==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-OCT-10 3P6N . COMPND 2 MOLECULE: CAMPHOR 5-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR Y.-T.LEE,R.F.WILSON,E.C GLAZER,D.B.GOODIN . 404 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 7.9 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 . 2 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 . 12 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 0 3 0 0 2 0 2 2 1 0 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 11 A L 0 0 138 0, 0.0 47,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 109.7 24.1 -34.4 -31.9 2 12 A A - 0 0 26 45,-2.9 49,-0.0 1,-0.1 46,-0.0 -0.278 360.0 -88.5 -61.3 145.2 22.9 -32.4 -34.9 3 13 A P - 0 0 118 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.302 48.2-107.3 -57.5 133.0 25.6 -30.9 -37.1 4 14 A L - 0 0 50 -3,-0.1 43,-0.0 1,-0.1 6,-0.0 -0.447 34.1-121.6 -62.7 121.7 26.7 -27.4 -35.8 5 15 A P > - 0 0 31 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.430 20.5-118.2 -64.8 142.8 25.4 -24.7 -38.1 6 16 A P T 3 S+ 0 0 141 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.738 111.2 58.7 -51.9 -29.6 28.2 -22.5 -39.6 7 17 A H T 3 S+ 0 0 48 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.641 86.8 87.8 -80.8 -13.6 26.8 -19.4 -38.0 8 18 A V S < S- 0 0 6 -3,-2.0 2,-0.1 292,-0.1 5,-0.1 -0.771 76.8-134.2 -90.5 117.7 27.1 -20.8 -34.4 9 19 A P > - 0 0 50 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.376 14.2-122.3 -73.6 148.9 30.5 -20.1 -32.8 10 20 A E G > S+ 0 0 132 1,-0.3 3,-1.8 2,-0.2 -2,-0.0 0.827 105.9 63.6 -55.6 -40.2 32.2 -23.0 -30.9 11 21 A H G 3 S+ 0 0 138 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.603 99.2 56.2 -67.9 -11.1 32.5 -21.2 -27.6 12 22 A L G < S+ 0 0 10 -3,-1.6 33,-2.7 32,-0.1 2,-0.5 0.436 79.5 114.8 -96.6 -1.9 28.7 -21.1 -27.3 13 23 A V B < +a 45 0A 22 -3,-1.8 2,-0.4 -4,-0.2 33,-0.2 -0.602 27.0 156.8 -83.4 119.1 28.1 -24.8 -27.6 14 24 A F - 0 0 57 31,-2.7 2,-2.4 -2,-0.5 30,-0.1 -0.932 35.4-142.5-138.9 110.1 26.7 -26.6 -24.6 15 25 A D + 0 0 64 -2,-0.4 2,-0.3 31,-0.2 31,-0.1 -0.358 32.6 168.8 -83.1 64.0 25.0 -29.9 -25.4 16 26 A F - 0 0 16 -2,-2.4 2,-0.7 32,-0.1 32,-0.3 -0.601 25.1-149.7 -73.2 131.7 22.1 -29.7 -22.9 17 27 A D > - 0 0 48 -2,-0.3 3,-1.5 3,-0.1 -2,-0.1 -0.871 6.1-166.0-105.4 102.2 19.4 -32.3 -23.5 18 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.685 89.7 47.7 -63.8 -17.3 16.1 -30.9 -22.3 19 29 A Y T 3 S+ 0 0 81 1,-0.2 364,-0.4 -3,-0.1 -1,-0.3 0.532 130.8 16.3 -98.9 -9.3 14.4 -34.3 -22.4 20 30 A N S < S- 0 0 105 -3,-1.5 -1,-0.2 362,-0.1 -2,-0.2 -0.288 77.6-174.4-157.6 63.7 17.2 -36.1 -20.6 21 31 A P > - 0 0 3 0, 