==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-OCT-09 3K7M . COMPND 2 MOLECULE: 6-HYDROXY-L-NICOTINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER NICOTINOVORANS; . AUTHOR G.P.BOURENKOV,G.S KACHALOVA,H.D.BARTUNIK . 425 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17028.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 36 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 25.9 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 0 0 1 0 2 1 2 1 1 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 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 0 0 PARALLEL BRIDGES PER LADDER . 3 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 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 1 X M 0 0 103 0, 0.0 2,-0.2 0, 0.0 247,-0.2 0.000 360.0 360.0 360.0 155.1 -21.8 49.5 61.0 2 2 X Y E -a 248 0A 27 245,-2.4 247,-1.8 1,-0.1 248,-0.2 -0.688 360.0-129.9-125.7 155.4 -22.7 47.3 63.8 3 3 X D E S+ 0 0 58 23,-1.7 247,-1.4 1,-0.3 2,-0.4 0.889 100.9 8.1 -63.0 -45.0 -21.3 45.3 66.7 4 4 X A E -ab 250 27A 1 22,-1.9 24,-2.1 245,-0.2 2,-0.5 -0.997 58.0-158.3-143.1 134.7 -23.3 42.3 65.5 5 5 X I E -ab 251 28A 0 245,-2.4 247,-2.7 -2,-0.4 2,-0.5 -0.977 15.8-158.0-103.3 124.3 -25.4 41.4 62.6 6 6 X V E -ab 252 29A 0 22,-2.8 24,-2.8 -2,-0.5 2,-0.6 -0.902 4.9-153.4 -98.3 123.7 -27.9 38.6 63.3 7 7 X V E +ab 253 30A 5 245,-3.0 247,-2.5 -2,-0.5 24,-0.2 -0.883 63.8 25.5-102.1 114.1 -29.1 36.7 60.2 8 8 X G - 0 0 6 22,-3.0 23,-0.2 -2,-0.6 22,-0.1 0.288 64.2-134.7 102.8 128.1 -32.5 35.2 60.6 9 9 X G + 0 0 0 26,-0.2 28,-2.7 4,-0.2 29,-0.2 -0.251 59.6 120.1-115.2 42.9 -35.4 36.1 62.9 10 10 X G B > S-i 37 0B 16 244,-0.5 4,-2.9 26,-0.2 5,-0.2 -0.215 89.8 -75.6 -75.3-173.3 -36.5 32.9 64.3 11 11 X F H > S+ 0 0 9 26,-0.5 4,-2.6 1,-0.2 5,-0.2 0.843 134.4 52.9 -59.4 -35.5 -36.4 32.4 68.1 12 12 X S H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.965 113.3 40.5 -61.5 -55.2 -32.7 31.9 67.9 13 13 X G H > S+ 0 0 0 241,-0.4 4,-2.7 1,-0.2 5,-0.2 0.885 115.1 54.2 -62.6 -39.9 -32.0 35.1 66.0 14 14 X L H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.932 110.6 44.0 -62.1 -49.9 -34.6 37.0 68.1 15 15 X K H X S+ 0 0 19 -4,-2.6 4,-3.1 -5,-0.2 5,-0.3 0.953 114.9 48.9 -58.5 -51.7 -33.0 36.0 71.4 16 16 X A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.935 114.7 44.4 -55.7 -50.7 -29.5 36.7 70.3 17 17 X A H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.897 116.2 46.5 -63.7 -42.5 -30.4 40.1 68.9 18 18 X R H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.940 