==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-SEP-04 1XJB . COMPND 2 MOLECULE: ALDO-KETO REDUCTASE FAMILY 1 MEMBER C2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.-F.COUTURE,K.PEREIRA DE JESUS-TRAN,A.-M.ROY,P.LEGRAND,L.CA . 647 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 426 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 3.2 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 38 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.3 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 0 0 0 2 4 2 2 2 0 6 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 3 4 4 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 . 5 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 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 -1 A S 0 0 103 0, 0.0 2,-0.5 0, 0.0 337,-0.1 0.000 360.0 360.0 360.0 -83.2 93.0 38.4 191.4 2 0 A V + 0 0 37 336,-0.7 4,-0.5 1,-0.1 336,-0.1 -0.578 360.0 166.6-110.7 67.1 96.8 39.0 191.9 3 1 A D + 0 0 157 -2,-0.5 -1,-0.1 2,-0.1 336,-0.0 0.307 51.1 136.7 -59.5 15.4 98.4 38.1 188.5 4 2 A D S S- 0 0 77 1,-0.1 -2,-0.0 3,-0.0 0, 0.0 0.518 82.0 -70.1 -43.9-166.2 101.0 39.9 190.6 5 3 A S S S+ 0 0 55 71,-0.0 2,-0.4 2,-0.0 -1,-0.1 0.055 107.1 103.5 -85.7 18.2 104.6 39.0 191.0 6 4 A K + 0 0 41 -4,-0.5 2,-0.3 323,-0.1 323,-0.0 -0.901 37.7 132.4-106.0 138.9 103.3 36.0 193.0 7 5 A Y - 0 0 25 -2,-0.4 2,-0.4 42,-0.0 325,-0.3 -0.955 59.5 -71.5-167.8 166.1 103.2 32.4 191.8 8 6 A Q + 0 0 26 -2,-0.3 12,-2.3 323,-0.1 13,-0.4 -0.613 57.3 157.5 -78.6 125.2 104.1 28.9 192.9 9 7 A C E -A 19 0A 9 -2,-0.4 2,-0.4 10,-0.3 323,-0.2 -0.879 29.7-136.5-135.8 163.2 107.8 28.1 193.0 10 8 A V E -A 18 0A 34 8,-2.1 8,-2.8 -2,-0.3 2,-0.4 -0.964 26.2-110.8-124.7 149.3 110.1 25.7 194.8 11 9 A K E -A 17 0A 59 -2,-0.4 6,-0.3 6,-0.2 2,-0.1 -0.605 31.4-143.6 -81.8 129.6 113.5 26.3 196.5 12 10 A L > - 0 0 4 4,-4.0 3,-2.3 -2,-0.4 201,-0.1 -0.438 27.4-105.2 -90.9 163.5 116.4 24.7 194.6 13 11 A N T 3 S+ 0 0 45 199,-0.4 174,-0.1 1,-0.3 -1,-0.1 0.490 120.0 57.5 -68.9 -6.1 119.4 23.2 196.5 14 12 A D T 3 S- 0 0 39 2,-0.2 -1,-0.3 172,-0.1 3,-0.1 0.240 122.8-100.4-102.2 6.5 121.4 26.3 195.4 15 13 A G S < S+ 0 0 34 -3,-2.3 -2,-0.1 1,-0.3 2,-0.1 0.364 86.8 115.5 98.9 -8.4 119.2 28.9 197.0 16 14 A H - 0 0 64 147,-0.1 -4,-4.0 -5,-0.1 2,-0.4 -0.483 59.8-125.1 -91.7 170.1 117.3 29.9 193.8 17 15 A F E -A 11 0A 28 -6,-0.3 -6,-0.2 -2,-0.1 -1,-0.0 -0.934 14.5-158.9-119.9 141.4 113.6 29.4 193.1 18 16 A M E -A 10 0A 0 -8,-2.8 -8,-2.1 -2,-0.4 32,-0.1 -0.967 23.8-121.8-121.1 126.6 111.9 27.6 190.2 19 17 A P E -A 9 0A 8 0, 0.0 -10,-0.3 0, 0.0 -11,-0.0 -0.388 24.1-134.9 -62.3 138.7 108.3 28.2 189.2 20 18 A V S S+ 0 0 10 -12,-2.3 249,-2.2 1,-0.1 2,-0.5 0.599 88.0 60.4 -80.3 -9.9 106.6 24.8 189.4 21 19 A L E S-b 269 0B 5 -13,-0.4 