0.0 3,-1.3 0, 0.0 11,-0.1 -0.311 36.8-101.3 -68.1 146.9 19.5 -33.7 -18.7 22 32 A S T 3 S+ 0 0 89 1,-0.3 -2,-0.0 9,-0.1 -5,-0.0 -0.387 108.1 22.4 -66.1 144.6 22.6 -35.3 -17.1 23 33 A N T > S+ 0 0 109 -3,-0.1 3,-1.6 1,-0.1 -1,-0.3 0.752 73.2 145.5 68.6 22.6 22.1 -35.7 -13.3 24 34 A L G X + 0 0 28 -3,-1.3 3,-2.5 1,-0.3 357,-0.2 0.851 63.6 72.1 -50.5 -37.9 18.3 -35.6 -13.6 25 35 A S G 3 S+ 0 0 119 1,-0.3 -1,-0.3 355,-0.1 3,-0.1 0.735 90.8 59.1 -52.1 -26.0 18.4 -38.2 -10.7 26 36 A A G < S- 0 0 66 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.308 131.1 -63.6 -88.7 5.9 19.4 -35.2 -8.5 27 37 A G <> - 0 0 9 -3,-2.5 4,-2.1 3,-0.1 -1,-0.3 0.043 40.8-114.6 117.2 135.2 16.3 -33.2 -9.2 28 38 A V H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.907 114.6 49.8 -70.0 -40.5 15.0 -31.7 -12.4 29 39 A Q H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.922 112.4 49.8 -62.5 -43.6 15.3 -28.0 -11.4 30 40 A E H > S+ 0 0 70 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.880 108.1 54.0 -57.7 -41.9 18.9 -28.7 -10.3 31 41 A A H >< S+ 0 0 2 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.878 112.6 42.5 -63.7 -38.5 19.6 -30.5 -13.6 32 42 A W H >< S+ 0 0 0 -4,-2.0 3,-2.1 1,-0.2 -1,-0.2 0.841 102.0 69.4 -74.8 -33.3 18.5 -27.4 -15.6 33 43 A A H >< S+ 0 0 23 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.617 77.0 80.8 -65.6 -11.0 20.3 -25.0 -13.2 34 44 A V G X< S+ 0 0 41 -3,-0.6 3,-1.5 -4,-0.5 -1,-0.3 0.755 81.2 68.6 -61.1 -23.4 23.7 -26.3 -14.5 35 45 A L G < S+ 0 0 5 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.583 95.9 55.5 -70.8 -7.8 23.0 -23.9 -17.4 36 46 A Q G < S+ 0 0 23 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.211 76.1 123.3-111.6 11.3 23.5 -21.1 -14.8 37 47 A E S X S- 0 0 107 -3,-1.5 3,-2.2 1,-0.1 -3,-0.0 -0.381 78.2-104.5 -69.7 154.8 27.0 -22.1 -13.6 38 48 A S T 3 S+ 0 0 125 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.687 117.1 56.1 -64.4 -22.9 29.5 -19.3 -14.0 39 49 A N T 3 S+ 0 0 108 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.365 88.9 96.0 -85.2 1.5 31.3 -20.7 -17.1 40 50 A V S < S- 0 0 13 -3,-2.2 -28,-0.1 -6,-0.1 4,-0.1 -0.847 74.5-129.8 -99.3 123.8 28.0 -20.9 -19.0 41 51 A P - 0 0 37 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.149 24.7-109.9 -60.9 163.0 27.2 -17.9 -21.3 42 52 A D S S+ 0 0 50 1,-0.2 14,-2.8 256,-0.1 15,-0.6 0.698 109.5 33.7 -66.5 -25.4 23.8 -16.2 -21.1 43 53 A L E S+ B 0 55A 6 12,-0.2 2,-0.3 13,-0.1 12,-0.2 -0.976 77.3 173.9-139.1 119.4 22.9 -17.7 -24.5 44 54 A V E - B 0 54A 0 10,-2.6 10,-2.7 -2,-0.4 2,-0.5 -0.825 25.4-131.8-123.7 162.3 24.1 -21.1 -25.6 45 55 A W E -aB 13 53A 10 -33,-2.7 -31,-2.7 -2,-0.3 