==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-NOV-11 3UP4 . COMPND 2 MOLECULE: OTEMO; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR R.SHI,A.MATTE,M.CYGLER,P.LAU . 1061 5 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41925.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 734 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 1 0.1 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 . 88 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 273 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 11 0 2 0 1 2 2 1 4 2 0 3 1 0 2 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 4 6 6 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 . 12 2 6 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 ANTIPARALLEL BRIDGES PER LADDER . 6 0 2 2 0 0 0 2 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 K 0 0 114 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.8 6.1 25.1 -71.3 2 7 A S - 0 0 102 116,-0.0 2,-0.1 128,-0.0 128,-0.1 -0.907 360.0-125.4-112.0 126.3 3.7 22.9 -69.3 3 8 A P - 0 0 11 0, 0.0 128,-0.1 0, 0.0 129,-0.1 -0.440 17.2-135.3 -64.7 144.6 4.4 19.2 -68.5 4 9 A A S S+ 0 0 71 126,-0.2 2,-0.3 -2,-0.1 127,-0.2 0.915 82.6 42.8 -64.8 -46.4 1.6 16.9 -69.7 5 10 A L E -a 131 0A 35 125,-2.4 127,-1.7 1,-0.1 25,-0.2 -0.711 66.6-140.6-108.8 149.9 1.4 14.8 -66.5 6 11 A D E S- 0 0 32 23,-1.9 127,-2.5 1,-0.3 2,-0.3 0.941 89.0 -5.4 -68.0 -48.1 1.4 15.6 -62.8 7 12 A A E -ab 133 30A 1 22,-1.6 24,-1.6 125,-0.2 2,-0.4 -0.998 53.9-145.4-147.2 152.5 3.6 12.5 -62.2 8 13 A V E -ab 134 31A 0 125,-2.3 127,-3.0 -2,-0.3 2,-0.5 -0.949 18.6-157.5-109.5 137.6 5.1 9.5 -63.7 9 14 A V E -ab 135 32A 0 22,-2.3 24,-2.1 -2,-0.4 2,-0.8 -0.969 4.1-152.3-120.0 114.7 5.3 6.4 -61.6 10 15 A I E +ab 136 33A 16 125,-2.4 127,-2.4 -2,-0.5 24,-0.2 -0.769 60.4 35.5 -89.3 106.9 7.9 3.7 -62.5 11 16 A G - 0 0 8 22,-2.3 22,-0.1 -2,-0.8 23,-0.1 -0.204 52.2-143.6 128.4 144.9 6.9 0.2 -61.4 12 17 A A + 0 0 0 4,-0.1 28,-2.2 26,-0.1 29,-0.1 -0.048 61.4 116.4-128.3 28.9 3.8 -2.0 -61.0 13 18 A G S > S- 0 0 14 124,-0.5 4,-2.1 27,-0.2 5,-0.3 -0.134 92.7 -76.7 -76.4-171.0 4.8 -3.9 -57.9 14 19 A V H > S+ 0 0 16 26,-0.3 4,-1.2 1,-0.2 5,-0.2 0.874 135.4 47.6 -60.9 -34.9 2.7 -3.4 -54.8 15 20 A T H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.954 