==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT 17-JUN-97 1WOD . COMPND 2 MOLECULE: MODA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.HU,S.RECH,R.P.GUNSALUS,D.C.REES . 231 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10302.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 12.6 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 . 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 . 14 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.6 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 1 1 1 0 0 3 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 PARALLEL BRIDGES PER LADDER . 0 1 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A G 0 0 91 0, 0.0 28,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-146.3 58.3 21.5 26.5 2 4 A K E -a 29 0A 128 26,-0.2 2,-0.4 28,-0.0 28,-0.2 -0.988 360.0-149.5-137.9 137.2 54.8 22.4 27.7 3 5 A I E -a 30 0A 0 26,-2.8 28,-3.2 -2,-0.3 2,-0.5 -0.916 6.2-153.9-110.6 136.1 52.8 25.7 27.1 4 6 A T E -a 31 0A 40 -2,-0.4 47,-3.0 26,-0.2 48,-1.5 -0.958 11.7-169.6-112.2 119.9 50.2 27.0 29.6 5 7 A V E -ab 32 52A 0 26,-2.7 28,-2.5 -2,-0.5 2,-0.6 -0.927 11.9-158.3-112.0 131.3 47.4 29.2 28.2 6 8 A F E +ab 33 53A 15 46,-2.5 48,-2.2 -2,-0.4 2,-0.4 -0.965 28.6 175.7-106.5 115.1 45.0 31.2 30.4 7 9 A A E -ab 34 54A 0 26,-2.7 28,-1.1 -2,-0.6 48,-0.2 -0.961 36.6 -96.7-130.2 145.4 42.0 31.8 28.2 8 10 A A E > -a 35 0A 1 46,-1.9 3,-2.5 -2,-0.4 28,-0.2 -0.177 42.1-114.0 -49.6 142.7 38.5 33.4 28.6 9 11 A A G > S+ 0 0 5 26,-1.6 3,-2.1 1,-0.3 -1,-0.1 0.825 113.7 67.4 -54.2 -34.7 35.9 30.8 29.3 10 12 A S G 3 S+ 0 0 4 1,-0.3 -1,-0.3 25,-0.2 4,-0.3 0.679 94.3 60.2 -61.6 -14.5 34.2 31.6 25.9 11 13 A L G <> S+ 0 0 1 -3,-2.5 4,-2.9 1,-0.2 5,-0.4 0.420 71.9 111.8 -92.9 2.5 37.3 30.1 24.2 12 14 A T H <> S+ 0 0 28 -3,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.856 81.3 33.9 -42.0 -57.4 37.0 26.7 25.7 13 15 A N H > S+ 0 0 40 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.936 119.6 48.3 -72.0 -47.2 36.1 24.7 22.6 14 16 A A H > S+ 0 0 1 -4,-0.3 4,-2.6 1,-0.2 5,-0.2 0.954 113.1 48.7 -59.4 -47.9 38.1 26.5 20.1 15 17 A M H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.860 108.7 52.9 -62.6 -37.6 41.2 26.5 22.3 16 18 A Q H X S+ 0 0 95 -4,-1.6 4,-1.9 -5,-0.4 -1,-0.2 0.929 111.5 46.0 -64.2 -42.2 40.9 22.8 22.9 17 19 A D H X S+ 0 0 49 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.925 112.9 50.1 -65.6 -42.9 40.8 22.0 19.2 18 20 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.934 109.8 50.8 -61.0 -43.8 43.7 24.3 18.5 19 21 A A H X S+ 0 0 13 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.880 110.3 50.0 -61.9 -39.4 45.8 22.7 21.2 20 22 A T H X S+ 0 0 73 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.945 112.3 46.6 -64.4 -46.2 45.1 19.2 19.8 21 23 A Q H X S+ 0 0 65 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.892 111.2 51.9 -62.8 -43.8 46.0 20.3 16.3 22 24 A F H X>S+ 0 0 4 -4,-2.7 4,-3.1 1,-0.2 5,-0.6 0.860 108.0 51.5 -62.5 -40.2 49.2 22.0 17.5 23 25 A K H X5S+ 0 0 89 