2,-0.4 -0.971 17.6-162.9-113.7 128.6 23.6 -23.6 -28.5 46 56 A T E - B 0 52A 0 6,-2.6 6,-2.0 -2,-0.5 -31,-0.2 -0.923 15.2-154.6-105.9 140.5 22.9 -27.2 -27.9 47 57 A R > + 0 0 71 -2,-0.4 -45,-2.9 4,-0.2 3,-0.6 0.533 66.1 105.9 -87.0 -5.2 23.3 -29.8 -30.7 48 58 A C G > S+ 0 0 16 -32,-0.3 3,-2.2 -47,-0.2 -2,-0.1 -0.306 78.0 15.7 -69.1 155.1 20.7 -32.0 -28.9 49 59 A N G 3 S- 0 0 52 1,-0.3 31,-0.3 2,-0.1 -1,-0.2 0.799 142.1 -43.3 55.2 38.8 17.2 -32.5 -30.2 50 60 A G G < S- 0 0 64 -3,-0.6 -1,-0.3 29,-0.1 -2,-0.2 0.184 104.7 -75.8 94.5 -14.6 17.9 -31.1 -33.7 51 61 A G < + 0 0 3 -3,-2.2 256,-0.3 1,-0.1 2,-0.3 0.428 64.0 164.0 92.8 126.6 19.9 -28.1 -32.4 52 62 A H E -B 46 0A 0 -6,-2.0 -6,-2.6 254,-0.1 256,-0.2 -0.974 36.3-100.6-164.9 158.0 18.6 -25.0 -30.8 53 63 A W E -Bc 45 308A 0 254,-2.9 256,-3.3 -2,-0.3 2,-0.3 -0.489 28.4-158.2 -75.3 156.3 19.5 -21.9 -28.8 54 64 A I E -Bc 44 309A 0 -10,-2.7 -10,-2.6 254,-0.2 2,-0.5 -0.964 8.8-148.9-134.2 123.8 18.9 -21.8 -25.0 55 65 A A E -B 43 0A 0 254,-2.1 -12,-0.2 -2,-0.3 259,-0.1 -0.798 15.2-171.7 -85.2 128.5 18.6 -18.5 -23.1 56 66 A T + 0 0 0 -14,-2.8 2,-0.3 -2,-0.5 -13,-0.1 0.515 55.0 64.1-105.3 -8.0 19.9 -19.4 -19.6 57 67 A R S >> S- 0 0 14 -15,-0.6 4,-2.4 1,-0.1 3,-0.7 -0.938 78.3-121.5-127.5 146.3 19.2 -16.2 -17.6 58 68 A G H 3> S+ 0 0 0 -2,-0.3 4,-2.9 257,-0.3 5,-0.3 0.841 108.7 59.6 -51.3 -42.4 16.0 -14.4 -16.6 59 69 A Q H 3> S+ 0 0 111 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 112.4 37.1 -57.2 -46.2 17.0 -11.1 -18.3 60 70 A L H <> S+ 0 0 0 -3,-0.7 4,-2.7 2,-0.2 5,-0.2 0.863 114.8 55.1 -74.7 -38.9 17.2 -12.8 -21.8 61 71 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.951 112.0 44.1 -58.4 -50.4 14.3 -15.1 -21.2 62 72 A R H X S+ 0 0 59 -4,-2.9 4,-1.6 -5,-0.2 -2,-0.2 0.935 113.4 50.6 -59.3 -48.3 12.1 -12.1 -20.4 63 73 A E H X S+ 0 0 67 -4,-2.0 4,-1.4 -5,-0.3 3,-0.2 0.908 110.4 48.4 -59.0 -45.2 13.4 -10.0 -23.2 64 74 A A H < S+ 0 0 0 -4,-2.7 7,-0.2 1,-0.2 -1,-0.2 0.893 109.4 53.0 -63.4 -39.6 12.8 -12.7 -25.9 65 75 A Y H < S+ 0 0 3 -4,-2.0 279,-0.6 1,-0.2 -1,-0.2 0.793 110.4 49.3 -65.8 -28.4 9.2 -13.3 -24.6 66 76 A E H < S+ 0 0 108 -4,-1.6 2,-1.4 -3,-0.2 -1,-0.2 0.796 99.6 69.3 -74.6 -31.8 8.6 -9.6 -25.0 67 77 A D >X + 0 0 36 -4,-1.4 4,-2.6 1,-0.2 3,-0.8 -0.554 52.1 157.2 -96.4 72.0 9.9 -9.5 -28.5 68 78 A Y T 34 + 0 0 54 -2,-1.4 -1,-0.2 1,-0.2 5,-0.1 0.734 67.6 69.5 -68.6 -22.6 7.3 -11.4 -30.5 69 79 A R T 34 S+ 0 0 176 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.881 116.6 22.2 -64.0 -37.4 8.4 -9.7 -33.7 70 80 A H T <4 S+ 0 0 48 -3,-0.8 222,-2.1 1,-0.2 2,-0.8 0.767 126.0 52.2 -94.5 -33.8 11.7 -11.5 -33.7 71 81 A F E < S-D 291 