==== 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 3UOZ . COMPND 2 MOLECULE: OTEMO; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR R.SHI,A.MATTE,M.CYGLER,P.LAU . 1080 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43527.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 754 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 105 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 9.0 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 . 10 0.9 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 . 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 . 86 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 286 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.3 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 14 0 1 1 2 2 1 0 2 5 1 1 2 0 2 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 5 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 . 15 0 5 1 4 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 0 109 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 111.4 47.9 -15.1 16.9 2 7 A S - 0 0 98 128,-0.0 2,-0.1 1,-0.0 115,-0.1 -0.860 360.0 -97.4-115.3 149.1 46.2 -15.7 13.6 3 8 A P - 0 0 20 0, 0.0 129,-0.1 0, 0.0 128,-0.1 -0.400 12.5-139.1 -79.9 141.7 42.4 -15.6 13.1 4 9 A A S S+ 0 0 65 -2,-0.1 2,-0.3 127,-0.1 127,-0.2 0.747 87.2 38.4 -57.2 -34.0 40.1 -18.6 13.1 5 10 A L E -a 131 0A 36 125,-1.2 127,-2.0 1,-0.1 25,-0.2 -0.909 65.1-140.7-127.3 151.1 38.0 -17.2 10.1 6 11 A D E S- 0 0 39 23,-2.1 127,-2.0 -2,-0.3 2,-0.3 0.852 90.4 -2.0 -69.3 -35.3 38.7 -15.3 6.9 7 12 A A E -ab 133 30A 0 22,-2.0 24,-2.1 125,-0.2 2,-0.4 -0.998 51.1-150.0-158.9 145.3 35.6 -13.2 7.5 8 13 A V E -ab 134 31A 0 125,-2.1 127,-2.2 -2,-0.3 2,-0.5 -0.979 18.5-159.3-113.0 134.3 32.5 -12.6 9.7 9 14 A V E -ab 135 32A 0 22,-2.5 24,-2.2 -2,-0.4 2,-0.6 -0.985 6.0-152.3-111.0 117.8 29.4 -11.3 8.0 10 15 A I E +ab 136 33A 14 125,-2.6 127,-2.9 -2,-0.5 24,-0.2 -0.848 61.5 33.8 -92.0 120.1 27.0 -9.5 10.3 11 16 A G - 0 0 8 22,-2.9 22,-0.1 -2,-0.6 23,-0.1 -0.025 55.8-142.2 115.4 142.0 23.4 -9.8 9.0 12 17 A A + 0 0 0 4,-0.2 28,-3.1 26,-0.1 29,-0.4 -0.174 61.3 116.0-128.2 38.6 21.2 -12.3 7.0 13 18 A G S > S- 0 0 15 124,-0.4 4,-2.4 27,-0.2 5,-0.3 -0.265 92.9 -75.0 -80.3-171.2 19.2 -9.9 4.9 14 19 A V H > S+ 0 0 16 26,-0.4 4,-1.2 1,-0.2 5,-0.1 0.795 133.7 49.8 -62.6 -27.8 19.8 -10.2 1.1 15 20 A T H > S+ 0 0 15 2,-0.2 4,-2.4 3,-0.1 -1,-0.2 0.962 112.7 44.8 -74.9 -52.1 23.1 -8.4 1.3 16 21 A G H > S+ 0 0 0 121,-0.3 4,-2.3 2,-0.2 5,-0.2 0.918 111.9 48.8 -58.3 -52.0 24.6 -10.5 4.1 17 22 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.928 113.9 48.0 -59.7 -44.6 23.6 -14.0 2.9 18 23 A Y H X S+ 0 