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.923 112.3 47.4 -63.3 -43.0 50.3 18.8 19.3 24 26 A K H <5S+ 0 0 161 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.979 120.7 36.6 -60.1 -56.0 49.7 16.9 16.1 25 27 A E H <5S+ 0 0 79 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.856 134.7 16.5 -67.8 -44.2 51.6 19.3 13.9 26 28 A K H <5S- 0 0 127 -4,-3.1 -3,-0.2 -5,-0.2 -1,-0.2 0.487 91.2-123.9-113.3 -6.4 54.5 20.4 16.2 27 29 A G << + 0 0 50 -4,-1.6 2,-0.4 -5,-0.6 -4,-0.2 0.483 64.7 130.1 79.4 3.6 54.7 17.9 19.0 28 30 A V - 0 0 26 -6,-0.6 2,-0.3 178,-0.1 -1,-0.2 -0.743 56.8-124.0 -98.7 140.0 54.3 20.4 21.9 29 31 A D E -a 2 0A 58 -28,-1.2 -26,-2.8 -2,-0.4 2,-0.5 -0.611 21.7-164.1 -79.5 130.4 51.8 20.0 24.8 30 32 A V E -a 3 0A 21 -2,-0.3 2,-0.5 -28,-0.2 -26,-0.2 -0.965 2.4-168.6-120.5 116.5 49.4 22.9 25.3 31 33 A V E -a 4 0A 66 -28,-3.2 -26,-2.7 -2,-0.5 2,-0.4 -0.915 9.2-162.7-105.2 123.2 47.6 23.0 28.6 32 34 A S E -a 5 0A 31 -2,-0.5 2,-0.5 -28,-0.2 -26,-0.2 -0.834 12.0-161.0-110.7 145.7 44.7 25.5 28.9 33 35 A S E -a 6 0A 45 -28,-2.5 -26,-2.7 -2,-0.4 2,-0.4 -0.990 15.3-160.9-122.6 125.6 43.0 26.9 31.9 34 36 A F E +a 7 0A 51 -2,-0.5 2,-0.3 -28,-0.2 -26,-0.2 -0.936 30.5 116.4-113.0 137.2 39.5 28.5 31.3 35 37 A A E S-a 8 0A 17 -28,-1.1 -26,-1.6 -2,-0.4 -25,-0.2 -0.936 70.4 -44.2-173.5-178.0 37.6 30.9 33.5 36 38 A S > - 0 0 5 112,-0.3 4,-2.1 -2,-0.3 5,-0.2 -0.389 55.1-121.7 -60.8 145.0 36.3 34.5 33.6 37 39 A S H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.826 113.0 57.4 -59.5 -30.9 39.0 36.8 32.1 38 40 A S H > S+ 0 0 0 82,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.935 106.1 48.0 -66.2 -45.5 38.9 38.8 35.4 39 41 A T H > S+ 0 0 48 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.919 112.9 48.4 -60.7 -44.5 39.8 35.7 37.4 40 42 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.903 108.8 52.4 -65.9 -41.8 42.6 34.8 35.1 41 43 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.910 110.5 48.4 -62.7 -39.6 44.1 38.3 35.1 42 44 A R H X S+ 0 0 105 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.852 109.8 52.4 -69.5 -32.5 44.2 38.3 38.9 43 45 A Q H X>S+ 0 0 76 -4,-1.8 5,-2.7 2,-0.2 4,-1.0 0.907 109.7 49.2 -67.9 -39.3 45.8 34.9 38.9 44 46 A I H ><5S+ 0 0 9 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.923 109.9 51.5 -65.8 -41.5 48.5 36.2 36.6 45 47 A E H 3<5S+ 0 0 82 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.888 107.1 53.9 -60.6 -42.1 49.0 39.3 38.8 46 48 A A H 3<5S- 0 0 92 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.722 129.2 -93.7 -67.3 -22.4 49.5 37.0 41.8 47 49 A G T <<5 + 0 0 59 -4,-1.0 -3,-0.2 -3,-0.6 -2,-0.1 0.551 64.5 161.0 119.8 10.5 52.2 35.0 40.1 48 50 A A < - 0 0 28 -5,-2.7 2,-1.8 -6,-0.1 -1,-0.2 -0.423 47.7-117.2 -61.8 134.0 50.4 32.1 38.5 49 51 A P + 0 0 97 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.425 53.5 152.9 -78.5 73.9 52.7 30.7 35.8 50 52 A A - 0 0 0 -2,-1.8 -45,-0.2 1,-0.1 3,-0.1 -0.676 32.3-160.3 -96.3 151.7 50.8 31.2 32.5 51 53 A D S S+ 0 0 17 -47,-3.0 148,-2.6 1,-0.3 