115.0 46.1 -61.3 -47.5 -32.5 41.1 71.9 19 19 X D H X S+ 0 0 32 -4,-3.1 4,-1.2 -5,-0.2 -2,-0.2 0.888 112.5 48.4 -72.4 -39.3 -29.9 39.9 74.4 20 20 X L H <>S+ 0 0 0 -4,-2.5 5,-2.5 -5,-0.3 -1,-0.2 0.895 110.7 53.7 -64.3 -40.9 -26.9 41.6 72.7 21 21 X T H ><5S+ 0 0 29 -4,-1.8 3,-1.8 -5,-0.3 -2,-0.2 0.920 108.1 48.3 -54.9 -46.7 -29.0 44.8 72.5 22 22 X N H 3<5S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.721 103.3 62.1 -75.5 -17.5 -29.7 44.7 76.2 23 23 X A T 3<5S- 0 0 49 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.350 127.1-102.1 -81.3 3.1 -26.0 44.1 76.8 24 24 X G T < 5S+ 0 0 66 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.656 75.9 140.6 88.1 17.9 -25.5 47.5 75.2 25 25 X K < - 0 0 82 -5,-2.5 2,-0.8 -6,-0.1 -1,-0.3 -0.590 57.4-117.0 -90.7 155.2 -24.3 46.2 71.8 26 26 X K - 0 0 101 -2,-0.2 -22,-1.9 2,-0.0 -23,-1.7 -0.837 45.8-178.2 -93.5 111.0 -25.3 47.8 68.5 27 27 X V E -b 4 0A 5 -2,-0.8 2,-0.4 -24,-0.2 192,-0.3 -0.876 24.0-164.8-121.1 140.2 -27.2 45.1 66.6 28 28 X L E -b 5 0A 0 -24,-2.1 -22,-2.8 -2,-0.4 2,-0.6 -0.991 10.6-154.5-118.2 132.4 -28.9 44.6 63.3 29 29 X L E -bc 6 220A 0 190,-2.4 192,-2.8 -2,-0.4 2,-0.6 -0.910 7.8-164.7-105.0 116.1 -31.4 41.8 62.6 30 30 X L E -bc 7 221A 2 -24,-2.8 -22,-3.0 -2,-0.6 2,-0.5 -0.897 7.2-176.3-101.5 116.3 -31.7 40.8 59.0 31 31 X E - 0 0 18 190,-2.9 193,-3.0 -2,-0.6 194,-0.1 -0.951 18.1-156.0-115.1 126.0 -34.8 38.6 58.1 32 32 X G S S+ 0 0 18 -2,-0.5 193,-0.2 191,-0.3 -1,-0.1 0.792 73.1 56.4 -67.8 -31.8 -35.3 37.2 54.6 33 33 X G S S- 0 0 12 2,-0.3 190,-3.0 191,-0.2 191,-0.3 -0.111 91.4-103.1 -96.5-168.5 -39.0 36.9 54.8 34 34 X E S S+ 0 0 153 188,-0.2 2,-0.3 189,-0.1 188,-0.1 0.295 98.7 44.1 -99.9 5.7 -42.0 39.1 55.6 35 35 X R S S- 0 0 64 6,-0.0 -2,-0.3 0, 0.0 2,-0.3 -0.962 73.1-125.0-144.4 161.1 -42.5 37.8 59.1 36 36 X L S S+ 0 0 34 -2,-0.3 -26,-0.2 1,-0.1 174,-0.1 -0.732 78.4 62.0-100.1 158.5 -40.6 36.9 62.2 37 37 X G B > -i 10 0B 2 -28,-2.7 3,-2.1 -2,-0.3 -26,-0.5 -0.010 68.6-158.3 118.1 -27.3 -40.7 33.5 64.0 38 38 X G T 3 S+ 0 0 10 1,-0.3 -28,-0.1 -3,-0.2 329,-0.0 -0.368 78.0 7.7 64.5-121.8 -39.4 31.2 61.3 39 39 X R T 3 S+ 0 0 54 -2,-0.2 18,-2.6 1,-0.1 2,-0.7 0.475 119.8 79.2 -80.5 -2.9 -40.4 27.6 61.9 40 40 X A < + 0 0 7 -3,-2.1 2,-0.4 16,-0.2 18,-0.1 -0.941 67.1 162.3 -95.0 110.0 -42.6 28.9 64.7 41 41 X Y + 0 0 51 -2,-0.7 14,-2.6 16,-0.2 15,-0.5 -0.831 18.2 179.8-143.8 87.4 -45.5 30.1 62.5 42 42 X S E +J 54 0C 19 -2,-0.4 2,-0.3 12,-0.2 12,-0.2 -0.769 24.1 141.8 -84.9 138.7 -48.9 30.8 63.9 43 