0A 0 -4,-2.6 220,-0.2 -7,-0.2 -1,-0.2 -0.832 80.0-164.1-115.1 93.4 10.8 -14.5 -31.5 72 82 A S E > -D 290 0A 7 218,-2.7 218,-2.1 -2,-0.8 3,-0.6 -0.499 26.2-147.5 -86.7 145.0 7.6 -16.1 -33.0 73 83 A S T 3 S+ 0 0 1 -2,-0.2 -1,-0.1 1,-0.2 4,-0.1 0.391 77.1 100.6 -83.5 2.3 5.2 -18.6 -31.4 74 84 A E T 3 S+ 0 0 133 1,-0.3 -1,-0.2 216,-0.2 215,-0.1 0.870 98.6 22.5 -57.9 -36.3 4.5 -20.2 -34.8 75 85 A C S < S+ 0 0 3 -3,-0.6 -1,-0.3 1,-0.1 9,-0.2 -0.731 77.4 158.0-129.7 81.0 7.0 -23.0 -33.8 76 86 A P + 0 0 3 0, 0.0 212,-2.0 0, 0.0 2,-0.4 0.513 47.5 73.3 -90.7 -4.7 7.1 -23.0 -30.0 77 87 A F S S- 0 0 26 3,-0.2 6,-0.6 210,-0.2 7,-0.1 -0.857 74.4-110.6-115.9 148.1 8.3 -26.6 -29.3 78 88 A I S S+ 0 0 5 -2,-0.4 2,-0.1 4,-0.1 307,-0.1 -0.938 95.6 55.5-103.2 133.4 11.5 -28.5 -29.5 79 89 A P S >> S- 0 0 42 0, 0.0 4,-1.9 0, 0.0 3,-1.1 0.520 87.7-132.3 -79.6 162.1 11.9 -30.7 -31.5 80 90 A R H 3> S+ 0 0 90 -31,-0.3 4,-2.8 1,-0.3 5,-0.2 0.850 102.7 61.2 -47.4 -45.4 11.0 -28.7 -34.6 81 91 A E H 3> S+ 0 0 146 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.862 107.7 44.0 -56.1 -39.5 8.6 -31.4 -35.9 82 92 A A H <> S+ 0 0 17 -3,-1.1 4,-1.4 2,-0.2 -1,-0.2 0.919 112.9 51.5 -68.8 -44.7 6.4 -31.1 -32.8 83 93 A G H < S+ 0 0 0 -4,-1.9 -2,-0.2 -6,-0.6 -1,-0.2 0.882 110.6 49.6 -58.0 -40.5 6.5 -27.2 -33.0 84 94 A E H < S+ 0 0 131 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.914 111.7 46.2 -67.5 -44.3 5.5 -27.3 -36.6 85 95 A A H < S+ 0 0 29 -4,-1.7 2,-0.3 -5,-0.2 -1,-0.2 0.708 90.4 102.8 -69.0 -22.7 2.5 -29.6 -36.1 86 96 A Y < + 0 0 18 -4,-1.4 -9,-0.1 1,-0.1 98,-0.0 -0.484 34.7 159.4 -74.2 124.1 1.3 -27.7 -33.1 87 97 A D + 0 0 39 -2,-0.3 -1,-0.1 -12,-0.1 5,-0.1 0.154 17.6 143.7-133.1 20.0 -1.7 -25.4 -33.9 88 98 A F > - 0 0 2 3,-0.1 4,-2.0 145,-0.1 143,-0.2 -0.259 51.9 -92.0 -60.4 149.0 -3.4 -24.7 -30.6 89 99 A I T 4 S- 0 0 0 141,-1.7 145,-0.3 1,-0.3 146,-0.2 -0.946 97.0 -0.7-114.3 133.4 -4.9 -21.2 -30.0 90 100 A P T >4 S+ 0 0 9 0, 0.0 3,-1.9 0, 0.0 -1,-0.3 -0.977 121.9 67.6 -96.6 7.4 -3.6 -18.9 -28.8 91 101 A T T 34 S+ 0 0 32 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.645 103.6 45.6 -66.6 -18.9 -0.2 -20.5 -28.1 92 102 A S T 3< S+ 0 0 9 -4,-2.0 2,-0.3 -5,-0.1 -1,-0.3 0.273 102.2 87.8-101.9 10.8 0.8 -21.0 -31.8 93 103 A M < - 0 0 13 -3,-1.9 -5,-0.0 -5,-0.1 -6,-0.0 -0.804 63.4-146.0-114.3 147.0 -0.2 -17.4 -32.7 94 104 A D > - 0 0 41 -2,-0.3 4,-2.1 -22,-0.1 3,-0.4 -0.765 37.4 -71.1-102.6 154.6 1.6 -14.1 -32.5 95 105 A P T 4 S+ 0 0 7 0, 0.0 -1,-0.0 0, 0.0 249,-0.0 -0.462 109.2 43.5 -60.8 153.8 0.3 -10.7 -31.8 96 106 A P T >4 S+ 0 0 86 0, 0.0 3,-0.8 0, 0.0 4,-0.5 -0.965 126.4 36.5 -79.0 -20.5 -1.5 -8.8 -33.2 