2,-0.3 0.789 77.3 21.4 -96.0 -39.5 52.7 31.7 29.2 52 54 A L E -bC 5 198A 0 -48,-1.5 -46,-2.5 146,-0.3 2,-0.4 -0.941 63.5-160.6-128.3 153.6 49.8 33.3 27.2 53 55 A F E -bC 6 197A 0 144,-2.3 144,-1.7 -2,-0.3 2,-0.5 -0.999 4.2-173.3-135.4 128.7 46.7 35.2 28.2 54 56 A I E -bC 7 196A 1 -48,-2.2 -46,-1.9 -2,-0.4 2,-0.3 -0.982 13.4-163.8-125.8 116.5 43.7 35.7 26.0 55 57 A S - 0 0 0 140,-2.1 -19,-0.0 -2,-0.5 -2,-0.0 -0.689 25.7-137.2-100.8 152.0 41.0 38.0 27.4 56 58 A A S S+ 0 0 2 -2,-0.3 137,-0.3 138,-0.2 2,-0.3 0.356 91.7 27.1 -86.3 0.9 37.4 38.4 26.3 57 59 A D S > S- 0 0 8 138,-0.1 4,-0.6 135,-0.1 -2,-0.1 -0.973 76.8-119.8-153.2 165.5 37.7 42.2 26.7 58 60 A Q H >> S+ 0 0 41 -2,-0.3 4,-2.9 1,-0.2 3,-0.5 0.854 103.4 71.2 -75.2 -35.6 40.4 44.9 26.6 59 61 A K H 3> S+ 0 0 115 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.875 99.2 42.7 -47.4 -53.3 39.7 45.9 30.2 60 62 A W H 3> S+ 0 0 17 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.779 113.6 52.2 -73.2 -20.6 41.2 42.9 31.8 61 63 A M H S+ 0 0 0 -4,-1.6 5,-2.2 1,-0.2 6,-0.4 0.862 110.9 56.7 -66.1 -34.4 47.4 42.9 33.7 65 67 A V H ><5S+ 0 0 34 -4,-2.5 3,-1.8 1,-0.2 5,-0.3 0.930 104.9 51.4 -63.0 -43.6 49.5 45.4 31.6 66 68 A D H 3<5S+ 0 0 126 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.751 104.6 57.0 -64.6 -27.5 49.3 47.9 34.5 67 69 A K T 3<5S- 0 0 99 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.329 116.1-117.7 -85.1 7.4 50.5 45.3 36.9 68 70 A K T < 5S+ 0 0 179 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.741 80.8 123.2 63.2 30.6 53.6 44.8 34.7 69 71 A A < + 0 0 14 -5,-2.2 131,-2.5 130,-0.1 2,-0.4 0.465 53.0 75.2-101.2 1.3 52.6 41.2 34.1 70 72 A I E S-D 199 0A 6 -6,-0.4 2,-1.6 129,-0.3 129,-0.2 -0.883 76.0-129.8-121.4 141.1 52.4 41.4 30.2 71 73 A D E > -D 198 0A 38 127,-3.0 3,-1.9 -2,-0.4 127,-0.5 -0.723 34.5-163.1 -81.8 93.8 55.1 41.5 27.5 72 74 A T E > S+ 0 0 88 -2,-1.6 3,-1.7 1,-0.3 -1,-0.2 0.771 77.2 67.0 -56.7 -33.0 53.4 44.5 25.9 73 75 A A E 3 S+ 0 0 94 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.765 101.7 53.4 -61.4 -19.6 55.1 44.4 22.5 74 76 A T E < S+ 0 0 9 -3,-1.9 -1,-0.3 124,-0.2 2,-0.2 0.561 79.1 116.6 -90.5 -10.4 53.2 41.2 22.0 75 77 A R E < + 0 0 67 -3,-1.7 2,-0.3 -4,-0.3 122,-0.2 -0.430 36.1 157.2 -65.0 128.3 49.7 42.5 22.8 76 78 A Q E -D 196 0A 79 120,-2.1 120,-2.5 -2,-0.2 2,-0.5 -0.995 46.6-112.8-152.5 140.3 47.4 42.3 19.8 77 79 A T E +D 195 0A 45 -2,-0.3 3,-0.1 118,-0.2 -19,-0.0 -0.690 40.2 172.0 -75.1 123.9 43.5 42.2 19.3 78 80 A L E + 0 0 9 116,-3.2 153,-2.0 -2,-0.5 2,-0.3 0.842 48.3 19.1-103.7 -44.1 42.9 38.7 17.9 79 81 A L E -DE 194 230A 1 115,-1.1 115,-2.4 151,-0.2 2,-0.3 -0.847 50.6-155.6-130.3 166.4 39.1 38.0 17.7 80 82 A G E +DE 193 229A 0 149,-2.3 149,-1.8 -2,-0.3 2,-0.3 -0.787 16.6 178.6-129.2 172.1 35.8 39.7 17.7 81 83 A N E -D 192 0A 3 111,-1.0 111,-0.6 -2,-0.3 2,-0.3 -0.962 22.6-116.2-164.7 172.4 32.4 38.3 18.7 82 84 A S - 0 0 40 -2,-0.3 87,-2.4 145,-0.2 2,-0.5 -0.807 20.8-124.2-118.4 161.1 28.7 39.3 19.0 83 85 A L E +F 168 0B 1 -2,-0.3 101,-2.7 