==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-OCT-06 2NOO . COMPND 2 MOLECULE: NICKEL-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR C.ADDY,M.OHARA,F.KAWAI,A.KIDERA,M.IKEGUCHI,S.FUCHIGAMI, . 496 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21096.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 37 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 3 0 2 1 1 4 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 3 1 2 6 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 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 4 A D 0 0 102 0, 0.0 188,-3.1 0, 0.0 189,-1.1 0.000 360.0 360.0 360.0 9.9 8.0 -21.3 -0.3 2 5 A E E -a 190 0A 98 186,-0.2 2,-0.3 187,-0.2 189,-0.2 -0.942 360.0-170.8-128.2 143.2 5.4 -18.6 0.7 3 6 A I E -a 191 0A 5 187,-2.2 189,-2.1 -2,-0.4 2,-0.4 -0.956 8.1-151.2-130.7 157.2 5.1 -16.3 3.7 4 7 A T E +a 192 0A 21 -2,-0.3 208,-2.6 187,-0.2 209,-1.1 -0.985 20.1 159.8-125.9 135.7 2.4 -14.0 4.9 5 8 A T E -a 193 0A 0 187,-3.2 189,-2.4 -2,-0.4 2,-0.3 -0.640 29.4-119.1-131.6-167.2 2.7 -10.8 7.0 6 9 A A E -a 194 0A 3 207,-0.4 209,-0.3 187,-0.3 189,-0.2 -0.980 20.2-175.7-140.0 152.5 0.5 -7.8 7.7 7 10 A W E -a 195 0A 6 187,-2.2 189,-2.3 -2,-0.3 15,-0.0 -0.973 33.9-122.3-145.3 150.6 0.9 -4.0 7.2 8 11 A P S S+ 0 0 19 0, 0.0 2,-0.3 0, 0.0 187,-0.1 0.759 91.4 15.0 -68.3 -21.7 -1.2 -1.0 8.1 9 12 A V S S- 0 0 53 13,-0.2 2,-0.2 187,-0.1 187,-0.1 -0.930 82.4 -95.6-143.2 158.7 -1.5 0.2 4.4 10 13 A N - 0 0 25 -2,-0.3 157,-0.1 1,-0.1 163,-0.0 -0.583 33.9-145.9 -66.0 147.3 -1.1 -0.8 0.8 11 14 A V > + 0 0 8 -2,-0.2 3,-1.7 2,-0.1 9,-0.1 0.565 42.6 150.3-100.1 -8.4 2.4 0.5 -0.3 12 15 A G T 3 + 0 0 39 1,-0.3 -2,-0.1 2,-0.1 161,-0.0 -0.385 52.8 39.8 -60.8 146.2 1.6 1.4 -3.9 13 16 A P T 3 S- 0 0 83 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.988 76.4-168.3 -77.6 -3.1 2.7 3.4 -5.8 14 17 A L < - 0 0 0 -3,-1.7 -2,-0.1 1,-0.2 5,-0.1 0.951 11.5-176.2 47.0 59.2 6.2 2.6 -4.3 15 18 A N > - 0 0 5 3,-0.2 3,-1.1 1,-0.1 -1,-0.2 -0.769 21.4-147.9 -83.2 124.8 7.9 5.5 -5.9 16 19 A P T 3 S+ 0 0 0 0, 0.0 3,-0.3 0, 0.0 121,-0.2 0.700 96.6 45.8 -67.7 -18.6 