0 4 -4,-1.2 4,-2.3 -5,-0.3 -1,-0.2 0.909 110.7 50.9 -60.8 -43.4 24.9 -13.2 -0.6 19 24 A Q H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.860 111.3 48.9 -59.8 -39.2 28.2 -11.9 0.7 20 25 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.933 109.3 51.8 -67.6 -47.8 28.6 -15.0 2.8 21 26 A F H X S+ 0 0 35 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.904 110.3 49.5 -52.7 -44.4 27.8 -17.3 -0.2 22 27 A L H X S+ 0 0 12 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.909 109.9 49.6 -67.0 -43.4 30.5 -15.5 -2.3 23 28 A I H <>S+ 0 0 0 -4,-1.9 5,-1.4 1,-0.2 -1,-0.2 0.914 115.9 42.4 -62.3 -43.0 33.2 -15.8 0.4 24 29 A N H ><5S+ 0 0 66 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.875 111.1 55.4 -72.0 -34.3 32.6 -19.5 0.9 25 30 A Q H 3<5S+ 0 0 129 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.851 101.9 58.8 -66.3 -32.8 32.3 -20.1 -2.9 26 31 A A T 3<5S- 0 0 43 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.333 127.8-101.4 -76.6 6.0 35.7 -18.5 -3.2 27 32 A G T < 5S+ 0 0 55 -3,-1.7 2,-0.2 1,-0.2 -3,-0.2 0.843 79.0 129.0 79.5 37.2 37.1 -21.2 -0.9 28 33 A M < - 0 0 5 -5,-1.4 2,-0.8 -23,-0.0 -1,-0.2 -0.759 62.7-104.1-122.7 166.9 37.3 -19.2 2.3 29 34 A K + 0 0 137 -2,-0.2 -23,-2.1 2,-0.0 -22,-2.0 -0.807 44.7 171.7 -97.4 109.7 36.2 -19.5 6.0 30 35 A V E -b 7 0A 11 -2,-0.8 2,-0.5 -24,-0.2 -22,-0.2 -0.918 20.9-162.3-119.4 142.1 33.2 -17.3 6.8 31 36 A L E -b 8 0A 21 -24,-2.1 -22,-2.5 -2,-0.4 2,-0.4 -0.992 10.5-158.9-120.3 123.5 30.9 -17.0 9.8 32 37 A G E -bc 9 101A 0 68,-3.2 70,-2.9 -2,-0.5 2,-0.4 -0.876 5.3-162.1-102.2 138.8 27.6 -15.2 9.5 33 38 A I E +bc 10 102A 1 -24,-2.2 -22,-2.9 -2,-0.4 2,-0.4 -0.974 10.7 176.4-124.3 127.7 25.8 -13.8 12.6 34 39 A E E - c 0 103A 16 68,-2.5 71,-1.9 -2,-0.4 70,-0.5 -0.984 27.5-152.0-141.6 129.3 22.1 -12.9 12.7 35 40 A A S S+ 0 0 48 -2,-0.4 71,-0.1 69,-0.3 -1,-0.1 0.768 79.1 68.8 -61.0 -35.2 19.9 -11.7 15.5 36 41 A G S S- 0 0 2 2,-0.2 68,-2.0 68,-0.1 69,-0.3 -0.262 96.3-101.2 -85.5 177.7 16.7 -13.1 14.2 37 42 A E S S- 0 0 136 66,-0.2 2,-0.2 67,-0.1 66,-0.1 0.655 92.4 -15.5 -69.0 -19.1 15.6 -16.8 13.8 38 43 A D S S- 0 0 53 3,-0.0 3,-0.4 65,-0.0 -2,-0.2 -0.903 88.5 -43.9-173.1-177.7 16.4 -17.1 10.1 39 44 A V S S+ 0 0 0 -2,-0.2 -26,-0.2 1,-0.2 50,-0.1 -0.185 83.5 71.5 -75.5 158.7 17.1 -15.3 6.8 40 45 A G > - 0 0 1 -28,-3.1 3,-2.3 48,-0.1 -26,-0.4 0.011 52.6-165.3 134.7 -29.7 15.4 -12.2 5.2 41 46 A G T >> S+ 0 0 10 -3,-0.4 4,-3.0 -29,-0.4 3,-2.0 -0.322 88.4 20.9 50.2-118.2 16.4 -9.1 7.2 42 47 A T H 3> S+ 0 0 70 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.826 133.6 46.1 -37.2 -46.7 13.9 -6.5 6.0 43 48 A W H <4 S+ 0 0 19 -3,-2.3 -1,-0.3 1,-0.2 