101,-0.3 2,-0.2 -0.932 40.4 169.0-108.1 121.8 26.5 39.5 22.1 84 86 A V E -FG 167 183B 5 83,-2.7 83,-1.9 -2,-0.5 2,-0.5 -0.793 34.9-122.0-129.6 170.0 23.2 37.4 21.9 85 87 A V E -FG 166 182B 0 97,-2.3 96,-2.8 -2,-0.2 97,-1.1 -0.965 31.3-168.6-113.4 128.5 20.3 36.1 23.9 86 88 A V E -FG 165 180B 0 79,-2.8 79,-1.6 -2,-0.5 94,-0.2 -0.768 8.2-169.7-115.4 161.2 19.8 32.4 24.0 87 89 A A E - G 0 179B 0 92,-1.8 92,-2.0 -2,-0.3 77,-0.2 -0.906 43.8 -73.3-140.8 162.3 16.9 30.2 25.2 88 90 A P E > - G 0 178B 10 0, 0.0 3,-2.0 0, 0.0 90,-0.3 -0.297 44.0-116.9 -60.2 149.0 16.7 26.4 25.7 89 91 A K T 3 S+ 0 0 133 88,-2.1 89,-0.1 1,-0.3 88,-0.1 0.917 116.5 45.7 -48.4 -49.4 16.6 24.4 22.5 90 92 A A T 3 S+ 0 0 97 87,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.167 87.4 117.3 -82.5 11.0 13.1 23.1 23.5 91 93 A S < - 0 0 34 -3,-2.0 -4,-0.1 1,-0.1 69,-0.0 -0.427 63.8-140.6 -76.6 160.1 11.7 26.5 24.5 92 94 A V + 0 0 136 -2,-0.1 2,-0.1 2,-0.1 -1,-0.1 0.167 58.7 134.7-102.8 11.3 8.8 27.9 22.6 93 95 A Q - 0 0 43 -5,-0.2 2,-0.2 70,-0.1 -6,-0.1 -0.417 45.2-148.9 -62.7 130.7 10.4 31.3 22.8 94 96 A K - 0 0 159 1,-0.1 87,-0.1 -2,-0.1 -2,-0.1 -0.629 27.5 -79.4-102.4 163.9 10.3 33.0 19.4 95 97 A D - 0 0 131 -2,-0.2 2,-0.3 85,-0.1 87,-0.2 -0.194 52.7-178.4 -57.0 152.3 12.8 35.4 17.9 96 98 A F - 0 0 36 85,-2.3 87,-0.3 -3,-0.1 2,-0.3 -0.983 24.9-115.1-152.7 160.5 12.6 39.0 19.0 97 99 A T - 0 0 103 -2,-0.3 2,-0.6 85,-0.1 87,-0.1 -0.685 21.0-138.2 -98.2 150.8 14.2 42.4 18.4 98 100 A I + 0 0 11 85,-0.3 2,-0.2 -2,-0.3 84,-0.0 -0.944 45.7 127.4-113.4 109.0 16.1 44.3 21.1 99 101 A D S > S- 0 0 71 -2,-0.6 3,-0.9 35,-0.1 35,-0.0 -0.837 75.2 -71.3-145.4-175.3 15.4 48.1 21.2 100 102 A S T 3 S+ 0 0 105 1,-0.3 2,-0.3 -2,-0.2 -2,-0.0 0.781 129.0 47.9 -54.8 -26.8 14.4 50.9 23.6 101 103 A K T 3 S+ 0 0 171 2,-0.1 2,-0.5 3,-0.0 -1,-0.3 -0.466 73.7 133.2-116.6 59.5 11.0 49.3 23.8 102 104 A T < - 0 0 22 -3,-0.9 2,-1.4 -2,-0.3 3,-0.2 -0.913 53.6-134.9-104.0 132.7 11.5 45.6 24.3 103 105 A N > + 0 0 87 -2,-0.5 4,-1.4 1,-0.2 3,-0.4 -0.630 31.9 169.7 -93.3 84.2 9.3 44.2 27.1 104 106 A W H > + 0 0 6 -2,-1.4 4,-2.2 1,-0.2 5,-0.2 0.868 69.9 64.0 -59.3 -38.8 11.8 42.1 29.1 105 107 A T H > S+ 0 0 63 1,-0.2 4,-2.1 2,-0.2 5,-0.4 0.887 106.1 41.9 -55.5 -45.6 9.4 41.6 31.9 106 108 A S H 4 S+ 0 0 65 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.797 111.9 56.4 -72.2 -30.7 6.9 39.6 29.8 107 109 A L H < S+ 0 0 34 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.854 111.8 42.8 -65.7 -40.4 9.7 37.7 28.1 108 110 A L H >< S- 0 0 3 -4,-2.2 3,-0.8 3,-0.1 -2,-0.2 0.898 84.7-165.5 -73.8 -48.3 11.1 36.5 31.4 109 111 A N T 3< S- 0 0 139 -4,-2.1 -3,-0.1 1,-0.3 3,-0.1 0.945 75.4 -40.3 63.7 53.8 7.7 35.6 33.0 110 112 A G T 3 S+ 0 0 79 -5,-0.4 -1,-0.3 1,-0.3 2,-0.2 0.527 119.2 113.4 74.6 -3.0 8.9 35.3 36.7 111 113 A G < - 0 0 22 -3,-0.8 -1,-0.3 1,-0.1 2,-0.2 -0.504 67.5-106.2 -94.1 171.6 12.0 33.5 35.5 112 114 A R - 0 0 133 49,-0.3 52,-0.9 -2,-0.2 2,-0.7 -0.677 16.7-122.4-102.5 156.3 15.6 34.9 35.7 113 115 A L E -hi 144 164B 0 30,-2.5 