28,-0.6 247,-0.2 29,-0.6 -0.980 71.3-170.4-118.5 120.8 104.8 25.0 186.0 22 20 A G E -bc 270 50B 0 247,-2.5 249,-1.9 -2,-0.5 2,-0.6 -0.861 20.4-129.9-110.0 148.0 107.1 25.4 182.9 23 21 A F E -bc 271 51B 1 27,-3.0 29,-3.0 -2,-0.3 2,-0.3 -0.799 21.8-142.1 -98.3 124.0 106.2 26.2 179.4 24 22 A G E -bc 272 52B 9 247,-2.0 249,-0.6 -2,-0.6 29,-0.1 -0.655 14.7-172.5 -82.7 143.9 107.7 23.8 176.8 25 23 A T + 0 0 0 27,-1.4 2,-0.2 -2,-0.3 -1,-0.1 0.429 42.7 114.3-119.2 2.6 108.8 25.3 173.6 26 24 A Y + 0 0 56 26,-0.2 32,-0.1 27,-0.1 -2,-0.1 -0.560 37.7 177.2 -78.1 138.4 109.8 22.4 171.3 27 25 A A - 0 0 6 -2,-0.2 9,-0.0 30,-0.2 -2,-0.0 -0.992 36.3 -94.3-136.9 144.3 107.6 21.9 168.3 28 26 A P > - 0 0 14 0, 0.0 3,-2.5 0, 0.0 0, 0.0 -0.101 42.8-101.4 -55.6 157.8 108.1 19.3 165.5 29 27 A A T 3 S+ 0 0 79 1,-0.3 4,-0.1 4,-0.0 -2,-0.0 0.817 118.2 64.2 -54.2 -35.2 110.0 20.3 162.3 30 28 A E T 3 S+ 0 0 140 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.654 85.9 88.2 -65.2 -15.1 106.9 20.8 160.2 31 29 A V S < S- 0 0 38 -3,-2.5 -4,-0.1 1,-0.0 5,-0.1 -0.802 88.9-117.2 -88.4 125.4 105.9 23.7 162.6 32 30 A P > - 0 0 72 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.200 17.2-126.5 -59.6 139.9 107.4 27.1 161.4 33 31 A K T >> S+ 0 0 66 1,-0.3 3,-1.6 2,-0.2 4,-0.6 0.750 104.7 72.8 -56.2 -31.7 109.8 28.6 164.0 34 32 A S H >> S+ 0 0 75 1,-0.3 3,-1.2 2,-0.2 4,-1.0 0.843 83.7 67.1 -55.2 -35.5 107.8 31.8 164.0 35 33 A K H <> S+ 0 0 121 -3,-1.3 4,-1.9 1,-0.3 -1,-0.3 0.711 90.0 64.6 -58.2 -26.2 105.0 30.1 165.9 36 34 A A H <> S+ 0 0 1 -3,-1.6 4,-2.6 -4,-0.3 5,-0.3 0.850 96.6 57.6 -67.0 -35.2 107.3 29.8 169.0 37 35 A L H S+ 0 0 0 -4,-2.7 5,-2.7 2,-0.2 4,-0.9 0.930 110.2 45.8 -61.7 -43.5 102.3 31.7 177.7 44 42 A I H ><5S+ 0 0 14 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.949 113.0 50.3 -65.0 -43.5 103.8 34.7 179.6 45 43 A E H 3<5S+ 0 0 111 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.848 108.2 53.3 -60.5 -42.6 100.5 36.5 179.2 46 44 A A H 3<5S- 0 0 29 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.686 129.1 -92.0 -67.5 -18.9 98.6 33.5 180.6 47 45 A G T <<5S+ 0 0 36 -3,-1.1 2,-0.3 -4,-0.9 -3,-0.2 0.494 74.2 143.9 118.0 5.3 100.8 33.3 183.7 48 46 A F < + 0 0 1 -5,-2.7 -1,-0.3 -6,-0.2 -26,-0.1 -0.610 16.9 173.9 -74.5 138.0 103.7 31.0 182.9 49 47 A H + 0 0 26 -28,-0.6 33,-2.9 -2,-0.3 2,-0.5 0.328 61.4 70.1-122.3 -5.4 106.8 32.3 184.6 50 48 A H E -cd 22 82B 2 -29,-0.6 -27,-3.0 31,-0.2 2,-0.5 -0.990 61.5-172.8-118.7 128.6 109.1 29.3 183.7 51 49 A I E -cd 23 83B 0 31,-3.3 33,-2.7 -2,-0.5 2,-0.6 -0.988 7.4-155.9-128.7 124.2 110.1 28.8 180.1 52 50 A D E +cd 24 84B 4 -29,-3.0 -27,-1.4 -2,-0.5 2,-0.2 -0.893 28.0 139.2-107.2 119.8 112.0 25.7 178.8 53 51 A S - 0 0 0 31,-2.6 2,-0.3 -2,-0.6 3,-0.1 -0.655 25.4-157.4-137.2-166.4 114.1 