111.2 50.0 -69.7 -46.0 4.2 -0.0 -54.2 16 21 A G H > S+ 0 0 0 121,-0.4 4,-1.7 1,-0.2 -2,-0.2 0.878 109.5 47.6 -63.1 -43.6 3.9 1.3 -57.7 17 22 A I H X S+ 0 0 0 -4,-2.1 4,-3.5 2,-0.2 -1,-0.2 0.893 113.2 47.1 -72.6 -37.8 0.2 0.5 -58.3 18 23 A Y H X S+ 0 0 6 -4,-1.2 4,-3.0 -5,-0.3 5,-0.2 0.953 110.7 52.4 -65.6 -50.9 -1.0 1.9 -55.0 19 24 A Q H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.887 114.8 43.6 -44.8 -42.3 1.1 5.0 -55.6 20 25 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.910 111.3 52.5 -79.6 -44.4 -0.6 5.3 -58.9 21 26 A F H X S+ 0 0 34 -4,-3.5 4,-2.2 2,-0.2 -2,-0.2 0.951 111.4 47.3 -49.6 -57.1 -4.1 4.5 -57.6 22 27 A L H X S+ 0 0 10 -4,-3.0 4,-2.0 1,-0.2 5,-0.2 0.919 108.6 53.1 -53.6 -57.0 -3.9 7.2 -55.0 23 28 A I H <>S+ 0 0 4 -4,-2.0 5,-1.9 1,-0.2 -1,-0.2 0.880 112.6 44.4 -45.1 -51.8 -2.6 10.0 -57.3 24 29 A N H ><5S+ 0 0 60 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.867 107.8 58.7 -65.9 -38.7 -5.4 9.4 -59.7 25 30 A Q H 3<5S+ 0 0 130 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.893 100.2 57.2 -55.3 -41.4 -8.0 9.3 -56.9 26 31 A A T 3<5S- 0 0 51 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.386 124.9-109.1 -74.5 4.6 -6.8 12.8 -55.9 27 32 A G T < 5S+ 0 0 66 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.657 74.2 134.8 81.5 17.4 -7.8 13.8 -59.4 28 33 A M < - 0 0 17 -5,-1.9 2,-0.7 1,-0.0 -1,-0.2 -0.392 62.0 -99.3 -92.4 173.9 -4.3 14.3 -60.7 29 34 A K + 0 0 146 -2,-0.1 -23,-1.9 -25,-0.0 -22,-1.6 -0.830 49.7 171.7-103.3 108.2 -2.8 13.1 -64.1 30 35 A V E -b 7 0A 13 -2,-0.7 2,-0.4 -24,-0.2 -22,-0.2 -0.849 21.9-170.3-121.1 143.3 -0.7 10.0 -63.8 31 36 A L E -b 8 0A 25 -24,-1.6 -22,-2.3 -2,-0.3 2,-0.3 -0.984 11.6-156.8-131.1 130.3 1.0 7.5 -66.0 32 37 A G E -bc 9 101A 0 68,-2.3 70,-2.9 -2,-0.4 2,-0.4 -0.730 4.3-156.0 -96.4 148.5 2.6 4.3 -64.7 33 38 A I E -bc 10 102A 4 -24,-2.1 -22,-2.3 -2,-0.3 2,-0.4 -0.984 10.5-178.6-127.8 122.1 5.3 2.4 -66.6 34 39 A E - 0 0 13 68,-2.6 71,-2.0 -2,-0.4 72,-0.0 -0.985 20.1-156.2-119.1 131.0 6.0 -1.4 -66.2 35 40 A A S S+ 0 0 31 -2,-0.4 -1,-0.1 69,-0.3 71,-0.1 0.840 80.8 58.6 -65.9 -40.6 8.8 -3.2 -68.0 36 41 A G S S- 0 0 2 2,-0.2 68,-2.9 68,-0.1 69,-0.3 -0.009 102.1 -94.0 -78.7-167.7 7.0 -6.6 -67.7 37 42 A E S S- 0 0 133 66,-0.2 2,-0.3 67,-0.1 66,-0.1 0.682 