97 107 A E T >> S+ 0 0 92 -3,-0.4 4,-0.8 1,-0.2 3,-0.6 0.880 113.4 60.4 -59.9 -39.2 -3.8 -11.7 -34.3 98 108 A Q H >X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.2 3,-0.6 0.839 86.1 77.8 -55.5 -36.4 -3.4 -13.5 -30.9 99 109 A R H <> S+ 0 0 141 -3,-0.8 4,-1.9 1,-0.3 -1,-0.2 0.831 97.0 40.1 -49.3 -48.9 -4.8 -10.6 -28.8 100 110 A Q H <> S+ 0 0 94 -3,-0.6 4,-1.6 -4,-0.5 -1,-0.3 0.795 113.8 52.9 -77.5 -26.8 -8.5 -11.1 -29.5 101 111 A F H X S+ 0 0 4 -4,-1.6 3,-0.8 2,-0.2 4,-0.6 0.941 111.4 48.8 -68.1 -45.9 -12.0 -14.8 -25.7 105 115 A A H >X S+ 0 0 1 -4,-2.5 3,-1.3 1,-0.2 4,-1.2 0.880 104.9 61.1 -58.3 -37.9 -10.1 -17.5 -23.8 106 116 A N H 3X S+ 0 0 74 -4,-2.4 4,-2.3 1,-0.3 -1,-0.2 0.813 93.8 64.0 -61.9 -28.3 -9.8 -15.1 -20.8 107 117 A Q H << S+ 0 0 120 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.779 108.7 39.7 -63.1 -28.8 -13.7 -15.0 -20.6 108 118 A V H << S+ 0 0 7 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.683 130.6 22.9-101.0 -18.2 -13.7 -18.7 -19.7 109 119 A V H < S+ 0 0 16 -4,-1.2 243,-0.4 100,-0.1 -2,-0.2 0.461 93.8 117.7-123.4 -5.9 -10.7 -19.0 -17.4 110 120 A G S X S- 0 0 1 -4,-2.3 4,-1.7 -5,-0.3 3,-0.5 0.127 79.8 -82.4 -65.1 179.5 -10.2 -15.5 -16.0 111 121 A M H > S+ 0 0 85 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.800 123.6 52.2 -56.8 -44.6 -10.3 -14.1 -12.5 112 122 A P H > S+ 0 0 104 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.904 111.0 49.5 -61.4 -38.3 -14.1 -13.6 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51.1 -63.0 -45.1 -12.5 -26.9 -2.4 123 133 A E H X S+ 0 0 97 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.885 111.5 48.2 -63.4 -37.6 -15.3 -29.5 -2.4 124 134 A L H X S+ 0 0 30 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.928 111.1 49.7 -65.9 -46.8 -13.4 -31.6 -5.0 125 135 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.932 111.9 50.1 -57.7 -45.8 -10.1 -31.3 -3.0 126 136 A C H X S+ 0 0 19 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.905 108.8 50.0 -58.6 -46.4 -11.8 -32.4 0.2 127 137 A S H X S+ 0 0 70 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.919 113.1 46.5 -64.7 -41.3 -13.5 -35.4 -1.4 128 138 A L H X S+ 0 0 22 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.948 115.0 46.3 -62.3 -47.8 -10.2 -36.7 -2.8 129 139 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 3,-0.4 0.906 110.8 51.6 -64.5 -41.7 -8.3 -36.1 0.4 130 140 A E H < S+ 0 0 69 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.866 106.0 56.3 -64.5 -33.7 -11.0 -37.7 2.6 131 141 A S H < S+ 0 0 66 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.855 117.0 35.0 -64.6 -33.0 -10.9 -40.8 0.3 132 142 A L H >X S+ 0 