25.7 175.7 54 52 A A > - 0 0 0 31,-0.2 3,-1.2 -2,-0.2 5,-0.5 -0.941 35.2-108.2-170.6 154.7 117.4 24.3 174.4 55 53 A H G > S+ 0 0 38 31,-1.4 3,-1.7 -2,-0.3 5,-0.2 0.920 116.3 58.7 -54.6 -41.5 120.0 25.0 171.7 56 54 A V G 3 S+ 0 0 45 1,-0.3 -1,-0.2 30,-0.2 74,-0.1 0.622 90.8 70.1 -72.8 -10.8 118.9 21.9 169.8 57 55 A Y G < S- 0 0 34 -3,-1.2 -1,-0.3 -31,-0.0 -30,-0.2 0.670 91.9-143.9 -82.8 -9.9 115.3 23.2 169.5 58 56 A N S < S+ 0 0 119 -3,-1.7 -3,-0.1 -4,-0.4 -2,-0.1 0.895 75.2 94.7 57.3 42.8 116.5 25.9 167.1 59 57 A N > + 0 0 2 -5,-0.5 4,-3.1 -4,-0.1 5,-0.3 0.224 38.1 111.4-142.2 5.9 114.0 28.5 168.4 60 58 A E H > S+ 0 0 6 -6,-0.2 4,-2.5 1,-0.2 5,-0.2 0.831 78.2 57.5 -58.3 -32.1 116.1 30.4 170.9 61 59 A E H > S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.954 114.3 37.6 -58.2 -49.6 116.0 33.5 168.6 62 60 A Q H > S+ 0 0 37 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.887 118.8 47.6 -68.6 -44.4 112.2 33.4 168.7 63 61 A V H X S+ 0 0 0 -4,-3.1 4,-2.2 2,-0.2 5,-0.2 0.913 112.4 50.6 -67.0 -39.2 111.9 32.4 172.4 64 62 A G H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.3 5,-0.2 0.937 110.0 50.5 -62.5 -44.0 114.4 35.1 173.4 65 63 A L H X S+ 0 0 71 -4,-2.0 4,-3.1 -5,-0.2 -1,-0.2 0.904 107.5 53.1 -59.5 -43.4 112.5 37.7 171.4 66 64 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.944 112.5 44.5 -56.0 -53.4 109.2 36.8 173.1 67 65 A I H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.944 114.6 47.7 -59.2 -51.5 110.8 37.2 176.5 68 66 A R H X S+ 0 0 114 -4,-3.0 4,-3.3 1,-0.2 3,-0.3 0.904 110.5 54.6 -53.5 -42.2 112.5 40.5 175.6 69 67 A S H X S+ 0 0 49 -4,-3.1 4,-1.1 1,-0.2 -1,-0.2 0.893 108.0 46.7 -60.6 -44.7 109.3 41.7 174.1 70 68 A K H <>S+ 0 0 19 -4,-2.1 6,-2.0 2,-0.2 5,-1.0 0.674 115.2 47.6 -74.5 -20.7 107.3 41.1 177.3 71 69 A I H ><5S+ 0 0 52 -4,-1.4 3,-1.9 -3,-0.3 -2,-0.2 0.913 110.8 49.7 -80.3 -49.9 109.9 42.7 179.4 72 70 A A H 3<5S+ 0 0 92 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.701 109.7 52.0 -64.6 -18.5 110.3 45.8 177.2 73 71 A D T 3<5S- 0 0 88 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.1 0.484 115.1-114.6 -96.2 0.4 106.6 46.3 177.2 74 72 A G T < 5S+ 0 0 64 -3,-1.9 -3,-0.2 2,-0.3 -2,-0.1 0.500 82.2 120.8 82.6 11.3 106.3 46.2 180.9 75 73 A S S - 0 0 126 -2,-0.3 3,-1.8 1,-0.1 -5,-0.0 -0.706 30.1-116.8 -97.4 159.1 110.3 41.8 184.8 78 76 A R G > S+ 0 0 33 1,-0.3 3,-1.9 -2,-0.3 -1,-0.1 0.884 114.5 59.6 -61.6 -36.3 113.4 39.7 184.0 79 77 A E G 3 S+ 0 0 108 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.624 100.9 57.5 -69.0 -11.2 113.5 38.4 187.6 80 78 A D G < S+ 0 0 14 -3,-1.8 2,-0.4 2,-0.0 -1,-0.3 0.130 93.4 78.5-102.8 12.3 110.0 37.0 187.2 81 79 A I < - 0 0 2 -3,-1.9 2,-0.7 -5,-0.1 -31,-0.2 -0.999 63.3-160.8-120.5 129.6 111.0 34.9 184.2 82 80 A F E -d 50 0B 9 -33,-2.9 -31,-3.3 -2,-0.4 2,-0.5 -0.945 17.1-170.8-111.5 99.6 112.8 31.6 184.8 83 81 A Y E -d 51 0B 0 -2,-0.7 31,-1.8 -33,-0.2 32,-1.6 -0.898 4.2-165.2-100.4 130.4 114.4 30.7 181.5 84 82 A T E +de 52 115B 0 -33,-2.7 -31,-2.6 -2,-0.5 2,-0.3 -0.922 9.8 174.0-117.7 128.6 116.1 27.3 180.9 85 83 A S E - e 0 116B 0 30,-2.5 32,-1.7 -2,-0.4 2,-0.4 -0.818 19.7-136.7-116.4 178.2 118.5 26.4 178.1 86 84 A K E - e 0 117B 0 -2,-0.3 -31,-1.4 30,-0.2 2,-0.6 -0.989 12.9-122.6-141.9 139.2 120.4 23.1 177.6 87 85 A L E - e 0 118B 0 30,-3.7 32,-2.1 -2,-0.4 33,-0.5 -0.694 35.0-135.8 -74.2 117.6 124.0 22.3 176.5 88 86 A W > - 0 0 15 -2,-0.6 3,-2.2 31,-0.1 12,-0.1 -0.428 20.6-107.7 -78.7 155.2 123.8 20.0 173.5 89 87 A S G > S+ 0 0 1 1,-0.3 35,-2.1 2,-0.2 3,-0.7 0.518 112.7 68.9 -59.6 -13.1 126.0 16.9 173.2 90 88 A N G 3 S+ 0 0 3 1,-0.2 37,-0.3 33,-0.2 -1,-0.3 0.465 103.5 48.9 -83.5 -3.7 128.3 18.4 170.5 91 89 A S G < S+ 0 0 20 -3,-2.2 -1,-0.2 35,-0.1 -2,-0.2 0.074 70.6 112.8-123.3 31.8 129.6 20.7 173.3 92 90 A H < + 0 0 1 -3,-0.7 5,-0.1 32,-0.3 -1,-0.1 0.733 48.5 102.5 -72.6 -30.8 130.3 18.3 176.2 93 91 A R S >> S- 0 0 82 1,-0.1 3,-3.0 -3,-0.1 4,-0.7 -0.498 83.5-122.8 -54.5 133.9 134.1 18.9 176.0 94 92 A P H >> S+ 0 0 50 0, 0.0 3,-1.2 0, 0.0 4,-0.7 0.758 109.1 52.9 -49.8 -46.6 134.9 21.3 178.9 95 93 A E H 34 S+ 0 0 119 1,-0.3 -2,-0.1 2,-0.1 -3,-0.1 0.576 110.3 50.3 -67.6 -15.4 136.4 24.0 176.7 96 94 A L H <> S+ 0 0 46 -3,-3.0 4,-1.5 -5,-0.1 -1,-0.3 0.507 90.5 81.4 -96.2 -10.3 133.3 24.1 174.5 97 95 A V H XX S+ 0 0 0 -3,-1.2 4,-2.1 -4,-0.7 3,-0.5 0.978 95.3 39.4 -65.6 -59.9 130.7 24.4 177.4 98 96 A R H 3X S+ 0 0 120 -4,-0.7 4,-3.1 1,-0.2 5,-0.3 0.913 113.1 55.2 -58.1 -42.7 130.9 28.1 178.0 99 97 A P H 3> S+ 0 0 70 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.862 108.7 50.7 -56.8 -31.8 131.2 29.0 174.3 100 98 A A H S+ 0 0 13 -4,-2.7 4,-2.5 1,-0.2 5,-1.4 0.895 109.1 52.4 -61.7 -33.8 122.7 33.9 175.1 106 104 A K H <5S+ 0 0 149 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.938 112.0 44.6 -66.9 -47.5 123.7 35.7 171.9 107 105 A N H <5S+ 0 0 63 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.897 120.2 41.2 -59.2 -45.1 120.7 34.2 170.1 108 106 A L H <5S- 0 0 2 -4,-2.8 -40,-0.2 -5,-0.2 -2,-0.2 0.762 98.5-138.0 -73.2 -30.4 118.4 34.9 173.0 109 107 A Q T <5 + 0 0 113 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.918 59.3 131.9 60.1 48.3 119.8 38.4 173.7 110 108 A L < - 0 0 15 -5,-1.4 -1,-0.3 -6,-0.1 -2,-0.1 -0.896 61.1-137.0-120.8 159.1 119.6 37.7 177.4 111 109 A D S S+ 0 0 143 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.789 83.8 1.0 -86.7 -28.6 122.4 38.3 179.9 112 110 A Y - 0 0 37 -7,-0.1 2,-0.4 -3,-0.0 -1,-0.2 -0.971 63.5-127.0-151.1 158.7 122.0 35.1 181.7 113 111 A V E - f 0 162B 0 48,-2.7 50,-2.4 -2,-0.3 51,-0.3 -0.873 19.6-138.6-102.6 145.9 119.9 31.9 181.7 114 112 A D E S+ 0 0 11 -31,-1.8 50,-1.0 -2,-0.4 2,-0.3 0.799 90.0 14.6 -72.3 -23.8 118.2 30.9 185.0 115 113 A L E -ef 84 164B 2 -32,-1.6 -30,-2.5 48,-0.2 2,-0.4 -0.979 62.6-169.1-151.9 134.3 119.1 27.4 184.4 116 114 A Y E -ef 85 165B 1 48,-1.7 50,-1.7 -2,-0.3 2,-0.3 -0.998 17.9-167.3-124.5 128.0 121.5 25.6 182.1 117 115 A L E -ef 86 166B 0 -32,-1.7 -30,-3.7 -2,-0.4 2,-0.8 -0.815 32.7-116.5-115.1 152.7 121.3 21.8 181.8 118 116 A I E -ef 87 167B 0 48,-1.7 50,-1.6 -2,-0.3 -30,-0.1 -0.796 37.4-154.6 -79.2 117.3 123.4 19.0 180.3 119 117 A H - 0 0 17 -32,-2.1 -1,-0.2 -2,-0.8 -31,-0.1 0.902 65.8 -0.9 -70.7 -43.7 120.8 18.0 177.8 120 118 A F - 0 0 0 -33,-0.5 -1,-0.2 2,-0.1 49,-0.1 -0.993 62.6-132.8-153.8 134.1 121.7 14.3 177.2 121 119 A P S S+ 0 0 0 0, 0.0 2,-0.5 0, 0.0 25,-0.1 0.530 82.5 89.6 -73.1 -7.4 124.6 12.3 178.8 122 120 A V S S- 0 0 2 196,-0.1 2,-0.3 195,-0.1 -2,-0.1 -0.814 71.3-144.3 -94.4 129.0 125.8 10.8 175.4 123 121 A S - 0 0 5 -2,-0.5 19,-1.9 19,-0.5 2,-0.3 -0.674 13.8-167.3 -94.7 146.7 128.4 12.9 173.7 124 122 A V B -J 141 0C 1 -35,-2.1 -32,-0.3 17,-0.3 17,-0.3 -0.877 39.8 -72.5-125.9 161.3 128.9 13.5 169.9 125 123 A K - 0 0 77 15,-3.0 15,-0.1 -2,-0.3 17,-0.1 -0.244 55.3-103.0 -56.4 140.0 131.7 15.1 168.0 126 124 A P S S+ 0 0 47 0, 0.0 2,-0.2 0, 0.0 -35,-0.1 -0.160 71.7 85.0 -59.9 157.0 132.2 18.9 168.2 127 125 A G S S- 0 0 40 -37,-0.3 -37,-0.1 1,-0.1 0, 0.0 -0.785 89.6 -64.8 136.9 178.9 131.1 21.1 165.3 128 126 A E S S+ 0 0 152 -2,-0.2 -1,-0.1 3,-0.0 2,-0.1 0.894 101.4 90.0 -67.6 -39.0 128.0 22.9 164.1 129 127 A E - 0 0 122 1,-0.2 0, 0.0 -3,-0.1 0, 0.0 -0.343 64.1-154.8 -66.4 128.3 125.9 19.8 163.3 130 128 A V S S+ 0 0 48 1,-0.3 -1,-0.2 -2,-0.1 -41,-0.1 0.860 94.9 30.2 -70.6 -39.6 123.9 18.7 166.3 131 129 A I S S- 0 0 44 -41,-0.0 -1,-0.3 -42,-0.0 2,-0.2 -0.758 88.9-163.0-120.3 81.4 123.7 15.1 165.2 132 130 A P - 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0 0 24 1,-0.2 14,-0.1 2,-0.1 7,-0.0 0.210 43.6 -68.9 77.9 165.8 101.5 22.1 220.4 547 222 B H - 0 0 64 1,-0.1 -1,-0.2 2,-0.1 6,-0.0 0.503 55.7-142.9 -65.0 -11.1 102.4 24.5 223.2 548 223 B R + 0 0 63 -3,-0.2 2,-0.2 1,-0.2 -1,-0.1 0.677 37.9 168.7 47.6 28.4 101.3 21.8 225.7 549 224 B E > - 0 0 23 2,-0.1 4,-2.3 3,-0.0 3,-0.4 -0.442 31.2 -94.8 -71.8 132.0 99.8 24.5 227.9 550 225 B E T 4 S+ 0 0 128 1,-0.3 4,-0.1 2,-0.2 -1,-0.0 -0.631 100.2 14.7 -97.5 132.7 97.6 23.4 230.8 551 226 B P T 4 S+ 0 0 120 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.934 123.6 61.0-114.3 17.8 94.7 23.1 231.2 552 227 B W T 4 S+ 0 0 71 -3,-0.4 80,-0.5 1,-0.1 81,-0.4 0.894 111.0 35.8 -63.0 -42.1 94.2 23.3 227.3 553 228 B V S < S- 0 0 1 -4,-2.3 -1,-0.1 78,-0.1 78,-0.1 -0.954 90.3-114.2-121.7 132.0 96.4 20.2 226.6 554 229 B D > - 0 0 90 -2,-0.4 3,-2.2 76,-0.4 -4,-0.0 -0.511 17.5-147.5 -62.7 120.6 96.6 17.0 228.7 555 230 B P T 3 S+ 0 0 62 0, 0.0 -1,-0.2 0, 0.0 4,-0.0 0.773 97.5 65.2 -64.4 -24.5 100.2 16.8 230.1 556 231 B N T 3 S+ 0 0 147 2,-0.1 3,-0.1 3,-0.0 -2,-0.1 0.639 79.1 109.4 -67.9 -15.3 99.9 13.0 229.9 557 232 B S S < S- 0 0 17 -3,-2.2 3,-0.0 1,-0.1 -4,-0.0 -0.357 83.3 -92.3 -65.5 144.7 99.7 13.3 226.1 558 233 B P - 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0 0 36 -2,-0.2 4,-2.2 28,-0.1 5,-0.2 -0.930 28.6-109.6-132.2 163.8 115.6 17.6 213.7 577 252 B P H > S+ 0 0 29 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.833 120.3 55.4 -61.4 -28.8 112.2 15.9 214.5 578 253 B A H > S+ 0 0 8 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.975 105.3 50.7 -65.8 -53.2 110.6 19.3 214.1 579 254 B L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.896 111.0 49.5 -50.7 -43.3 112.0 19.7 210.6 580 255 B I H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.904 109.8 50.5 -61.7 -44.1 110.6 16.3 209.7 581 256 B A H X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.900 114.6 44.8 -63.9 -43.8 107.1 17.1 211.1 582 257 B L H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.876 111.6 50.2 -61.8 -47.9 107.0 20.4 209.1 583 258 B R H X S+ 0 0 25 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.870 103.8 62.0 -64.5 -37.2 108.3 18.9 205.9 584 259 B Y H X S+ 0 0 0 -4,-2.0 4,-0.6 -5,-0.2 -1,-0.2 0.905 104.7 46.2 -48.0 -50.8 105.7 16.2 206.2 585 260 B Q H ><>S+ 0 0 0 -4,-1.1 5,-2.9 -3,-0.2 3,-1.3 0.931 109.6 54.3 -65.0 -45.9 102.9 18.7 206.0 586 261 B L H ><5S+ 0 0 28 -4,-2.1 3,-1.2 1,-0.3 -2,-0.2 0.902 107.8 50.0 -52.6 -40.9 104.4 20.6 203.0 587 262 B Q H 3<5S+ 0 0 35 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.596 107.8 53.1 -79.7 -10.1 104.7 17.4 200.9 588 263 B R T <<5S- 0 0 28 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.221 124.2 -99.4-106.0 14.4 101.0 16.4 201.6 589 264 B G T < 5S+ 0 0 41 -3,-1.2 2,-0.4 1,-0.3 -51,-0.4 0.639 79.4 135.2 83.3 20.0 99.8 19.8 200.4 590 265 B V < - 0 0 3 -5,-2.9 2,-0.5 -6,-0.2 -1,-0.3 -0.804 53.5-134.9-107.6 138.3 99.3 21.4 203.8 591 266 B V E - u 0 539G 3 -53,-1.9 -51,-2.9 -2,-0.4 2,-0.4 -0.755 33.2-152.3 -83.8 132.0 100.4 24.9 204.8 592 267 B V E -nu 344 540G 0 -249,-2.3 -247,-2.8 -2,-0.5 2,-0.2 -0.880 12.2-153.3-119.4 134.1 102.1 24.5 208.1 593 268 B L E -n 345 0G 9 -53,-2.4 2,-0.3 -2,-0.4 -50,-0.3 -0.655 9.2-170.1 -93.0 160.1 102.5 26.9 211.1 594 269 B A E -n 346 0G 3 -249,-1.6 -247,-1.4 -2,-0.2 2,-0.5 -0.856 6.5-157.7-157.1 117.8 105.4 26.8 213.6 595 270 B K E +n 347 0G 91 -2,-0.3 2,-0.3 -249,-0.3 -247,-0.1 -0.850 25.1 151.0 -98.1 129.0 105.6 28.8 216.7 596 271 B S - 0 0 10 -249,-0.6 -230,-0.1 -2,-0.5 -2,-0.1 -0.890 31.8-169.5-150.3 141.2 109.0 29.4 218.4 597 272 