42,-0.2 0.536 113.8 47.3 -86.4 -13.0 11.5 -9.4 4.9 44 49 A Y H <4 S+ 0 0 35 -3,-2.0 -2,-0.2 -6,-0.1 -1,-0.2 0.832 120.4 37.4 -82.3 -46.0 11.9 -11.4 8.0 45 50 A W H < S+ 0 0 115 -4,-3.0 2,-1.2 1,-0.2 120,-0.4 0.813 101.6 69.8 -80.0 -34.9 11.3 -8.4 10.4 46 51 A N < + 0 0 15 -4,-2.4 -1,-0.2 -5,-0.3 117,-0.1 -0.600 46.4 151.4 -94.0 88.3 8.7 -6.3 8.7 47 52 A R + 0 0 38 -2,-1.2 -1,-0.1 115,-0.2 116,-0.1 0.213 25.3 136.4-105.8 22.9 5.3 -8.1 8.8 48 53 A Y > - 0 0 20 114,-0.4 3,-1.7 1,-0.1 2,-0.2 -0.138 66.4 -84.3 -64.5 158.2 2.9 -5.1 8.8 49 54 A P T 3 S+ 0 0 15 0, 0.0 149,-0.2 0, 0.0 -1,-0.1 -0.496 114.6 16.1 -70.1 128.0 -0.3 -5.0 6.7 50 55 A G T 3 S+ 0 0 19 1,-0.3 145,-0.1 -2,-0.2 -2,-0.1 0.276 79.3 158.1 94.4 -8.2 0.5 -3.8 3.2 51 56 A C < + 0 0 11 -3,-1.7 30,-2.2 29,-0.1 -1,-0.3 -0.300 19.6 145.7 -54.6 124.9 4.2 -4.3 3.3 52 57 A R B -I 80 0B 60 28,-0.3 28,-0.2 -3,-0.1 27,-0.1 -0.986 48.5 -88.5-164.0 149.4 5.3 -4.6 -0.3 53 58 A L - 0 0 5 26,-2.2 4,-0.1 -2,-0.3 3,-0.0 -0.109 12.8-159.7 -57.3 156.2 8.2 -3.7 -2.7 54 59 A D S S+ 0 0 37 2,-0.1 2,-0.4 3,-0.0 226,-0.2 0.305 79.0 79.2-108.0 -4.9 8.5 -0.4 -4.5 55 60 A T S S- 0 0 1 24,-0.1 24,-0.2 224,-0.1 -2,-0.1 -0.871 100.8 -98.4-100.1 134.6 10.9 -2.1 -6.9 56 61 A E >> - 0 0 10 -2,-0.4 4,-2.5 1,-0.1 3,-0.7 -0.270 37.2-124.7 -44.9 136.3 9.5 -4.3 -9.7 57 62 A S H 3> S+ 0 0 0 20,-1.7 4,-1.9 1,-0.3 -1,-0.1 0.874 109.6 50.0 -63.6 -43.2 9.8 -7.8 -8.4 58 63 A Y H 34 S+ 0 0 15 19,-0.2 -1,-0.3 2,-0.2 7,-0.2 0.746 112.6 49.7 -69.0 -23.1 11.8 -9.2 -11.3 59 64 A A H <4 S+ 0 0 0 -3,-0.7 -2,-0.2 1,-0.1 -1,-0.2 0.909 112.1 45.0 -78.1 -43.0 14.2 -6.1 -10.9 60 65 A Y H < S+ 0 0 23 -4,-2.5 2,-2.5 1,-0.2 3,-0.2 0.828 93.2 87.1 -67.6 -34.1 14.8 -6.5 -7.2 61 66 A G >X + 0 0 0 -4,-1.9 4,-2.7 -5,-0.2 3,-0.7 -0.356 45.6 159.8 -74.2 66.4 15.2 -10.3 -7.5 62 67 A Y H 3> S+ 0 0 2 -2,-2.5 4,-2.4 1,-0.2 6,-0.2 0.771 70.6 62.2 -59.0 -27.4 18.9 -10.3 -8.2 63 68 A F H 34>S+ 0 0 8 2,-0.2 6,-2.0 -3,-0.2 5,-1.5 0.873 109.1 41.0 -71.2 -35.0 19.2 -14.0 -7.1 64 69 A A H X45S+ 0 0 1 -3,-0.7 3,-1.4 4,-0.2 -2,-0.2 0.959 115.2 50.9 -71.0 -55.4 16.8 -14.9 -9.9 65 70 A L H 3<5S+ 0 0 10 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.865 109.8 52.4 -44.0 -44.3 18.5 -12.5 -12.5 66 71 A K T 3<5S- 0 0 91 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.622 116.3-108.7 -77.9 -14.8 21.9 -14.0 -11.6 67 72 A G T < 5S+ 0 0 48 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.541 89.7 112.2 98.0 7.7 21.1 -17.6 -12.2 68 73 A I S S+ 0 0 0 -6,-2.0 3,-2.1 1,-0.1 -1,-0.2 -0.366 78.5 154.5-130.2 58.3 17.3 -19.3 -8.6 70 75 A P T 3 + 0 0 52 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 0.778 68.4 