93.8 -3.9 -85.3 -22.6 3.6 -7.5 -69.1 38 43 A D S S- 0 0 49 65,-0.1 3,-0.4 3,-0.1 -2,-0.2 -0.924 89.0 -60.6-162.5 172.3 1.4 -6.9 -66.1 39 44 A V S S+ 0 0 0 -2,-0.3 -26,-0.2 1,-0.2 50,-0.1 -0.255 79.9 89.8 -65.3 150.9 1.4 -5.9 -62.4 40 45 A G > - 0 0 0 -28,-2.2 3,-2.0 48,-0.1 -26,-0.3 0.067 47.6-168.3 157.3 -23.3 3.2 -7.9 -59.7 41 46 A G T >> S+ 0 0 12 -3,-0.4 4,-2.4 1,-0.3 3,-2.0 -0.241 84.9 8.9 47.3-129.8 6.7 -6.7 -59.3 42 47 A T H 3> S+ 0 0 66 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.848 137.4 49.7 -33.5 -50.2 8.5 -9.2 -57.1 43 48 A W H <4 S+ 0 0 24 -3,-2.0 -1,-0.3 2,-0.2 42,-0.3 0.643 112.7 47.1 -78.1 -14.5 5.5 -11.5 -57.4 44 49 A Y H <4 S+ 0 0 29 -3,-2.0 -2,-0.2 -4,-0.1 -1,-0.2 0.925 119.9 35.9 -84.2 -53.4 5.4 -11.2 -61.1 45 50 A W H < S+ 0 0 94 -4,-2.4 2,-1.2 1,-0.1 120,-0.3 0.754 102.1 72.6 -73.9 -33.9 9.1 -11.8 -61.8 46 51 A N < + 0 0 16 -4,-2.5 -1,-0.1 -5,-0.3 117,-0.1 -0.679 47.7 147.3 -95.5 88.6 10.1 -14.4 -59.2 47 52 A R + 0 0 51 -2,-1.2 -1,-0.2 115,-0.3 116,-0.1 0.206 25.4 132.6-107.6 14.9 8.5 -17.7 -60.3 48 53 A Y > - 0 0 20 114,-0.4 3,-1.6 1,-0.1 33,-0.2 -0.175 68.7 -80.2 -64.3 157.3 11.1 -20.1 -59.0 49 54 A P T 3 S+ 0 0 18 0, 0.0 147,-0.1 0, 0.0 -1,-0.1 -0.387 114.4 15.2 -61.9 134.8 10.2 -23.3 -57.0 50 55 A G T 3 S+ 0 0 19 1,-0.3 2,-0.4 -3,-0.1 -2,-0.1 0.515 79.8 161.1 78.9 8.7 9.4 -22.7 -53.3 51 56 A C < + 0 0 9 -3,-1.6 30,-2.5 -4,-0.0 2,-0.3 -0.512 18.6 155.6 -62.3 120.5 9.1 -18.9 -53.7 52 57 A R B -I 80 0B 58 -2,-0.4 28,-0.2 28,-0.3 27,-0.1 -0.978 43.2 -91.4-151.1 150.4 7.2 -17.9 -50.7 53 58 A L - 0 0 4 26,-2.1 4,-0.1 -2,-0.3 3,-0.0 -0.239 14.9-160.6 -56.4 159.4 6.5 -14.9 -48.3 54 59 A D S S+ 0 0 26 2,-0.1 2,-0.3 3,-0.0 224,-0.2 0.605 78.2 70.0-106.1 -36.5 8.5 -14.2 -45.2 55 60 A T S S- 0 0 5 1,-0.1 24,-0.2 222,-0.1 5,-0.1 -0.698 102.5 -92.8 -91.8 139.7 5.8 -12.1 -43.7 56 61 A E >> - 0 0 11 -2,-0.3 4,-2.0 1,-0.1 3,-1.0 -0.215 37.6-121.9 -50.4 140.5 2.5 -13.5 -42.5 57 62 A S H 3> S+ 0 0 0 20,-3.5 4,-1.7 1,-0.3 -1,-0.1 0.912 110.7 49.5 -55.9 -43.9 0.0 -13.4 -45.4 58 63 A Y H 34 S+ 0 0 17 1,-0.2 -1,-0.3 19,-0.2 7,-0.1 0.631 111.7 48.1 -76.9 -16.1 -2.4 -11.2 -43.4 59 64 A A H <4 S+ 0 0 0 -3,-1.0 -1,-0.2 1,-0.1 -2,-0.2 0.735 111.8 48.9 -91.3 -31.0 0.3 -8.7 -42.3 60 65 A Y H < S+ 0 0 19 -4,-2.0 2,-2.8 1,-0.2 