B Y + 0 0 46 -2,-0.3 2,-0.6 -232,-0.0 3,-0.1 0.229 64.6 104.6-102.1 13.9 110.3 32.3 220.5 598 273 B N > - 0 0 31 1,-0.1 4,-3.7 -236,-0.0 5,-0.3 -0.850 66.1-146.5-100.9 117.3 113.9 30.9 220.2 599 274 B E H > S+ 0 0 96 -2,-0.6 4,-1.2 1,-0.3 -1,-0.1 0.862 100.4 44.2 -48.5 -46.1 116.1 32.9 217.8 600 275 B Q H > S+ 0 0 129 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.866 114.4 46.7 -68.4 -37.9 118.0 29.8 216.8 601 276 B R H > S+ 0 0 135 2,-0.2 4,-2.8 -3,-0.2 5,-0.3 0.920 105.9 59.9 -74.4 -38.1 114.9 27.5 216.4 602 277 B I H X S+ 0 0 1 -4,-3.7 4,-0.8 1,-0.2 -1,-0.2 0.906 110.2 44.7 -46.6 -43.6 113.1 30.3 214.4 603 278 B R H < S+ 0 0 128 -4,-1.2 3,-0.4 -5,-0.3 4,-0.4 0.901 109.7 54.4 -70.3 -44.3 116.1 29.9 212.1 604 279 B Q H >< S+ 0 0 46 -4,-2.2 3,-2.5 1,-0.2 -2,-0.2 0.938 102.2 56.6 -50.4 -53.1 116.0 26.1 212.1 605 280 B N H >< S+ 0 0 6 -4,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.806 97.5 61.8 -57.0 -36.3 112.4 25.8 211.0 606 281 B V G >< S+ 0 0 31 -4,-0.8 3,-1.1 -3,-0.4 -1,-0.3 0.621 87.1 76.2 -64.9 -11.8 113.0 27.9 207.8 607 282 B Q G X + 0 0 68 -3,-2.5 3,-1.9 -4,-0.4 -1,-0.3 0.444 63.6 96.9 -81.1 -1.7 115.4 25.1 206.8 608 283 B V G X S+ 0 0 0 -3,-1.7 3,-0.5 1,-0.3 -1,-0.3 0.683 78.7 59.8 -54.9 -22.0 112.2 23.0 205.9 609 284 B F G < S+ 0 0 28 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.342 89.9 73.3 -89.5 10.4 112.9 24.2 202.4 610 285 B E G < S+ 0 0 88 -3,-1.9 2,-0.3 -597,-0.0 -1,-0.2 0.465 99.5 25.8-105.9 -10.8 116.4 22.6 202.3 611 286 B F < - 0 0 9 -3,-0.5 2,-0.3 -4,-0.2 -401,-0.1 -0.941 61.2-138.9-147.3 168.9 115.4 18.9 202.0 612 287 B Q - 0 0 15 -403,-0.7 2,-0.4 -2,-0.3 -400,-0.1 -0.925 15.2-131.6-128.2 156.0 112.8 16.5 200.8 613 288 B L - 0 0 0 -2,-0.3 2,-0.1 -30,-0.2 -403,-0.1 -0.853 24.3-125.6-103.5 143.7 111.3 13.2 202.2 614 289 B T > - 0 0 6 -2,-0.4 4,-1.7 1,-0.1 5,-0.1 -0.320 28.4-104.9 -81.0 171.5 111.0 10.1 200.0 615 290 B S H > S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.850 121.5 54.6 -71.3 -35.9 107.6 8.3 199.6 616 291 B E H > S+ 0 0 116 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.911 110.2 48.3 -60.5 -39.1 108.7 5.4 201.9 617 292 B E H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.874 109.4 50.9 -69.6 -37.5 109.4 8.1 204.6 618 293 B M H X S+ 0 0 26 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.896 109.9 51.3 -61.6 -45.9 106.1 9.8 204.0 619 294 B K H X S+ 0 0 135 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.863 107.6 52.6 -57.0 -37.7 104.5 6.4 204.4 620 295 B A H < S+ 0 0 43 -4,-1.8 4,-0.3 2,-0.2 -2,-0.2 0.881 111.0 46.2 -68.0 -41.3 106.4 5.9 207.7 621 296 B I H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.895 107.2 57.7 -70.9 -39.5 105.2 9.3 209.0 622 297 B D H >< S+ 0 0 72 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.867 