0 9 -4,-1.3 3,-1.9 -3,-0.4 4,-0.6 0.801 97.6 85.4 -87.8 -34.2 -7.2 -41.2 0.9 133 143 A R G >< S+ 0 0 36 -4,-2.6 3,-0.9 1,-0.3 -2,-0.1 0.793 89.5 43.4 -46.9 -50.1 -6.9 -40.0 4.5 134 144 A P G 34 S+ 0 0 69 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.638 101.0 72.6 -79.2 -6.4 -7.7 -43.2 6.5 135 145 A Q G <4 S- 0 0 122 -3,-1.9 -2,-0.2 2,-0.1 -3,-0.1 0.740 89.1-141.9 -74.0 -25.3 -5.5 -45.4 4.2 136 146 A G S << S+ 0 0 9 -3,-0.9 260,-2.3 -4,-0.6 2,-0.3 0.555 73.5 52.6 72.6 9.0 -2.2 -44.0 5.5 137 147 A Q E +F 395 0B 128 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.980 52.7 157.4-163.7 156.0 -0.7 -44.0 2.1 138 148 A C E -F 394 0B 11 256,-1.8 256,-2.9 -2,-0.3 2,-0.8 -0.956 46.3-112.4-163.0 165.8 -1.1 -43.0 -1.6 139 149 A N E > -F 393 0B 46 -2,-0.3 4,-3.4 254,-0.2 5,-0.4 -0.949 36.9-158.7 -96.9 102.5 0.8 -42.3 -4.7 140 150 A F H >>S+ 0 0 0 252,-2.9 5,-2.6 -2,-0.8 4,-2.1 0.871 85.5 52.2 -53.2 -44.1 0.0 -38.5 -4.6 141 151 A T H 4>S+ 0 0 7 1,-0.2 5,-2.2 3,-0.2 -1,-0.2 0.929 120.5 32.8 -60.2 -47.4 0.6 -38.0 -8.3 142 152 A E H 45S+ 0 0 110 -3,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.869 125.4 39.8 -75.3 -37.7 -1.8 -40.8 -9.3 143 153 A D H <5S+ 0 0 60 -4,-3.4 -3,-0.2 3,-0.1 -2,-0.2 0.683 133.5 7.4 -97.1 -21.8 -4.4 -40.6 -6.5 144 154 A Y T X5S+ 0 0 0 -4,-2.1 4,-1.1 -5,-0.4 -3,-0.2 0.655 125.6 48.0-122.1 -52.6 -4.8 -36.8 -6.0 145 155 A A T 4 S+ 0 0 25 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.716 104.8 68.7 -71.0 -18.9 -7.8 -36.7 -11.0 148 158 A F H X S+ 0 0 0 -4,-1.1 4,-1.6 -3,-0.4 3,-0.2 0.977 99.3 35.1 -77.0 -59.5 -8.0 -33.1 -9.8 149 159 A P H > S+ 0 0 5 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.852 114.3 56.7 -70.8 -31.0 -7.5 -30.7 -12.7 150 160 A I H X S+ 0 0 3 -4,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.893 107.7 50.9 -59.8 -38.9 -9.3 -32.8 -15.3 151 161 A R H X S+ 0 0 80 -4,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.870 108.2 50.9 -66.8 -36.2 -12.3 -32.7 -13.0 152 162 A I H X S+ 0 0 5 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.926 109.3 51.9 -65.7 -43.7 -12.1 -28.9 -12.7 153 163 A F H X S+ 0 0 14 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.913 105.0 54.7 -60.1 -43.7 -12.0 -28.7 -16.5 154 164 A M H X>S+ 0 0 8 -4,-2.2 5,-2.0 1,-0.2 4,-0.7 0.887 109.5 48.4 -55.3 -43.3 -15.1 -30.9 -16.9 155 165 A L H ><5S+ 0 0 64 -4,-1.5 3,-0.8 2,-0.2 -1,-0.2 0.940 113.9 45.8 -60.6 -52.1 -17.0 -28.5 -14.6 156 166 A L H 3<5S+ 0 0 23 -4,-2.4 53,-2.1 1,-0.2 -2,-0.2 0.912 120.2 39.7 -52.7 -48.3 -15.7 -25.5 -16.6 157 167 A A H 3<5S- 0 0 0 -4,-3.1 53,-0.3 51,-0.2 -1,-0.2 0.367 104.8-122.3 -91.8 1.2 -16.5 -27.0 -20.0 158 168 A G