3,-0.3 0.823 90.9 88.3 -71.2 -33.1 1.7 -8.3 -45.8 61 66 A G >X + 0 0 1 -4,-1.7 4,-2.2 -5,-0.2 3,-0.8 -0.290 41.8 154.7 -76.6 62.7 -1.8 -7.8 -47.2 62 67 A Y H 3> S+ 0 0 4 -2,-2.8 4,-2.4 1,-0.3 6,-0.3 0.921 73.8 60.5 -49.2 -46.7 -2.1 -4.0 -46.9 63 68 A F H 34>S+ 0 0 6 -3,-0.3 6,-1.7 1,-0.3 5,-1.3 0.851 109.6 41.6 -55.1 -36.3 -4.6 -4.1 -49.7 64 69 A A H X45S+ 0 0 1 -3,-0.8 3,-1.2 4,-0.2 -1,-0.3 0.859 112.5 54.2 -72.0 -38.6 -6.8 -6.4 -47.6 65 70 A L H 3<5S+ 0 0 15 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.785 107.3 50.3 -69.5 -31.5 -6.2 -4.5 -44.3 66 71 A K T 3<5S- 0 0 95 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.1 0.244 114.9-117.6 -90.9 6.7 -7.3 -1.2 -45.9 67 72 A G T < 5S+ 0 0 39 -3,-1.2 -3,-0.2 -5,-0.2 -2,-0.1 0.683 79.7 126.7 64.5 17.4 -10.5 -2.8 -47.2 68 73 A I S S+ 0 0 0 -6,-1.7 3,-2.1 1,-0.1 -1,-0.2 -0.480 85.1 160.7-129.2 65.6 -10.2 -6.0 -51.2 70 75 A P T 3 + 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.749 68.4 61.0 -65.7 -24.0 -11.4 -6.8 -47.7 71 76 A E T 3 S+ 0 0 87 -4,-0.1 -7,-0.1 -3,-0.1 160,-0.0 0.478 74.8 132.6 -83.9 -5.1 -13.0 -10.1 -48.7 72 77 A W < - 0 0 33 -3,-2.1 2,-0.5 1,-0.1 159,-0.1 -0.123 46.3-146.3 -49.9 141.0 -9.7 -11.6 -49.9 73 78 A E - 0 0 120 158,-0.0 2,-0.3 155,-0.0 -1,-0.1 -0.962 4.6-155.9-117.0 121.0 -9.0 -15.1 -48.7 74 79 A W - 0 0 7 -2,-0.5 153,-0.1 1,-0.1 3,-0.1 -0.751 0.7-161.3 -91.2 150.4 -5.5 -16.4 -47.9 75 80 A S S S+ 0 0 53 -2,-0.3 147,-2.8 1,-0.1 2,-0.3 0.620 72.2 22.2-106.7 -20.6 -5.1 -20.1 -48.1 76 81 A E B S-J 221 0C 44 145,-0.3 3,-0.3 1,-0.1 -1,-0.1 -0.893 77.8-114.0-139.8 166.4 -1.9 -20.5 -46.1 77 82 A N S S+ 0 0 15 143,-1.8 -20,-3.5 1,-0.3 2,-0.6 0.861 113.9 35.2 -73.2 -35.3 -0.1 -18.5 -43.4 78 83 A F S S- 0 0 2 142,-0.2 -1,-0.3 -22,-0.2 -22,-0.1 -0.857 95.5-139.7-121.8 91.2 2.9 -17.8 -45.7 79 84 A A - 0 0 0 -2,-0.6 -26,-2.1 -3,-0.3 -24,-0.1 -0.175 11.8-123.5 -61.7 137.7 1.5 -17.4 -49.2 80 85 A S B > -I 52 0B 24 -28,-0.2 4,-2.0 1,-0.1 3,-0.4 -0.215 32.7 -97.9 -66.1 167.2 3.3 -19.0 -52.2 81 86 A Q H > S+ 0 0 11 -30,-2.5 4,-2.5 1,-0.2 5,-0.3 0.927 122.5 52.0 -51.2 -51.3 4.4 -16.8 -55.2 82 87 A P H > S+ 0 0 63 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.822 109.8 50.2 -60.4 -28.0 1.4 -17.8 -57.3 83 88 A E H > S+ 0 0 3 