67.2 -58.7 -26.9 16.2 -18.5 -12.2 71 76 A E T 3 S+ 0 0 87 -3,-0.1 -7,-0.1 -4,-0.1 162,-0.0 0.622 73.7 132.3 -68.3 -11.5 13.2 -20.8 -11.9 72 77 A W < - 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0 0 58 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.043 38.5-106.0 -63.4 172.6 5.4 23.2 -24.0 264 269 A E H > S+ 0 0 133 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.871 122.2 53.2 -66.7 -34.4 3.3 23.2 -20.9 265 270 A S H > S+ 0 0 97 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.782 107.0 50.2 -71.5 -32.6 0.7 21.1 -22.7 266 271 A E H > S+ 0 0 109 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.793 107.1 54.4 -76.2 -32.7 3.2 18.5 -23.7 267 272 A R H X S+ 0 0 27 -4,-1.4 4,-4.1 2,-0.2 5,-0.2 0.911 108.3 50.3 -62.9 -45.8 4.6 18.1 -20.1 268 273 A D H X S+ 0 0 49 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.876 110.1 47.6 -64.0 -43.9 1.1 17.5 -18.8 269 274 A A H X S+ 0 0 67 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.888 116.0 46.9 -58.5 -43.1 0.4 14.8 -21.4 270 275 A F H X S+ 0 0 37 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.956 115.0 44.5 -68.0 -49.8 3.8 13.3 -20.5 271 276 A F H X S+ 0 0 5 -4,-4.1 4,-2.7 1,-0.2 -2,-0.2 0.890 110.7 56.6 -57.9 -41.0 3.2 13.5 -16.7 272 277 A E H X S+ 0 0 57 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.903 107.7 47.0 -63.6 -42.5 -0.4 12.2 -17.2 273 278 A E H X S+ 0 0 131 -4,-2.0 4,-1.6 2,-0.2 3,-0.3 0.943 114.7 44.4 -64.3 -50.2 0.8 9.0 -18.9 274 279 A L H < S+ 0 0 17 -4,-2.0 8,-0.5 1,-0.2 3,-0.2 0.902 108.1 59.4 -62.8 -40.8 3.6 8.2 -16.4 275 280 A Y H < S+ 0 0 16 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.879 110.2 43.9 -54.8 -37.1 1.3 9.0 -13.5 276 281 A R H < S+ 0 0 182 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.777 97.7 81.2 -86.0 -23.9 -1.0 6.2 -14.8 277 282 A Q S < S- 0 0 77 -4,-1.6 5,-0.3 -3,-0.2 4,-0.0 -0.549 90.8 -94.0 -84.5 150.4 1.5 3.6 -15.6 278 283 A P S S+ 0 0 62 0, 0.0 3,-0.5 0, 0.0 -58,-0.2 -0.187 76.7 6.7 -64.5 150.0 2.8 1.4 -12.7 279 284 A G S > S- 0 0 1 -60,-1.7 3,-0.5 -61,-0.2 4,-0.1 -0.361 107.7 -32.0 88.4-157.4 5.9 1.9 -10.6 280 285 A Y T >> S+ 0 0 0 -226,-0.2 4,-3.5 1,-0.2 3,-2.3 0.382 91.4 111.1 -88.6 1.7 8.5 4.7 -10.3 281 286 A G H 3> S+ 0 0 1 -3,-0.5 4,-3.1 1,-0.3 -1,-0.2 0.860 74.4 59.5 -40.4 -49.9 8.4 5.9 -13.9 282 287 A I H <4 S+ 0 0 4 -3,-0.5 -1,-0.3 -8,-0.5 -2,-0.1 0.774 120.6 27.4 -51.4 -32.1 6.8 9.1 -12.9 283 288 A W H <4 S+ 0 0 7 -3,-2.3 3,-0.5 -9,-0.1 -2,-0.2 0.818 129.7 37.8 -95.7 -42.8 9.9 9.8 -10.7 284 289 A L H < S+ 0 0 9 -4,-3.5 -3,-0.2 1,-0.2 -2,-0.2 0.602 116.6 46.7 -95.4 -15.0 12.7 7.9 -12.5 285 290 A S S < S+ 0 0 21 -4,-3.1 -1,-0.2 -5,-0.4 -30,-0.2 0.147 89.9 122.9-104.7 19.2 11.8 8.5 -16.1 286 291 A G S S- 0 0 1 -3,-0.5 -31,-3.5 1,-0.2 2,-0.1 0.195 76.1 -58.1 -68.0-167.3 11.3 12.2 -15.6 287 292 A F B > -v 255 0J 4 -33,-0.2 3,-2.3 9,-0.2 4,-0.2 -0.467 54.7-112.2 -69.1 144.6 13.0 15.1 -17.3 288 293 A R T 3 S+ 0 0 129 -31,-1.9 3,-0.4 -33,-0.7 -30,-0.2 0.788 115.8 50.7 -51.2 -30.7 16.8 15.0 -16.9 289 294 A D T >> S+ 0 0 14 -32,-0.4 4,-2.1 1,-0.2 3,-1.5 0.216 72.8 115.7 -96.9 14.8 16.8 18.2 -14.7 290 295 A L T <4 S+ 0 0 4 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.873 87.4 30.2 -51.1 -47.0 14.1 17.0 -12.3 291 296 A L T 34 S+ 0 0 23 -3,-0.4 198,-2.8 -4,-0.2 199,-0.3 0.243 123.4 49.3-101.6 14.2 16.4 16.9 -9.2 292 297 A L T <4 S+ 0 0 103 -3,-1.5 2,-0.5 196,-0.2 -2,-0.2 0.538 101.3 60.2-122.0 -15.9 18.7 19.8 -10.4 293 298 A N >X - 0 0 62 -4,-2.1 4,-2.0 1,-0.1 3,-0.8 -0.925 61.5-152.3-128.8 110.3 16.3 22.6 -11.4 294 299 A K H 3> S+ 0 0 154 -2,-0.5 4,-1.6 1,-0.3 -1,-0.1 0.837 100.2 46.2 -40.9 -51.1 13.7 24.3 -9.0 295 300 A E H 3> S+ 0 0 116 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.835 110.7 51.1 -65.4 -37.1 11.4 25.1 -11.9 296 301 A S H <> S+ 0 0 2 -3,-0.8 4,-0.7 -7,-0.2 -1,-0.2 0.759 111.6 49.4 -73.2 -28.3 11.5 21.7 -13.5 297 302 A N H X S+ 0 0 7 -4,-2.0 4,-2.6 -8,-0.2 31,-0.3 0.823 105.0 57.7 -76.2 -32.1 10.7 20.2 -10.2 298 303 A K H X S+ 0 0 117 -4,-1.6 4,-2.9 -5,-0.3 -2,-0.2 0.802 98.1 62.1 -71.7 -26.9 7.8 22.5 -9.7 299 304 A F H X S+ 0 0 32 -4,-1.1 4,-1.4 2,-0.2 -1,-0.2 0.923 112.3 35.5 -59.2 -46.5 6.2 21.3 -12.9 300 305 A L H X S+ 0 0 0 -4,-0.7 4,-3.0 -3,-0.2 5,-0.3 0.902 116.1 53.3 -82.5 -42.2 5.9 17.8 -11.6 301 306 A A H X S+ 0 0 9 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.919 110.3 49.9 -48.8 -51.1 5.2 18.9 -8.0 302 307 A D H X S+ 0 0 79 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.875 112.5 48.4 -57.1 -40.5 2.3 21.0 -9.4 303 308 A F H X S+ 0 0 4 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.906 111.5 45.5 -71.6 -46.5 1.1 18.1 -11.3 304 309 A V H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.889 111.9 55.3 -63.9 -37.4 1.1 15.5 -8.5 305 310 A A H X S+ 0 0 6 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.949 104.9 51.5 -58.7 -51.7 -0.5 18.1 -6.3 306 311 A K H X S+ 0 0 64 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.853 109.5 52.2 -50.4 -38.7 -3.4 18.5 -8.8 307 312 A K H X S+ 0 0 5 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.903 104.2 54.5 -68.7 -40.8 -3.7 14.7 -8.7 308 313 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.917 109.4 48.8 -57.3 -43.7 -4.0 14.7 -4.9 309 314 A R H < S+ 0 0 115 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.871 110.2 