43 X R E -J 53 0C 39 10,-2.4 10,-3.1 -2,-0.4 2,-0.2 -0.949 52.6 -60.1-160.4 176.3 -51.5 32.1 61.4 44 44 X E E -J 52 0C 116 -2,-0.3 8,-0.2 8,-0.2 2,-0.1 -0.497 60.0-103.8 -67.6 134.7 -55.1 31.9 60.3 45 45 X S - 0 0 8 6,-3.5 6,-0.2 3,-0.4 5,-0.2 -0.343 15.8-144.6 -51.0 130.8 -56.4 28.5 59.4 46 46 X R S S+ 0 0 147 1,-0.2 -1,-0.1 3,-0.1 310,-0.1 0.620 101.6 38.6 -66.5 -17.4 -56.8 27.9 55.6 47 47 X N S S+ 0 0 43 1,-0.2 -1,-0.2 4,-0.1 -2,-0.0 0.727 116.9 43.5-107.1 -30.3 -59.9 25.9 56.4 48 48 X V S > S- 0 0 22 3,-0.2 3,-1.9 0, 0.0 -3,-0.4 -0.873 81.2-130.9-129.4 100.1 -61.6 27.7 59.2 49 49 X P T 3 S+ 0 0 114 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.135 89.9 13.9 -53.4 133.8 -61.9 31.4 59.1 50 50 X G T 3 S+ 0 0 70 1,-0.2 2,-0.6 -5,-0.2 -6,-0.0 0.427 95.4 123.0 87.2 -0.9 -60.9 33.3 62.3 51 51 X L < - 0 0 38 -3,-1.9 -6,-3.5 -6,-0.2 2,-0.4 -0.849 53.3-144.2-101.6 119.9 -59.1 30.2 63.7 52 52 X R E +J 44 0C 113 -2,-0.6 2,-0.3 -8,-0.2 -8,-0.2 -0.691 24.8 176.6 -82.3 131.2 -55.5 30.6 64.6 53 53 X V E -J 43 0C 2 -10,-3.1 -10,-2.4 -2,-0.4 2,-0.6 -0.901 32.7-119.4-128.5 159.2 -53.3 27.5 64.1 54 54 X E E +J 42 0C 11 -2,-0.3 -12,-0.2 -12,-0.2 4,-0.1 -0.898 25.1 178.3 -96.6 117.5 -49.7 26.6 64.4 55 55 X I S S+ 0 0 2 -14,-2.6 304,-0.4 -2,-0.6 232,-0.2 0.536 73.2 25.8 -99.9 -9.1 -48.3 25.5 61.0 56 56 X G S S- 0 0 9 -15,-0.5 -16,-0.2 1,-0.2 2,-0.2 -0.149 117.0 -25.4-116.3-136.8 -44.8 24.9 62.3 57 57 X G + 0 0 36 -18,-2.6 -16,-0.2 1,-0.1 -1,-0.2 -0.530 62.3 136.7 -83.2 146.0 -43.5 24.0 65.8 58 58 X A + 0 0 6 -2,-0.2 144,-0.2 -4,-0.1 -1,-0.1 0.462 29.3 110.9-154.1 -33.1 -45.4 24.9 69.0 59 59 X Y + 0 0 43 142,-0.1 2,-0.3 140,-0.1 349,-0.2 -0.326 41.7 173.5 -66.7 136.9 -45.6 22.2 71.6 60 60 X L B -K 200 0D 0 140,-2.5 140,-2.5 348,-0.1 139,-0.8 -0.922 27.8-155.9-137.5 162.5 -43.6 22.8 74.8 61 61 X H >> - 0 0 30 -2,-0.3 4,-1.9 138,-0.2 3,-0.8 -0.902 13.9-149.7-140.8 113.5 -43.0 21.4 78.2 62 62 X R T 34 S+ 0 0 87 -2,-0.3 7,-0.3 1,-0.3 -1,-0.1 0.824 96.6 52.6 -54.0 -36.2 -41.8 23.8 80.8 63 63 X K T 34 S+ 0 0 145 1,-0.2 -1,-0.3 2,-0.1 134,-0.0 0.857 116.7 36.6 -73.3 -32.5 -39.8 21.2 82.7 64 64 X H T <4 S+ 0 0 9 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.663 122.5 47.9 -83.8 -16.2 -37.9 20.1 79.6 65 65 X H X + 0 0 5 -4,-1.9 4,-2.4 1,-0.1 -1,-0.2 -0.636 60.3 160.1-131.4 69.3 -37.7 23.6 78.2 66 66 X P H > S+ 0 0 72 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.846 75.5 53.5 -70.2 -36.4 -36.5 26.0 81.0 67 67 X R H > S+ 0 0 43 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.957 