351 62.9-156.6 -59.5 121.2 0.4 -91.1 -64.3 129 184 A K T 3 S+ 0 0 181 1,-0.2 -1,-0.2 -2,-0.2 3,-0.0 0.465 87.8 81.1 -74.9 1.3 -2.6 -91.3 -62.0 130 185 A D T 3 S+ 0 0 68 350,-0.1 350,-2.0 349,-0.0 2,-0.3 0.711 98.2 17.9 -77.7 -29.6 0.1 -92.2 -59.5 131 186 A R < - 0 0 95 -3,-1.3 2,-0.3 347,-0.2 -5,-0.3 -0.852 58.7-134.3-140.5 177.2 1.2 -88.6 -58.8 132 187 A R E - J 0 477C 131 345,-1.8 345,-2.1 -2,-0.3 2,-0.5 -0.953 24.3-133.4-130.8 146.6 0.6 -84.9 -58.8 133 188 A A E -IJ 124 476C 3 -9,-1.1 -9,-2.7 -2,-0.3 2,-0.3 -0.916 23.3-179.2-111.5 124.5 3.1 -82.3 -60.0 134 189 A L E -IJ 123 475C 49 341,-2.9 341,-3.5 -2,-0.5 2,-0.5 -0.897 12.8-158.2-118.3 147.2 3.7 -79.1 -58.0 135 190 A V E -IJ 122 474C 15 -13,-2.7 -13,-1.8 -2,-0.3 2,-0.3 -0.979 12.3-172.0-128.0 119.1 6.0 -76.2 -58.8 136 191 A L E - J 0 473C 74 337,-2.6 337,-2.7 -2,-0.5 2,-0.5 -0.751 13.0-146.3-105.7 154.3 7.2 -74.0 -55.9 137 192 A K E + J 0 472C 54 -2,-0.3 335,-0.2 335,-0.2 -16,-0.1 -0.989 22.6 177.2-121.9 129.0 9.1 -70.8 -56.2 138 193 A Q E - J 0 471C 81 333,-2.3 333,-2.3 -2,-0.5 29,-0.1 -0.956 34.8 -92.0-133.4 152.1 11.6 -70.0 -53.5 139 194 A P E - J 0 470C 31 0, 0.0 331,-0.2 0, 0.0 3,-0.1 -0.321 26.6-135.6 -63.1 141.2 14.2 -67.1 -52.9 140 195 A I - 0 0 19 329,-2.0 2,-0.4 1,-0.2 330,-0.1 0.876 42.5-124.8 -64.5 -41.2 17.7 -67.6 -54.1 141 196 A G + 0 0 1 328,-0.3 28,-1.3 22,-0.1 2,-0.4 -0.994 65.8 15.7 135.2-130.6 19.4 -66.3 -51.0 142 197 A V E -cd 169 222A 1 79,-0.5 81,-2.4 -2,-0.4 82,-1.7 -0.661 63.2-162.3 -86.5 135.3 21.9 -63.5 -50.7 143 198 A A E -cd 170 224A 0 26,-2.1 28,-2.1 -2,-0.4 2,-0.6 -0.960 14.0-141.2-121.9 133.0 22.4 -61.2 -53.6 144 199 A A E -cd 171 225A 0 80,-3.2 82,-3.3 -2,-0.4 2,-0.5 -0.804 21.2-162.7 -90.2 124.0 25.3 -58.9 -54.3 145 200 A V E -cd 172 226A 0 26,-2.7 28,-3.4 -2,-0.6 2,-0.5 -0.947 10.1-179.8-114.0 121.4 24.0 -55.6 -55.7 146 201 A I E -cd 173 227A 8 80,-2.8 82,-1.9 -2,-0.5 26,-0.1 -0.975 9.0-176.2-126.1 118.8 26.4 -53.3 -57.5 147 202 A T - 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