51.1 -65.1 -39.0 -6.9 17.2 -5.2 310 315 A Q H < S+ 0 0 111 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.883 115.6 42.5 -58.3 -41.4 -8.7 15.1 -7.9 311 316 A R H < S+ 0 0 32 -4,-2.1 2,-0.6 1,-0.2 -2,-0.2 0.721 107.8 60.0 -84.6 -27.7 -8.4 12.0 -5.7 312 317 A V < - 0 0 1 -4,-1.9 6,-0.2 -5,-0.2 -1,-0.2 -0.917 68.4-161.0-106.0 108.2 -9.3 13.5 -2.2 313 318 A K S S+ 0 0 161 -2,-0.6 -1,-0.1 28,-0.1 31,-0.1 0.821 70.5 76.7 -62.1 -36.1 -12.9 15.0 -2.4 314 319 A D > - 0 0 85 1,-0.1 4,-2.7 29,-0.1 5,-0.1 -0.658 69.3-153.8 -80.6 119.7 -12.6 17.2 0.7 315 320 A P H > S+ 0 0 97 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.820 91.6 47.3 -66.9 -35.8 -10.5 20.4 -0.1 316 321 A V H > S+ 0 0 97 2,-0.2 4,-1.2 1,-0.2 -2,-0.0 0.924 115.8 46.6 -68.7 -43.6 -9.3 21.2 3.4 317 322 A V H >> S+ 0 0 34 1,-0.2 4,-1.0 2,-0.2 3,-0.5 0.946 111.4 53.0 -58.5 -48.0 -8.3 17.6 3.9 318 323 A A H 3X S+ 0 0 0 -4,-2.7 4,-0.5 1,-0.2 3,-0.4 0.854 105.3 52.0 -61.0 -39.8 -6.6 17.5 0.4 319 324 A E H >< S+ 0 0 81 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.807 102.7 60.0 -70.2 -26.4 -4.4 20.6 1.0 320 325 A K H << S+ 0 0 77 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.841 104.4 51.0 -68.5 -27.5 -3.1 19.1 4.3 321 326 A L H 3< S+ 0 0 2 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.553 91.1 89.0 -84.0 -10.9 -1.7 16.1 2.3 322 327 A I S << S- 0 0 7 -3,-0.6 2,-0.2 -4,-0.5 -107,-0.1 -0.781 78.8-132.4 -87.6 124.4 0.1 18.3 -0.2 323 328 A P + 0 0 10 0, 0.0 -2,-0.1 0, 0.0 -109,-0.1 -0.523 29.6 175.6 -81.5 146.0 3.6 19.1 0.9 324 329 A K S S+ 0 0 139 -2,-0.2 -2,-0.0 -111,-0.1 0, 0.0 0.560 70.9 74.7-113.9 -19.7 5.1 22.6 0.9 325 330 A D S S+ 0 0 111 1,-0.1 -113,-0.0 2,-0.0 -1,-0.0 0.854 98.6 19.8 -49.9 -53.4 8.4 21.7 2.6 326 331 A H S S- 0 0 19 1,-0.0 -1,-0.1 168,-0.0 3,-0.1 -0.909 74.2 -96.4-143.8 151.4 10.2 19.9 -0.2 327 332 A P > - 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0 0 50 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.092 36.0-106.1 -62.0 163.4 51.3 23.6 -14.5 805 269 B E H > S+ 0 0 133 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.939 120.4 40.2 -57.9 -53.2 53.7 23.3 -17.4 806 270 B S H > S+ 0 0 91 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.775 111.3 57.1 -71.4 -26.9 56.3 21.3 -15.5 807 271 B E H > S+ 0 0 114 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.899 111.6 46.3 -63.2 -36.4 53.7 19.3 -13.7 808 272 B R H X S+ 0 0 26 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.888 108.3 52.0 -70.3 -47.5 52.5 18.3 -17.2 809 273 B D H X S+ 0 0 56 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.883 112.0 47.3 -66.5 -33.6 55.9 17.5 -18.7 810 274 B A H X S+ 0 0 64 