112.2 45.7 -60.3 -48.6 -35.3 28.8 78.7 68 68 X L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.917 111.1 52.8 -58.7 -43.9 -38.7 28.8 76.9 69 69 X A H X S+ 0 0 7 -4,-2.4 4,-2.3 -7,-0.3 -1,-0.2 0.887 107.6 52.6 -58.2 -38.7 -40.4 28.7 80.3 70 70 X A H X S+ 0 0 56 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.875 108.6 49.7 -65.9 -37.9 -38.4 31.7 81.3 71 71 X E H X S+ 0 0 8 -4,-1.9 4,-2.0 2,-0.2 6,-0.2 0.918 110.0 50.3 -66.7 -45.2 -39.4 33.6 78.2 72 72 X L H X>S+ 0 0 2 -4,-2.5 5,-2.5 1,-0.2 4,-0.7 0.936 114.1 44.5 -56.5 -49.2 -43.1 32.9 78.8 73 73 X D H ><5S+ 0 0 99 -4,-2.3 3,-0.6 3,-0.2 -2,-0.2 0.892 109.0 59.0 -63.0 -40.9 -42.8 34.0 82.4 74 74 X R H 3<5S+ 0 0 116 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.917 118.4 27.8 -52.1 -49.4 -40.8 37.1 81.3 75 75 X Y H 3<5S- 0 0 55 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.321 108.1-115.5-101.6 5.7 -43.5 38.4 79.0 76 76 X G T <<5 + 0 0 62 -4,-0.7 -3,-0.2 -3,-0.6 -4,-0.1 0.889 49.8 175.3 60.4 41.1 -46.5 36.9 80.8 77 77 X I < - 0 0 12 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.2 -0.707 24.9-131.8 -86.6 118.9 -47.4 34.8 77.8 78 78 X P - 0 0 55 0, 0.0 125,-2.0 0, 0.0 126,-0.6 -0.442 23.0-169.7 -72.6 138.5 -50.3 32.4 78.5 79 79 X T E -L 202 0D 37 123,-0.3 2,-0.3 -2,-0.2 123,-0.2 -0.835 3.0-158.6-118.9 163.9 -50.1 28.8 77.7 80 80 X A E -L 201 0D 40 121,-2.5 121,-2.6 -2,-0.3 3,-0.1 -0.951 32.5 -85.5-137.3 157.3 -52.7 26.0 77.7 81 81 X A E -L 200 0D 82 -2,-0.3 119,-0.3 119,-0.2 3,-0.1 -0.354 48.5-111.5 -55.2 135.4 -52.8 22.2 77.9 82 82 X A - 0 0 18 117,-2.1 -1,-0.1 1,-0.2 231,-0.1 -0.415 59.3 -67.3 -58.8 149.1 -52.3 20.5 74.6 83 83 X S - 0 0 48 230,-0.3 -1,-0.2 229,-0.1 2,-0.1 -0.123 60.5-119.8 -43.4 130.3 -55.5 18.8 73.5 84 84 X E - 0 0 149 -3,-0.1 2,-0.6 1,-0.0 228,-0.1 -0.460 15.1-131.3 -79.8 146.1 -56.2 15.9 75.8 85 85 X F + 0 0 56 -2,-0.1 214,-0.2 1,-0.1 15,-0.1 -0.888 44.2 144.1-101.0 121.1 -56.5 12.3 74.6 86 86 X T + 0 0 81 212,-2.9 2,-0.4 -2,-0.6 213,-0.2 0.493 59.9 55.6-130.8 -14.1 -59.5 10.4 75.8 87 87 X S E -m 299 0E 23 211,-2.5 213,-2.5 209,-0.1 2,-0.5 -0.980 69.9-154.8-127.9 119.3 -60.6 8.2 72.9 88 88 X F E +m 300 0E 36 -2,-0.4 213,-0.2 10,-0.3 211,-0.1 -0.828 21.1 168.6-108.1 126.6 -58.0 5.8 71.5 89 89 X R + 0 0 61 211,-2.7 -1,-0.1 -2,-0.5 9,-0.1 -0.455 21.9 169.6-132.7 55.8 -58.2 4.4 68.0 90 90 X H - 0 0 19 211,-0.2 2,-0.3 9,-0.1 213,-0.2 -0.204 34.2-148.4 -73.5 158.6 -54.9 2.7 67.4 91 91 X R B +r 303 0F 114 211,-2.2 213,-1.5 1,-0.1 214,-0.1 -0.694 