11.6 5.2 -5.0 17 20 A H T 3 S+ 0 0 3 1,-0.2 132,-0.1 117,-0.1 117,-0.1 0.407 116.2 42.6-107.6 -2.4 12.0 9.0 -5.0 18 21 A L S < S+ 0 0 69 -3,-1.1 -3,-0.2 2,-0.0 2,-0.2 -0.191 80.4 166.0-131.3 43.0 8.9 9.9 -3.0 19 22 A A - 0 0 27 -3,-0.3 115,-0.0 -5,-0.1 5,-0.0 -0.418 20.5-155.8 -70.6 128.9 9.2 7.2 -0.3 20 23 A T >> - 0 0 62 -2,-0.2 3,-1.4 -9,-0.1 4,-0.7 -0.548 32.3-103.9 -95.6 164.3 7.0 7.6 2.8 21 24 A P G >4 S+ 0 0 109 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.898 123.0 53.4 -59.4 -38.0 7.8 6.0 6.2 22 25 A N G 34 S+ 0 0 62 1,-0.2 4,-0.3 2,-0.1 -13,-0.2 0.657 111.5 47.9 -72.6 -9.5 5.2 3.3 5.7 23 26 A Q G <> S+ 0 0 17 -3,-1.4 4,-2.5 2,-0.1 -1,-0.2 0.499 84.3 93.1 -97.8 -7.3 6.8 2.5 2.3 24 27 A M H S+ 0 0 10 -4,-0.4 4,-0.6 1,-0.2 3,-0.5 0.951 114.5 44.8 -70.0 -46.6 10.5 -1.4 4.2 26 29 A A H >> S+ 0 0 6 -4,-0.3 3,-1.2 1,-0.2 4,-1.2 0.848 102.6 68.2 -63.4 -36.9 9.0 -2.3 0.8 27 30 A Q H >X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.3 3,-0.6 0.898 99.9 48.6 -46.2 -46.4 11.4 0.2 -0.9 28 31 A S H 3< S+ 0 0 20 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.660 103.1 61.3 -77.3 -17.2 14.3 -2.0 -0.1 29 32 A M H << S+ 0 0 10 -3,-1.2 133,-1.7 -4,-0.6 -1,-0.2 0.792 121.2 21.7 -71.4 -34.8 12.6 -5.1 -1.4 30 33 A V H << S+ 0 0 2 -4,-1.2 130,-2.9 -3,-0.6 2,-0.3 0.786 116.8 58.9-102.0 -41.0 12.3 -3.7 -5.0 31 34 A Y < - 0 0 0 -4,-2.8 -1,-0.1 -5,-0.2 108,-0.1 -0.796 61.4-162.5-108.4 141.8 15.0 -0.9 -5.3 32 35 A E - 0 0 7 -2,-0.3 106,-1.0 106,-0.3 2,-0.2 -0.856 10.5-129.9-126.2 153.0 18.8 -1.2 -4.9 33 36 A P - 0 0 5 0, 0.0 14,-1.5 0, 0.0 15,-0.2 -0.497 25.6-114.1 -94.9 170.0 21.7 1.2 -4.4 34 37 A L S S+ 0 0 0 102,-0.5 14,-2.7 96,-0.3 12,-1.4 0.835 104.9 21.7 -64.2 -35.8 25.1 1.7 -6.1 35 38 A V E S-D 45 0B 0 10,-0.2 2,-0.5 11,-0.2 -1,-0.1 -0.957 80.3-129.5-138.2 149.8 26.9 0.5 -2.9 36 39 A K E -D 44 0B 68 8,-2.6 8,-2.3 -2,-0.3 2,-0.1 -0.904 20.8-124.2-116.1 125.7 25.7 -1.5 0.1 37 40 A Y E -D 43 0B 15 -2,-0.5 2,-0.3 94,-0.3 6,-0.2 -0.387 23.3-157.6 -67.4 143.2 26.1 -0.5 3.7 38 41 A Q > - 0 0 56 4,-2.6 3,-2.7 446,-0.1 445,-0.0 -0.890 29.8-112.1-120.0 151.4 27.9 -2.8 6.1 