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.879 111.5 51.6 -64.0 -45.9 56.6 15.1 -15.7 811 275 B F H X S+ 0 0 47 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.961 114.0 43.4 -55.6 -53.8 53.2 13.6 -16.1 812 276 B F H X S+ 0 0 4 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.824 110.5 55.9 -59.8 -36.7 54.0 13.0 -19.9 813 277 B E H X S+ 0 0 51 -4,-1.9 4,-1.2 -5,-0.2 -2,-0.2 0.940 110.6 44.3 -65.2 -45.9 57.5 11.7 -19.2 814 278 B E H X S+ 0 0 131 -4,-2.2 4,-1.4 2,-0.2 3,-0.4 0.942 116.6 45.4 -60.5 -53.9 56.2 9.0 -16.8 815 279 B L H < S+ 0 0 9 -4,-2.2 8,-0.4 1,-0.2 3,-0.4 0.908 108.4 57.3 -53.4 -49.6 53.4 8.0 -19.2 816 280 B Y H < S+ 0 0 16 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.834 110.6 44.8 -51.9 -35.2 55.7 8.0 -22.2 817 281 B R H < S+ 0 0 175 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.720 94.9 90.8 -89.6 -17.8 57.9 5.5 -20.4 818 282 B Q S < S- 0 0 76 -4,-1.4 5,-0.3 -3,-0.4 2,-0.0 -0.476 86.9-107.0 -68.5 142.7 55.0 3.3 -19.2 819 283 B P S > S+ 0 0 56 0, 0.0 3,-0.5 0, 0.0 -58,-0.2 -0.355 74.5 11.1 -69.1 153.8 54.2 0.5 -21.7 820 284 B G T > S- 0 0 2 -60,-2.1 3,-0.6 -61,-0.3 4,-0.1 -0.336 111.2 -32.7 88.9-159.1 51.1 0.5 -23.9 821 285 B Y T >> S+ 0 0 0 -226,-0.3 4,-3.1 1,-0.2 3,-1.3 0.326 92.2 110.4 -91.9 6.0 48.6 3.1 -24.7 822 286 B G H <> S+ 0 0 0 -3,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.886 74.2 61.9 -42.0 -48.2 48.6 5.0 -21.4 823 287 B I H <4 S+ 0 0 4 -3,-0.6 -1,-0.2 -8,-0.4 -2,-0.1 0.849 118.7 26.8 -48.4 -39.9 50.2 8.0 -23.2 824 288 B W H <4 S+ 0 0 4 -3,-1.3 3,-0.3 -4,-0.1 -2,-0.2 0.821 130.9 35.8 -90.5 -42.2 47.2 8.3 -25.4 825 289 B L H < S+ 0 0 12 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.643 115.8 48.9-101.5 -18.1 44.3 6.9 -23.4 826 290 B S S < S+ 0 0 23 -4,-2.8 -30,-0.3 -5,-0.4 -1,-0.2 0.108 87.8 115.4-100.1 20.5 45.2 8.0 -19.8 827 291 B G S S- 0 0 1 -3,-0.3 -31,-3.3 1,-0.2 2,-0.2 0.287 80.4 -52.9 -70.1-152.1 45.9 11.6 -20.7 828 292 B F B > -v 796 0X 5 -33,-0.2 3,-2.3 9,-0.1 4,-0.3 -0.545 58.2-107.0 -83.1 152.6 43.9 14.6 -19.6 829 293 B R T 3 S+ 0 0 123 -31,-2.2 3,-0.2 -33,-0.5 -30,-0.2 0.719 118.3 44.7 -56.7 -16.6 40.2 14.4 -20.1 830 294 B D T 3> + 0 0 2 -32,-0.4 4,-1.5 1,-0.2 3,-0.5 0.022 69.3 116.9-120.7 21.7 40.4 16.9 -23.0 831 295 B L T <4 S+ 0 0 5 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.1 0.877 94.2 30.8 -53.6 -38.1 43.4 15.6 -24.9 832 296 B L T 4 S+ 0 0 30 -4,-0.3 198,-2.1 -3,-0.2 199,-0.3 0.370 119.1 52.6-106.2 1.9 41.0 15.0 -27.8 833 297 B L T 4 S+ 0 0 107 -3,-0.5 2,-0.4 1,-0.2 -2,-0.2 0.548 105.1 52.4-107.0 -13.8 38.4 17.9 -27.2 834 298 B N X - 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