32,-2.4 -2,-0.2 2,-0.3 -0.860 28.2-139.9 -97.4 109.9 18.0 36.4 33.1 114 116 A A E +hi 145 165B 0 50,-2.6 52,-2.6 -2,-0.7 2,-0.3 -0.538 36.6 155.5 -71.8 128.8 21.3 34.3 33.1 115 117 A V E -h 146 0B 5 30,-1.8 32,-1.2 -2,-0.3 2,-0.2 -0.972 49.7 -97.0-149.1 159.3 24.4 36.5 32.8 116 118 A G E S-h 147 0B 1 50,-0.3 32,-0.2 -2,-0.3 34,-0.1 -0.563 70.0 -77.3 -73.8 146.4 28.1 36.5 33.6 117 119 A D >> - 0 0 37 30,-2.7 4,-2.5 -2,-0.2 3,-1.9 -0.295 43.0-149.6 -47.0 111.0 28.5 38.4 36.9 118 120 A P T 34 S+ 0 0 18 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.632 89.8 73.9 -63.6 -9.8 28.2 42.0 35.6 119 121 A E T 34 S- 0 0 142 1,-0.1 -2,-0.1 6,-0.0 -3,-0.0 0.765 128.1 -21.2 -71.9 -30.3 30.6 42.9 38.5 120 122 A H T <4 S+ 0 0 52 -3,-1.9 -82,-0.3 1,-0.1 -1,-0.1 0.532 101.0 104.8-155.4 -19.7 33.6 41.4 36.7 121 123 A V >X - 0 0 4 -4,-2.5 4,-2.1 26,-0.2 3,-0.8 -0.616 65.5-134.2 -74.6 126.3 32.9 38.8 34.0 122 124 A P H 3> S+ 0 0 2 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.900 105.2 55.3 -46.9 -45.0 33.5 40.4 30.5 123 125 A A H 3> S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.875 111.2 45.2 -57.9 -38.6 30.2 38.9 29.2 124 126 A G H <> S+ 0 0 0 -3,-0.8 4,-2.8 -7,-0.3 -1,-0.2 0.840 110.5 53.1 -73.3 -35.1 28.3 40.5 32.0 125 127 A I H X S+ 0 0 39 -4,-2.1 4,-2.2 -8,-0.2 -2,-0.2 0.911 111.2 45.6 -66.8 -43.4 30.1 43.9 31.7 126 128 A Y H X S+ 0 0 9 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.915 114.9 50.1 -64.2 -44.5 29.2 44.1 27.9 127 129 A A H X S+ 0 0 2 -4,-1.7 4,-2.9 -5,-0.3 5,-0.2 0.926 110.6 47.0 -60.7 -47.0 25.6 43.0 28.8 128 130 A K H X S+ 0 0 55 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.949 111.2 52.3 -61.2 -47.9 25.1 45.6 31.6 129 131 A E H X S+ 0 0 33 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.908 112.6 45.5 -54.7 -44.8 26.5 48.3 29.4 130 132 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.937 112.8 49.0 -65.9 -47.7 24.0 47.4 26.7 131 133 A L H <>S+ 0 0 1 -4,-2.9 6,-1.6 1,-0.2 5,-1.1 0.763 112.4 49.6 -64.4 -27.7 21.0 47.1 29.0 132 134 A Q H ><5S+ 0 0 104 -4,-2.2 3,-1.2 -5,-0.2 -1,-0.2 0.886 109.7 50.3 -76.3 -40.1 21.8 50.4 30.5 133 135 A K H 3<5S+ 0 0 129 -4,-2.0 -2,-0.2 55,-0.3 -3,-0.1 0.898 113.2 46.8 -62.8 -42.2 22.1 52.1 27.1 134 136 A L T 3<5S- 0 0 26 -4,-2.3 -1,-0.3 -5,-0.1 -32,-0.2 0.351 113.6-120.9 -81.0 3.2 18.7 50.6 26.2 135 137 A G T < 5S+ 0 0 57 -3,-1.2 3,-0.3 -5,-0.1 4,-0.3 0.443 84.3 110.9 71.7 3.5 17.2 51.7 29.5 136 138 A A >< + 0 0 11 -5,-1.1 4,-2.1 -6,-0.2 3,-0.3 0.509 47.2 91.8 -86.8 -4.6 16.3 48.2 30.6 137 139 A W H > S+ 0 0 39 -6,-1.6 4,-3.0 1,-0.2 -1,-0.2 0.919 81.0 52.7 -58.5 -49.8 18.8 47.9 33.5 138 140 A D H 4 S+ 0 0 138 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.857 114.6 45.3 -54.1 -35.7 16.7 49.2 36.4 139 141 A T H 4 S+ 0 0 68 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.2 0.845 118.4 41.1 -74.4 -42.4 14.0 46.7 35.4 140 142 A L H >< S+ 0 0 0 -4,-2.1 3,-2.4 1,-0.2 4,-0.4 0.785 90.8 81.3 -81.9 -31.5 16.4 43.7 34.9 141 143 A S G >< S+ 0 0 49 -4,-3.0 3,-0.9 1,-0.3 -1,-0.2 