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.897 109.5 50.8 -77.4 -39.5 -1.0 -16.8 -54.5 84 89 A M H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.941 109.0 49.9 -59.4 -51.2 0.6 -13.5 -54.1 85 90 A L H X S+ 0 0 25 -4,-2.5 4,-2.2 -42,-0.3 -1,-0.2 0.819 108.6 54.3 -60.6 -34.2 0.5 -12.7 -57.8 86 91 A R H X S+ 0 0 134 -4,-1.4 4,-2.6 -5,-0.3 -2,-0.2 0.966 108.9 48.8 -59.7 -52.4 -3.2 -13.6 -57.6 87 92 A Y H X S+ 0 0 3 -4,-2.4 4,-3.4 1,-0.2 -2,-0.2 0.927 111.8 47.6 -48.7 -57.6 -3.7 -11.1 -54.7 88 93 A V H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.923 111.0 52.0 -55.2 -44.8 -1.9 -8.3 -56.6 89 94 A N H X S+ 0 0 42 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.955 113.9 43.1 -56.7 -51.4 -4.0 -9.0 -59.7 90 95 A R H X S+ 0 0 90 -4,-2.6 4,-1.7 2,-0.2 5,-0.2 0.911 111.5 55.1 -55.8 -46.3 -7.2 -8.8 -57.7 91 96 A A H X S+ 0 0 0 -4,-3.4 4,-1.1 1,-0.2 -2,-0.2 0.944 107.6 49.0 -57.8 -47.4 -5.9 -5.7 -55.9 92 97 A A H X>S+ 0 0 0 -4,-2.9 5,-1.6 1,-0.2 4,-1.3 0.828 105.3 60.5 -61.4 -35.6 -5.3 -3.9 -59.2 93 98 A D H ><5S+ 0 0 86 -4,-1.8 3,-0.6 -5,-0.2 -1,-0.2 0.955 107.4 42.5 -48.6 -58.2 -8.8 -4.9 -60.4 94 99 A A H 3<5S+ 0 0 52 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.634 115.9 49.4 -72.7 -17.9 -10.6 -3.0 -57.5 95 100 A M H 3<5S- 0 0 13 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.694 98.0-141.6 -85.0 -23.6 -8.3 -0.1 -57.9 96 101 A D T <<5 + 0 0 90 -4,-1.3 -3,-0.2 -3,-0.6 -2,-0.1 0.942 52.2 143.9 53.2 55.9 -8.9 -0.0 -61.7 97 102 A V > < + 0 0 0 -5,-1.6 3,-1.2 1,-0.1 4,-0.2 0.597 39.3 80.5-102.7 -11.8 -5.2 0.9 -62.0 98 103 A R G > S+ 0 0 66 -6,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.861 83.8 63.3 -68.0 -36.7 -4.1 -1.0 -65.2 99 104 A K G 3 S+ 0 0 141 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.605 97.0 60.5 -61.7 -14.7 -5.5 1.6 -67.6 100 105 A H G < S+ 0 0 25 -3,-1.2 -68,-2.3 -69,-0.1 2,-0.3 0.552 96.6 82.1 -90.3 -6.6 -3.1 4.1 -66.2 101 106 A Y E < -c 32 0A 18 -3,-2.0 2,-0.7 -70,-0.2 -68,-0.2 -0.708 63.7-143.6-112.2 149.5 0.0 2.1 -67.2 102 107 A R E -c 33 0A 88 -70,-2.9 -68,-2.6 -2,-0.3 3,-0.4 -0.926 30.3-162.5-101.7 110.6 2.3 1.4 -70.1 103 108 A F + 0 0 43 -2,-0.7 -66,-0.2 1,-0.2 -68,-0.2 -0.295 67.5 30.6 -85.0 173.3 3.4 -2.2 -70.0 104 109 A N S S+ 0 0 96 -68,-2.9 2,-0.4 1,-0.2 -69,-0.3 0.843 96.6 122.1 