T <<5 + 0 0 39 -3,-0.8 -3,-0.2 -4,-0.7 -4,-0.1 0.883 57.8 153.8 55.0 42.1 -19.9 -28.7 -19.1 159 169 A L < - 0 0 13 -5,-2.0 -1,-0.2 -6,-0.2 2,-0.2 -0.738 49.7 -99.7 -97.5 148.9 -18.5 -32.1 -20.1 160 170 A P > - 0 0 52 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.482 19.7-129.0 -75.0 141.3 -20.0 -35.3 -18.5 161 171 A E G > S+ 0 0 133 1,-0.3 3,-1.6 2,-0.2 -7,-0.0 0.803 107.9 64.8 -51.3 -36.1 -18.1 -37.0 -15.7 162 172 A E G 3 S+ 0 0 154 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.680 92.9 63.1 -65.2 -16.5 -18.3 -40.3 -17.5 163 173 A D G <> S+ 0 0 45 -3,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.592 77.9 92.9 -79.6 -11.9 -16.1 -38.8 -20.3 164 174 A I H <> S+ 0 0 9 -3,-1.6 4,-2.8 -4,-0.3 5,-0.3 0.903 81.7 48.0 -54.4 -52.2 -13.2 -38.4 -17.9 165 175 A P H > S+ 0 0 96 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.897 115.0 46.2 -60.7 -39.0 -11.3 -41.7 -18.5 166 176 A H H > S+ 0 0 93 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.913 114.4 47.1 -65.7 -42.6 -11.5 -41.3 -22.2 167 177 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.874 111.0 52.0 -69.2 -38.9 -10.4 -37.7 -22.2 168 178 A K H X S+ 0 0 43 -4,-2.8 4,-2.5 -5,-0.3 5,-0.2 0.893 109.5 51.2 -57.2 -44.5 -7.5 -38.5 -19.8 169 179 A Y H X S+ 0 0 133 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.937 111.7 46.3 -59.3 -47.0 -6.5 -41.3 -22.2 170 180 A L H X S+ 0 0 8 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.905 115.2 45.0 -67.3 -40.7 -6.5 -38.8 -25.2 171 181 A T H >X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 3,-0.8 0.929 111.3 51.7 -71.7 -43.2 -4.6 -36.1 -23.3 172 182 A D H 3X S+ 0 0 38 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.874 104.1 60.7 -54.7 -41.5 -2.0 -38.5 -21.8 173 183 A Q H 3< S+ 0 0 47 -4,-1.9 -1,-0.2 -5,-0.2 5,-0.2 0.806 112.8 37.3 -53.5 -36.2 -1.4 -39.8 -25.4 174 184 A M H << S+ 0 0 14 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.856 124.1 34.5 -86.6 -41.9 -0.3 -36.3 -26.5 175 185 A T H < S+ 0 0 52 -4,-2.3 211,-0.2 1,-0.2 -3,-0.2 0.607 120.3 44.0-101.7 -14.2 1.6 -35.0 -23.5 176 186 A R S < S- 0 0 63 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.1 -0.531 83.8-172.1-121.8 64.9 3.3 -38.1 -22.2 177 187 A P - 0 0 91 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.289 21.2-171.2 -65.9 140.3 4.5 -39.6 -25.5 178 188 A D - 0 0 131 -5,-0.2 -5,-0.0 3,-0.1 0, 0.0 0.338 54.6-102.2-106.7 0.3 5.9 -43.1 -25.5 179 189 A G S S+ 0 0 70 2,-0.3 3,-0.1 0, 0.0 0, 0.0 0.315 96.1 110.9 95.9 -4.8 7.0 -42.9 -29.2 180 190 A S S S+ 0 0 86 1,-0.1 2,-0.3 2,-0.0 0, 0.0 0.686 83.7 24.7 -76.2 -20.8 4.2 -45.0 -30.5 181 191 A M S S- 0 0 48 -8,-0.1 -2,-0.3 -7,-0.0 -1,-0.1 -0.999 81.6-113.5-145.3 148.2 2.6 -42.0 -32.2 182 192 A T > - 0 0 66 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.271 36.0-109.6 -67.0 160.9 3.7 -38.6 -33.6 183 193 A F H > S+ 0 0 46 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.927 120.9 56.8 -54.4 -44.6 2.4 -35.5 -31.9 184 194 A A H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.895 106.3 48.6 -54.9 -45.2 0.3 -34.8 -35.0 185 195 A E H > S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.903 112.6 47.5 -63.0 -43.0 -1.4 -38.2 -34.6 186 196 A A H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.897 110.7 52.5 -65.1 -40.7 -2.2 -37.6 -30.9 187 197 A K H X S+ 0 0 16 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.917 108.7 50.0 -62.5 -43.5 -3.5 -34.2 -31.7 188 198 A E H X S+ 0 0 94 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.917 107.6 52.9 -63.3 -43.6 -5.9 -35.5 -34.3 189 199 A A H X S+ 0 0 26 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.879 112.0 47.0 -57.3 -40.5 -7.2 -38.2 -31.9 190 200 A L H >X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 3,-0.9 0.932 110.5 51.4 -65.6 -45.4 -7.9 -35.4 -29.4 191 201 A Y H 3X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.827 100.8 63.4 -60.3 -33.8 -9.5 -33.2 -32.1 192 202 A D H 3< S+ 0 0 103 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.788 105.1 46.3 -61.1 -32.0 -11.8 -36.2 -33.1 193 203 A Y H S+ 0 0 52 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.832 113.2 53.6 -62.1 -34.2 -18.7 -33.2 -32.6 197 207 A I H X S+ 0 0 16 -4,-0.7 4,-1.7 -3,-0.3 -2,-0.2 0.891 109.4 47.6 -70.8 -40.0 -19.1 -31.4 -29.3 198 208 A I H X S+ 0 0 4 -4,-2.3 4,-1.3 2,-0.2 5,-0.2 0.916 111.8 51.2 -60.9 -44.9 -18.2 -28.0 -30.9 199 209 A E H X S+ 0 0 131 -4,-2.1 4,-1.3 -5,-0.2 3,-0.4 0.922 111.1 48.5 -59.7 -45.6 -20.7 -28.8 -33.7 200 210 A Q H X S+ 0 0 100 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.841 112.8 47.4 -61.8 -37.3 -23.4 -29.6 -31.2 201 211 A R H < S+ 0 0 41 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.582 105.4 56.8 -92.1 -9.2 -22.8 -26.4 -29.2 202 212 A R H < S+ 0 0 88 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.758 116.4 38.3 -81.9 -30.1 -22.7 -24.1 -32.2 203 213 A Q H < S+ 0 0 145 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.920 138.0 16.7 -78.8 -51.6 -26.2 -25.5 -33.0 204 214 A K S < S- 0 0 151 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 -0.701 84.9-169.9-123.9 80.1 -27.4 -25.6 -29.4 205 215 A P - 0 0 74 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.353 5.8-175.2 -70.7 148.1 -25.1 -23.5 -27.2 206 216 A G - 0 0 43 2,-0.1 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