99.4 61.2 -51.3 -46.9 101.6 8.4 207.9 623 298 B G T 3< S+ 0 0 63 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.640 88.7 71.7 -49.2 -22.8 101.9 5.3 210.1 624 299 B L T < + 0 0 20 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.542 67.9 125.6 -76.8 -8.9 102.4 7.5 213.2 625 300 B N < + 0 0 57 -3,-1.6 -104,-0.2 -4,-0.2 -103,-0.2 -0.278 25.9 165.7 -60.1 127.4 98.8 8.6 213.2 626 301 B R - 0 0 105 -105,-1.7 -104,-0.2 2,-0.1 -1,-0.1 0.439 48.6-119.3-120.8 -10.4 97.1 7.9 216.5 627 302 B N + 0 0 125 -106,-0.9 2,-0.6 1,-0.2 -105,-0.2 0.805 64.3 146.4 63.7 29.4 93.8 9.9 216.4 628 303 B V - 0 0 31 -107,-1.6 2,-0.8 -70,-0.0 -1,-0.2 -0.883 35.4-158.7 -97.5 116.2 95.1 11.9 219.5 629 304 B R - 0 0 48 -2,-0.6 3,-0.2 1,-0.2 -107,-0.0 -0.806 8.2-166.4 -99.5 111.6 93.9 15.4 219.5 630 305 B Y S S+ 0 0 6 -2,-0.8 2,-0.7 1,-0.2 -76,-0.4 0.886 82.9 46.0 -57.0 -42.3 96.1 17.8 221.7 631 306 B L + 0 0 19 1,-0.2 -1,-0.2 -78,-0.1 -114,-0.1 -0.783 56.3 156.9-112.2 93.2 93.6 20.6 221.6 632 307 B T - 0 0 45 -2,-0.7 12,-0.2 -80,-0.5 -1,-0.2 0.742 30.7-157.2 -81.2 -25.9 90.0 19.4 222.3 633 308 B L > + 0 0 25 -81,-0.4 3,-2.3 1,-0.1 -2,-0.1 0.849 30.6 162.3 44.1 39.7 88.9 22.8 223.5 634 309 B D G > + 0 0 98 1,-0.3 3,-2.0 -82,-0.2 -1,-0.1 0.568 53.4 84.0 -70.7 -6.6 86.2 20.8 225.2 635 310 B I G 3 S+ 0 0 72 1,-0.3 -1,-0.3 -83,-0.1 -173,-0.2 0.688 93.4 52.0 -59.7 -17.4 85.4 23.7 227.5 636 311 B F G < S+ 0 0 1 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.249 83.9 126.1-102.7 11.8 83.3 24.7 224.6 637 312 B A < + 0 0 45 -3,-2.0 4,-0.0 1,-0.2 -4,-0.0 -0.295 47.8 54.6 -71.5 152.2 81.5 21.3 224.3 638 313 B G S S+ 0 0 73 1,-0.4 -1,-0.2 2,-0.0 -2,-0.1 -0.414 74.6 101.6 122.7 -59.0 77.7 21.3 224.3 639 314 B P S > S- 0 0 27 0, 0.0 3,-1.8 0, 0.0 -1,-0.4 -0.205 82.3-112.0 -61.3 155.4 76.5 23.6 221.5 640 315 B P T 3 S+ 0 0 119 0, 0.0 -195,-0.1 0, 0.0 -2,-0.0 0.811 116.6 54.4 -55.8 -30.8 75.4 22.2 218.1 641 316 B N T 3 + 0 0 28 -197,-0.1 -196,-0.1 -195,-0.1 -144,-0.1 0.394 66.8 130.3 -92.8 9.7 78.5 23.7 216.5 642 317 B Y < - 0 0 27 -3,-1.8 3,-0.4 1,-0.2 -5,-0.1 -0.478 50.1-153.2 -60.4 122.2 81.1 22.1 218.8 643 318 B P S S+ 0 0 2 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.680 73.5 64.3 -83.5 -17.9 83.4 20.8 215.9 644 319 B F S S+ 0 0 28 -12,-0.2 -2,-0.1 1,-0.2 -10,-0.0 0.345 79.2 78.1 -98.8 12.3 85.2 17.8 217.4 645 320 B S S S+ 0 0 93 -3,-0.4 -1,-0.2 3,-0.0 -3,-0.0 0.832 81.1 81.0 -78.8 -33.2 82.3 15.3 218.1 646 321 B D S S- 0 0 69 -3,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.269 94.7-110.4 -69.7 163.0 82.0 14.3 214.4 647 322 B E 0 0 152 1,-0.1 -1,-0.1 -153,-0.0 -121,-0.1 0.935 360.0 360.0 -55.6 -47.2 84.3 11.8 212.8 648 323 B Y 0 0 74 -122,-0.1 -153,-1.8 -121,-0.0 -1,-0.1 0.292 360.0 360.0-161.0 360.0 85.7 14.7 210.8