47.4 41.5 6.3 -3.8 -71.8 105 110 A T - 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0 0 43 -4,-1.6 4,-2.4 1,-0.1 -1,-0.2 -0.966 59.8-154.3-131.2 117.5 24.9 -6.7 -27.6 292 299 A K H > S+ 0 0 171 -2,-0.5 4,-2.8 1,-0.2 -1,-0.1 0.874 99.3 51.6 -59.1 -38.7 27.6 -9.3 -28.7 293 300 A E H > S+ 0 0 109 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.926 110.6 46.5 -66.2 -48.3 26.9 -11.4 -25.6 294 301 A S H > S+ 0 0 2 -7,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.917 114.0 49.4 -60.1 -45.4 23.1 -11.6 -26.2 295 302 A N H X S+ 0 0 4 -4,-2.4 4,-3.0 -8,-0.3 3,-0.3 0.939 104.7 57.6 -59.6 -49.6 23.7 -12.4 -29.8 296 303 A K H X S+ 0 0 121 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.848 102.3 57.3 -46.2 -41.6 26.2 -15.2 -29.0 297 304 A F H X S+ 0 0 41 -4,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.928 112.1 38.3 -60.5 -49.2 23.4 -16.8 -26.9 298 305 A L H X S+ 0 0 0 -4,-1.3 4,-2.3 -3,-0.3 5,-0.2 0.880 113.9 56.2 -68.4 -39.4 21.0 -17.1 -29.8 299 306 A A H X S+ 0 0 4 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.868 107.9 47.9 -63.8 -34.8 23.7 -17.9 -32.3 300 307 A D H X S+ 0 0 85 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.803 109.6 53.7 -74.6 -32.4 24.9 -20.9 -30.2 301 308 A F H X S+ 0 0 5 -4,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.940 111.0 44.0 -65.6 -51.4 21.3 -22.2 -29.8 302 309 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.894 112.1 55.3 -60.7 -40.1 20.7 -22.2 -33.6 303 310 A A H X S+ 0 0 2 -4,-1.9 4,-1.8 -5,-0.2 3,-0.3 0.981 108.5 47.0 -53.6 -59.4 24.1 -23.7 -34.1 304 311 A K H X S+ 0 0 81 -4,-2.5 4,-0.9 1,-0.3 -1,-0.2 0.896 110.0 53.8 -50.7 -45.3 23.1 -26.5 -31.8 305 312 A K H >X S+ 0 0 7 -4,-2.7 4,-2.1 1,-0.2 3,-1.2 0.927 105.1 54.7 -57.5 -43.6 19.8 -26.8 -33.6 306 313 A I H 3X S+ 0 0 0 -4,-2.8 4,-1.9 -3,-0.3 -1,-0.2 0.877 105.1 52.1 -57.3 -41.8 21.7 -27.2 -37.0 307 314 A R H 3< S+ 0 0 117 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.653 108.4 54.0 -70.3 -16.7 23.8 -30.1 -35.6 308 315 A Q H << S+ 0 0 110 -3,-1.2 -2,-0.2 -4,-0.9 -1,-0.2 0.924 111.8 41.5 -77.2 -50.9 20.5 -31.8 -34.6 309 316 A R H < S+ 0 0 30 -4,-2.1 2,-0.6 1,-0.1 -2,-0.2 0.758 108.9 66.5 -72.3 -24.3 18.9 -31.6 -38.0 310 317 A V < - 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