0.836 94.2 48.8 -47.6 -40.0 18.9 44.0 37.8 142 144 A P G 3 S+ 0 0 93 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.618 111.4 53.9 -76.1 -9.0 16.5 42.4 40.4 143 145 A K G < S+ 0 0 58 -3,-2.4 -30,-2.5 -4,-0.1 -2,-0.2 0.270 81.8 120.9-106.5 10.1 15.9 39.5 37.9 144 146 A L E < -h 113 0B 19 -3,-0.9 -30,-0.2 -4,-0.4 -3,-0.0 -0.320 46.8-159.6 -78.2 155.5 19.4 38.4 37.1 145 147 A A E -h 114 0B 17 -32,-2.4 -30,-1.8 -33,-0.1 11,-0.1 -0.817 26.1-159.8-128.8 81.4 21.0 35.0 37.6 146 148 A P E -h 115 0B 79 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 -0.316 6.9-163.9 -65.9 152.0 24.7 35.9 37.7 147 149 A A E -h 116 0B 15 -32,-1.2 -30,-2.7 -26,-0.0 -26,-0.2 -0.925 33.4-107.7-134.6 162.1 27.4 33.2 37.0 148 150 A E S S- 0 0 163 -2,-0.3 -112,-0.3 -32,-0.2 2,-0.3 0.679 98.4 -12.7 -58.0 -33.9 31.2 32.8 37.5 149 151 A D S >> S- 0 0 30 -34,-0.1 4,-1.6 -114,-0.1 3,-0.7 -0.946 84.6 -82.3-157.6 178.0 31.9 33.1 33.8 150 152 A V H 3> S+ 0 0 3 -2,-0.3 4,-2.3 1,-0.3 5,-0.1 0.814 125.9 54.4 -62.4 -30.4 30.0 33.1 30.4 151 153 A R H 3> S+ 0 0 50 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.798 103.8 56.0 -73.6 -25.8 29.9 29.3 30.2 152 154 A G H <> S+ 0 0 24 -3,-0.7 4,-1.2 2,-0.2 -1,-0.2 0.890 109.0 46.9 -70.1 -39.5 28.3 29.3 33.7 153 155 A A H X S+ 0 0 0 -4,-1.6 4,-1.3 1,-0.2 3,-0.4 0.927 110.6 52.4 -67.0 -42.3 25.5 31.5 32.3 154 156 A L H X S+ 0 0 6 -4,-2.3 4,-2.4 1,-0.2 3,-0.4 0.915 105.2 55.6 -57.4 -44.9 25.2 29.3 29.2 155 157 A A H X S+ 0 0 16 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.826 100.7 58.4 -58.6 -35.3 24.8 26.2 31.5 156 158 A L H <>S+ 0 0 28 -4,-1.2 5,-2.9 -3,-0.4 6,-0.9 0.903 110.2 42.6 -63.7 -39.9 21.9 27.8 33.3 157 159 A V H ><5S+ 0 0 0 -4,-1.3 3,-1.5 -3,-0.4 -2,-0.2 0.907 113.7 51.8 -72.4 -40.3 19.9 28.2 30.0 158 160 A E H 3<5S+ 0 0 79 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.854 110.6 47.9 -61.9 -41.3 20.9 24.7 28.8 159 161 A R T 3<5S- 0 0 148 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.277 114.8-120.1 -82.6 9.1 19.8 23.1 32.1 160 162 A N T < 5S+ 0 0 118 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.807 78.4 127.0 55.3 32.1 16.5 25.1 31.7 161 163 A E S > -F 83 0B 2 -85,-0.2 4,-1.1 -2,-0.2 3,-1.0 -0.637 38.9-116.1 -88.6 156.1 28.4 35.5 23.0 169 171 A G H >> S+ 0 0 11 -87,-2.4 4,-1.4 1,-0.3 3,-0.9 0.930 117.3 59.2 -55.0 -42.0 27.4 34.4 19.6 170 172 A S H 3> S+ 0 0 2 -88,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.803 96.8 60.4 -57.2 -31.7 30.2 31.9 19.7 171 173 A D H <> S+ 0 0 0 -3,-1.0 4,-1.4 1,-0.2 -1,-0.2 0.878 101.3 53.6 -65.8 -35.4 28.7 30.2 22.8 172 174 A A H << S+ 0 0 14 -4,-1.1 6,-0.3 -3,-0.9 -1,-0.2 0.892 106.4 52.6 -65.4 -40.3 25.5 29.4 20.9 173 175 A V H < S+ 0 0 86 -4,-1.4 -1,-0.2 53,-0.2 -2,-0.2 0.901 112.5 44.9 -63.1 -39.7 27.6 27.7 18.1 174 176 A A H < S+ 0 0 30 -4,-1.7 2,-0.5 52,-0.3 -1,-0.2 0.712 99.6 86.6 -78.4 -20.6 29.4 25.5 20.7 175 177 A S < - 0 0 12 -4,-1.4 3,-0.4 -5,-0.1 -4,-0.0 -0.704 51.8-171.5 -89.6 130.3 26.2 24.6 22.6 176 178 A K S S+ 0 0 197 