59.6 117.2-122.7 78.2 -53.8 0.5 64.6 92 92 X L S S- 0 0 11 1,-0.4 3,-0.2 -2,-0.3 66,-0.1 0.104 80.0 -88.3-131.7 12.6 -51.4 -1.8 66.5 93 93 X G > - 0 0 47 1,-0.2 3,-1.4 2,-0.1 -1,-0.4 -0.151 52.8 -62.4 93.0 171.1 -53.1 -5.1 66.0 94 94 X P T 3 S+ 0 0 136 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.591 126.0 57.6 -73.0 -13.4 -55.8 -7.0 67.9 95 95 X T T 3 S+ 0 0 76 -3,-0.2 11,-0.1 2,-0.1 -2,-0.1 0.509 82.4 106.9 -94.8 -8.6 -53.8 -7.4 71.1 96 96 X A < - 0 0 21 -3,-1.4 2,-0.4 7,-0.1 7,-0.2 -0.350 66.7-131.9 -64.8 149.3 -53.3 -3.7 71.6 97 97 X V - 0 0 48 5,-2.0 2,-2.0 2,-0.1 -2,-0.1 -0.862 19.2-119.3-100.7 140.9 -55.2 -1.9 74.4 98 98 X D S S+ 0 0 105 -2,-0.4 -10,-0.3 -10,-0.1 2,-0.3 -0.520 76.8 98.1 -85.4 72.8 -57.0 1.3 73.6 99 99 X Q S S- 0 0 110 -2,-2.0 -2,-0.1 -12,-0.1 -9,-0.1 -0.873 91.0 -92.2-135.6-179.3 -55.3 3.6 75.9 100 100 X A S S+ 0 0 48 -2,-0.3 -14,-0.0 1,-0.3 -2,-0.0 0.843 126.6 44.0 -64.2 -34.9 -52.4 6.1 75.6 101 101 X F S S- 0 0 100 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 -0.868 78.3-179.4-106.9 94.0 -50.0 3.4 76.5 102 102 X P + 0 0 0 0, 0.0 -5,-2.0 0, 0.0 -1,-0.1 0.313 32.4 126.6 -88.8 10.4 -51.4 0.6 74.5 103 103 X I - 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0 0 2 -3,-1.7 2,-0.6 -4,-0.3 6,-0.1 -0.721 59.5-164.4 -90.5 116.3 -24.4 10.0 75.0 126 126 X D >> - 0 0 69 -2,-0.6 3,-1.2 4,-0.1 4,-0.6 -0.895 15.8-148.1 -87.2 119.6 -22.9 13.0 76.8 127 127 X L T 34 S+ 0 0 37 -2,-0.6 -1,-0.1 1,-0.2 4,-0.1 0.545 90.3 54.7 -70.3 -6.1 -24.9 15.9 75.6 128 128 X E T 34 S+ 0 0 148 1,-0.1 -1,-0.2 2,-0.1 275,-0.1 0.641 98.7 59.5 -98.3 -16.7 -22.0 18.4 75.8 129 129 X K T <4 S- 0 0 102 -3,-1.2 -2,-0.1 1,-0.1 255,-0.1 0.682 100.9-111.5 -95.0 -23.6 -19.5 16.6 73.6 130 130 X G >< - 0 0 2 -4,-0.6 3,-1.5 1,-0.1 -4,-0.1 0.191 24.0 -98.6 89.8 142.8 -21.1 16.2 70.2 131 131 X L T 3 S+ 0 0 1 1,-0.3 5,-0.4 2,-0.1 3,-0.3 0.576 120.7 57.2 -73.4 -9.5 -22.3 13.0 68.5 132 132 X E T 3 S+ 0 0 30 1,-0.2 -1,-0.3 -3,-0.1 3,-0.2 0.510 101.3 57.1 -92.5 -6.9 -19.1 12.8 66.5 133 133 X N S < S+ 0 0 91 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.047 91.9 66.0-116.6 22.2 -16.7 12.8 69.5 134 134 X Q S S- 0 0 22 -3,-0.3 -1,-0.2 246,-0.1 -2,-0.1 0.182 101.8-106.0-137.2 15.9 -17.9 9.8 71.5 135 135 X D S S+ 0 0 124 -3,-0.2 3,-0.3 245,-0.1 -3,-0.1 0.924 72.9 139.9 54.1 48.0 -17.2 6.6 69.6 136 136 X L >> + 0 0 1 -5,-0.4 3,-2.1 1,-0.2 4,-0.7 0.255 24.1 113.3-105.7 10.4 -20.9 6.3 68.9 137 137 X E G >4 + 0 0 98 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.805 