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.1 0.597 84.1 56.5 -90.3 -9.9 24.1 21.7 21.6 177 179 A G S S+ 0 0 25 -88,-0.1 -88,-2.1 -89,-0.0 2,-0.3 0.290 98.1 52.2-109.7 12.3 21.3 22.8 24.0 178 180 A V E -G 88 0B 4 -3,-0.4 2,-0.3 -90,-0.3 -89,-0.1 -0.850 57.2-146.7-138.4 175.4 20.3 26.3 23.2 179 181 A K E -G 87 0B 64 -92,-2.0 -92,-1.8 -2,-0.3 2,-0.4 -0.989 27.0-110.6-144.6 144.9 19.2 28.5 20.3 180 182 A V E +G 86 0B 61 -2,-0.3 -94,-0.2 -94,-0.2 3,-0.1 -0.653 34.8 169.7 -78.0 128.0 19.7 32.2 19.5 181 183 A V E + 0 0 2 -96,-2.8 -85,-2.3 -2,-0.4 2,-0.3 0.455 64.8 7.4-117.2 -4.5 16.5 34.3 19.9 182 184 A A E -G 85 0B 7 -97,-1.1 -97,-2.3 -87,-0.2 2,-0.4 -0.961 58.7-144.7-168.4 159.2 17.9 37.8 19.6 183 185 A T E -G 84 0B 81 -87,-0.3 -85,-0.3 -2,-0.3 -99,-0.2 -1.000 26.7-118.4-135.8 129.1 21.1 39.7 18.9 184 186 A F - 0 0 6 -101,-2.7 -101,-0.3 -2,-0.4 2,-0.1 -0.419 37.5-104.8 -67.7 140.4 22.2 42.9 20.6 185 187 A P > - 0 0 38 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.458 28.2-122.0 -64.5 140.3 22.6 45.8 18.2 186 188 A E G > S+ 0 0 97 1,-0.3 3,-0.9 2,-0.1 -2,-0.1 0.836 108.2 56.7 -53.8 -33.8 26.3 46.5 17.6 187 189 A D G 3 S+ 0 0 145 1,-0.2 -1,-0.3 4,-0.0 4,-0.1 0.523 87.9 76.8 -80.0 -5.6 26.0 50.1 18.8 188 190 A S G < S+ 0 0 2 -3,-1.9 2,-0.3 2,-0.1 -55,-0.3 0.671 103.3 21.4 -78.0 -17.0 24.6 49.2 22.3 189 191 A H S < S- 0 0 12 -3,-0.9 3,-0.1 -4,-0.3 -63,-0.1 -0.958 93.9 -78.1-146.8 163.3 28.0 48.1 23.7 190 192 A K - 0 0 143 -2,-0.3 -60,-0.1 1,-0.1 -2,-0.1 -0.300 68.9 -87.2 -56.7 146.1 31.7 48.4 23.3 191 193 A K - 0 0 71 1,-0.1 2,-0.7 -4,-0.1 -1,-0.1 -0.307 45.8-115.0 -57.9 131.8 32.9 46.1 20.4 192 194 A V E + D 0 81A 0 -111,-0.6 -111,-1.0 -3,-0.1 2,-0.4 -0.717 48.9 173.1 -75.3 115.7 33.5 42.6 21.8 193 195 A E E - D 0 80A 51 -2,-0.7 -113,-0.2 -137,-0.3 -116,-0.0 -0.990 28.7-151.1-133.4 140.1 37.3 42.1 21.4 194 196 A Y E - D 0 79A 0 -115,-2.4 -116,-3.2 -2,-0.4 -115,-1.1 -0.889 14.4-166.0-110.2 100.9 39.7 39.5 22.5 195 197 A P E - D 0 77A 0 0, 0.0 -140,-2.1 0, 0.0 2,-0.3 -0.627 4.2-159.6 -85.3 147.3 43.4 40.6 23.0 196 198 A V E +CD 54 76A 1 -120,-2.5 -120,-2.1 -2,-0.2 2,-0.3 -0.925 16.6 165.5-121.8 146.4 46.2 38.0 23.3 197 199 A A E -C 53 0A 0 -144,-1.7 -144,-2.3 -2,-0.3 2,-0.3 -0.971 37.7-111.1-159.7 151.1 49.6 38.6 24.9 198 200 A V E -CD 52 71A 0 -127,-0.5 -127,-3.0 -2,-0.3 -146,-0.3 -0.680 42.6-112.8 -82.7 138.4 52.6 36.7 26.1 199 201 A V E > - D 0 70A 9 -148,-2.6 3,-2.5 -2,-0.3 -129,-0.3 -0.515 44.6 -86.9 -73.9 140.0 53.0 36.9 29.9 200 202 A E T 3 S+ 0 0 106 -131,-2.5 -1,-0.1 1,-0.3 -130,-0.0 -0.219 115.1 16.1 -49.9 126.9 56.0 38.8 31.1 201 203 A G T 3 S+ 0 0 69 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.398 106.4 88.1 88.9 -2.1 59.1 36.6 31.3 202 204 A H < + 0 0 45 -3,-2.5 2,-1.5 -151,-0.2 5,-0.2 0.184 48.5 116.7-113.7 17.3 57.5 33.8 29.2 203 205 A N + 0 0 68 -4,-0.1 2,-0.2 -5,-0.1 -1,-0.1 -0.642 39.7 133.8 -90.0 83.2 58.5 35.1 25.8 204 206 A N S > S- 0 0 77 -2,-1.5 4,-2.7 1,-0.0 5,-0.2 -0.723 71.8 -90.9-120.3 173.6 60.8 32.2 24.6 205 207 A A H > S+ 0 0 86 -2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.818 122.8 51.5 -57.7 -36.8 60.9 30.4 21.3 206 208 A T H > S+ 0 0 59 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.955 114.0 42.4 -66.2 -50.0 58.4 27.6 22.3 207 209 A V H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.901 113.1 54.0 -62.9 -39.8 55.8 30.1 23.5 208 210 A K H X S+ 0 0 75 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.870 103.0 57.7 -63.4 -36.5 56.4 32.4 20.4 209 211 A A H X S+ 0 0 49 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.926 111.1 41.8 -60.1 -45.0 55.8 29.4 18.1 210 212 A F H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.884 111.5 55.2 -69.9 -38.7 52.4 28.9 19.6 211 213 A Y H X S+ 0 0 10 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.920 110.5 45.9 -60.2 -44.2 51.6 32.6 19.6 212 214 A D H >< S+ 0 0 70 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.884 108.0 57.9 -67.1 -37.2 52.4 32.8 15.9 213 215 A Y H >< S+ 0 0 14 -4,-1.8 3,-1.9 1,-0.3 6,-0.6 0.884 98.1 60.4 -59.2 -40.0 50.3 29.6 15.3 214 216 A L H 3< S+ 0 0 4 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.767 107.1 45.7 -59.0 -29.1 47.2 31.4 16.8 215 217 A K T << S+ 0 0 89 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.333 100.2 97.9 -95.5 5.0 47.5 34.1 14.1 216 218 A G S <> S- 0 0 16 -3,-1.9 4,-2.0 -4,-0.2 5,-0.1 -0.281 88.2-100.2 -87.1 177.1 47.9 31.5 11.4 217 219 A P H > S+ 0 0 94 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.801 115.9 54.9 -67.1 -36.7 45.4 29.8 8.9 218 220 A Q H > S+ 0 0 73 2,-0.2 4,-1.3 1,-0.2 -4,-0.1 0.865 113.8 42.8 -65.9 -39.5 44.8 26.5 10.8 219 221 A A H > S+ 0 0 0 -6,-0.6 4,-2.7 2,-0.2 5,-0.2 0.908 110.8 54.8 -72.5 -42.2 43.9 28.4 13.9 220 222 A A H X S+ 0 0 26 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.859 105.1 55.1 -60.0 -35.2 41.8 30.9 11.9 221 223 A E H X S+ 0 0 119 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.939 110.8 44.2 -61.3 -48.6 39.8 28.0 10.4 222 224 A I H X S+ 0 0 2 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.908 113.1 50.5 -63.8 -43.0 39.0 26.7 13.9 223 225 A F H <>S+ 0 0 3 -4,-2.7 5,-2.0 1,-0.2 3,-0.5 0.927 111.3 48.5 -61.2 -45.7 38.1 30.1 15.3 224 226 A K H ><5S+ 0 0 142 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.899 107.5 55.2 -60.4 -44.5 35.7 30.8 12.4 225 227 A R H 3<5S+ 0 0 118 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.768 106.0 53.2 -62.0 -27.4 34.0 27.5 12.7 226 228 A Y T 3<5S- 0 0 41 -4,-1.2 -52,-0.3 -3,-0.5 -1,-0.3 0.308 124.3 -98.4 -93.4 9.0 33.3 28.3 16.4 227 229 A G T < 5S+ 0 0 28 -3,-1.7 -57,-0.2 1,-0.3 -145,-0.2 0.457 78.1 132.8 94.2 1.0 31.6 31.6 15.6 228 230 A F < - 0 0 8 -5,-2.0 2,-0.4 -58,-0.1 -1,-0.3 -0.569 53.2-130.0 -83.4 149.6 34.4 34.1 16.3 229 231 A T E -E 80 0A 69 -149,-1.8 -149,-2.3 -2,-0.2 2,-0.5 -0.802 23.2-127.0 -97.5 138.0 35.2 36.8 13.8 230 232 A I E E 79 0A 72 -2,-0.4 -151,-0.2 -151,-0.2 -152,-0.1 -0.820 360.0 360.0 -88.2 124.6 38.9 37.0 12.9 231 233 A K 0 0 129 -153,-2.0 -151,-0.0 -2,-0.5 -38,-0.0 -0.583 360.0 360.0 -82.4 360.0 40.3 40.5 13.5