67.0 65.5 -53.5 -37.4 -20.6 5.2 65.3 138 138 X D G 34 S+ 0 0 88 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.696 103.7 47.0 -62.6 -20.0 -22.0 1.7 66.0 139 139 X L G <4 S+ 0 0 6 -3,-2.1 2,-2.3 1,-0.1 39,-1.1 0.600 86.4 92.1 -93.7 -16.4 -25.3 3.3 66.8 140 140 X D << + 0 0 12 -3,-1.1 -1,-0.1 -4,-0.7 36,-0.1 -0.452 65.2 112.0 -81.9 68.7 -25.4 5.5 63.7 141 141 X I S S- 0 0 32 -2,-2.3 36,-2.8 235,-0.1 37,-0.3 -0.840 80.5 -64.0-133.5 168.3 -27.3 3.0 61.7 142 142 X P B >> -S 176 0G 26 0, 0.0 4,-1.7 0, 0.0 3,-0.8 -0.305 44.2-129.4 -59.7 136.4 -30.8 2.8 60.2 143 143 X L H 3> S+ 0 0 3 32,-2.5 4,-3.0 29,-0.6 5,-0.3 0.862 105.9 60.2 -56.6 -40.3 -33.4 2.8 62.9 144 144 X N H 3> S+ 0 0 51 28,-1.6 4,-1.9 31,-0.2 -1,-0.3 0.883 106.0 48.2 -56.4 -38.2 -35.2 -0.2 61.4 145 145 X E H <> S+ 0 0 99 -3,-0.8 4,-1.6 27,-0.2 -1,-0.2 0.915 111.9 48.4 -67.7 -44.3 -32.0 -2.2 61.9 146 146 X Y H X S+ 0 0 9 -4,-1.7 4,-0.9 1,-0.2 3,-0.3 0.942 113.7 46.8 -59.4 -49.5 -31.5 -1.1 65.4 147 147 X V H X>S+ 0 0 2 -4,-3.0 4,-0.7 1,-0.2 5,-0.6 0.844 104.9 60.9 -64.6 -33.2 -35.1 -1.9 66.3 148 148 X D H ><5S+ 0 0 91 -4,-1.9 3,-1.0 -5,-0.3 -1,-0.2 0.899 101.8 53.9 -59.3 -39.0 -34.9 -5.2 64.6 149 149 X K H 3<5S+ 0 0 143 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.774 98.2 63.1 -65.4 -28.6 -32.2 -6.1 67.1 150 150 X L H 3<5S- 0 0 29 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.731 92.9-149.9 -66.8 -22.2 -34.5 -5.3 69.9 151 151 X D T <<5 - 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0 0 0 -3,-1.2 9,-0.1 -4,-0.6 10,-0.1 -0.407 40.3-166.1 -61.1 132.9 -28.3 22.4 69.4 402 402 X L S S+ 0 0 29 2,-0.1 -1,-0.2 -2,-0.1 -272,-0.1 0.621 90.1 42.6 -84.1 -18.2 -26.5 19.6 71.3 403 403 X E S S+ 0 0 70 1,-0.1 7,-0.1 7,-0.1 -1,-0.1 0.825 134.0 5.9-104.0 -41.3 -29.0 19.8 74.1 404 404 X F S > S- 0 0 8 3,-0.1 3,-1.4 -6,-0.1 6,-0.7 -0.348 74.4-179.9-145.0 62.7 -32.4 20.2 72.5 405 405 X P T 3 S+ 0 0 1 0, 0.0 -6,-0.2 0, 0.0 -7,-0.1 -0.379 71.4 22.7 -66.4 139.0 -32.1 19.8 68.7 406 406 X G T 3 S+ 0 0 20 -8,-0.5 2,-0.3 1,-0.3 -35,-0.1 0.490 107.5 97.9 85.1 5.4 -35.3 20.1 66.7 407 407 X Y S X> S- 0 0 35 -3,-1.4 3,-1.4 -9,-0.2 4,-1.2 -0.936 82.7-119.7-125.9 148.3 -37.0 22.1 69.5 408 408 X I H >> S+ 0 0 25 -2,-0.3 4,-1.9 1,-0.3 3,-0.6 0.883 114.7 62.5 -43.3 -43.5 -37.7 25.8 70.3 409 409 X E H 3> S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.836 98.5 55.1 -56.9 -34.2 -35.6 25.3 73.4 410 410 X G H <> S+ 0 0 0 -3,-1.4 4,-2.2 -6,-0.7 -13,-0.3 0.831 103.8 54.4 -69.3 -34.7 -32.6 24.4 71.3 411 411 X A H