39 42 A A T 3 S+ 0 0 75 -2,-0.3 -1,-0.1 1,-0.3 4,-0.0 0.790 114.9 64.1 -51.5 -33.2 27.6 -2.9 9.9 40 43 A D T 3 S- 0 0 119 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.517 121.2-106.1 -73.1 -2.6 31.2 -1.7 10.3 41 44 A G S < S+ 0 0 4 -3,-2.7 -2,-0.1 1,-0.4 2,-0.1 0.310 85.5 111.1 99.2 -10.5 30.1 1.6 8.6 42 45 A S - 0 0 49 -5,-0.0 -4,-2.6 85,-0.0 -1,-0.4 -0.410 60.5-130.5 -89.1 170.5 31.7 0.9 5.2 43 46 A V E -D 37 0B 21 -6,-0.2 -6,-0.2 -2,-0.1 85,-0.1 -0.914 17.7-158.3-119.1 151.5 30.0 0.3 1.9 44 47 A I E -D 36 0B 57 -8,-2.3 -8,-2.6 -2,-0.3 4,-0.2 -0.811 36.8 -71.9-122.1 164.2 30.8 -2.5 -0.5 45 48 A P E +D 35 0B 65 0, 0.0 4,-0.2 0, 0.0 -10,-0.2 -0.219 59.6 145.9 -51.9 143.3 30.1 -3.0 -4.2 46 49 A W S S- 0 0 61 2,-1.6 -11,-0.2 -12,-1.4 -12,-0.2 -0.050 80.1 -6.3-141.9-107.5 26.6 -3.5 -5.2 47 50 A L S S+ 0 0 0 -14,-1.5 18,-2.5 17,-0.1 2,-0.5 0.843 135.8 61.5 -62.9 -29.7 25.1 -2.2 -8.5 48 51 A A E S-E 64 0C 0 -14,-2.7 -2,-1.6 16,-0.2 16,-0.3 -0.864 72.3-161.8 -92.7 130.4 28.5 -0.5 -8.8 49 52 A K E S- 0 0 93 14,-2.5 2,-0.3 -2,-0.5 15,-0.2 0.764 70.7 -19.1 -76.0 -31.5 31.5 -2.9 -8.9 50 53 A S E -E 63 0C 54 13,-1.4 13,-2.4 -6,-0.1 2,-0.3 -0.968 60.1-155.5-165.9 171.4 34.0 -0.2 -8.0 51 54 A W E -E 62 0C 66 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.977 2.0-159.0-157.5 161.1 34.6 3.5 -7.8 52 55 A T E -E 61 0C 88 9,-1.6 9,-2.5 -2,-0.3 2,-0.3 -0.924 9.1-151.7-134.5 160.9 37.3 6.2 -7.8 53 56 A H E -E 60 0C 64 -2,-0.3 7,-0.2 7,-0.2 2,-0.0 -0.972 23.0-110.9-132.1 150.2 37.4 9.8 -6.7 54 57 A S > - 0 0 37 5,-2.5 3,-1.5 -2,-0.3 7,-0.0 -0.294 40.4-101.2 -62.7 163.2 39.5 12.7 -7.8 55 58 A E T 3 S+ 0 0 200 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.858 123.5 53.6 -56.0 -37.0 42.2 14.1 -5.5 56 59 A D T 3 S- 0 0 95 1,-0.1 -1,-0.3 65,-0.0 66,-0.1 0.452 110.2-124.1 -83.0 -0.3 39.9 17.0 -4.4 57 60 A G S < S+ 0 0 0 -3,-1.5 66,-0.6 2,-0.2 64,-0.1 0.514 85.4 103.6 78.2 8.0 37.2 14.5 -3.5 58 61 A K + 0 0 80 64,-0.1 61,-3.2 1,-0.1 2,-0.5 0.626 65.7 62.3-101.8 -17.2 34.6 16.2 -5.7 59 62 A T E - F 0 118C 40 59,-0.2 -5,-2.5 2,-0.0 2,-0.4 -0.968 60.8-176.9-110.3 127.2 34.5 13.8 -8.8 60 63 A W E -EF 53 117C 5 57,-3.0 57,-3.0 -2,-0.5 2,-0.5 -0.970 6.4-164.8-123.5 128.2 33.4 10.2 -8.2 61 64 A T E -EF 52 116C 24 -9,-2.5 -9,-1.6 -2,-0.4 2,-0.5 -0.962 5.3-160.8-121.9 116.8 33.4 7.7 -11.0 62 65 A F E -EF 51 115C 0 53,-3.3 53,-2.7 -2,-0.5 2,-0.6 -0.832 9.1-150.0 -99.4 129.4 31.4 4.5 -10.6 63 66 A T E -EF 50 114C 35 -13,-2.4 -14,-2.5 -2,-0.5 -13,-1.4 -0.890 26.6-150.4 -94.6 118.2 32.1 1.4 -12.7 64 67 A L E -E 48 0C 0 49,-2.9 -16,-0.2 -2,-0.6 -17,-0.1 -0.571 17.9-100.9 -92.3 150.9 28.8 -0.5 -12.9 65 68 A R - 0 0 67 -18,-2.5 3,-0.1 -2,-0.2 -1,-0.1 -0.318 25.5-152.1 -51.8 153.1 27.9 -4.1 -13.3 66 69 A D S S+ 0 0 129 1,-0.1 -1,-0.1 11,-0.1 -19,-0.0 0.262 82.8 64.9-115.8 10.9 27.0 -5.0 -16.9 67 70 A D S S+ 0 0 70 8,-0.0 2,-0.4 2,-0.0 -1,-0.1 0.220 72.5 114.1-118.9 9.6 24.7 -7.9 -16.2 68 71 A V - 0 0 1 8,-0.3 8,-3.0 -3,-0.1 2,-0.4 -0.739 38.8-175.4 -94.5 131.7 21.8 -6.2 -14.3 69 72 A K B -H 75 0D 90 -2,-0.4 113,-0.2 111,-0.4 5,-0.1 -0.948 29.1-117.6-118.1 141.4 18.3 -5.9 -15.7 70 73 A F > - 0 0 1 4,-3.2 3,-2.5 -2,-0.4 89,-0.3 -0.279 45.7 -97.6 -59.7 162.1 15.3 -4.1 -14.2 71 74 A S T 3 S+ 0 0 22 87,-2.9 -1,-0.1 1,-0.3 88,-0.1 0.712 125.5 60.0 -65.0 -21.0 12.6 -6.6 -13.4 72 75 A N T 3 S- 0 0 62 86,-0.2 -1,-0.3 2,-0.1 87,-0.1 0.371 122.9-103.5 -85.2 0.0 10.8 -5.7 -16.7 73 76 A G S < S+ 0 0 43 -3,-2.5 -2,-0.1 1,-0.4 -1,-0.0 0.347 78.9 132.7 98.0 -1.3 13.9 -6.9 -18.7 74 77 A E - 0 0 72 1,-0.1 -4,-3.2 -5,-0.1 -1,-0.4 -0.541 61.7-102.5 -77.1 144.8 15.3 -3.5 -19.5 75 78 A P B -H 69 0D 73 0, 0.0 2,-0.6 0, 0.0 -6,-0.3 -0.405 18.5-135.8 -73.6 143.9 19.0 -3.0 -18.8 76 79 A F + 0 0 6 -8,-3.0 -8,-0.3 -2,-0.1 2,-0.3 -0.885 45.7 145.9 -88.0 123.0 20.4 -1.2 -15.9 77 80 A D > - 0 0 28 -2,-0.6 4,-2.6 1,-0.0 5,-0.2 -0.897 64.0 -84.3-146.1-179.7 23.2 1.0 -17.2 78 81 A A H > S+ 0 0 0 34,-2.4 4,-3.2 -2,-0.3 5,-0.2 0.873 124.7 54.0 -59.6 -37.3 24.9 4.3 -16.5 79 82 A E H > S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.931 109.7 47.6 -64.5 -42.5 22.3 6.2 -18.6 80 83 A A H > S+ 0 0 7 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.903 113.8 48.5 -62.9 -42.2 19.5 4.7 -16.6 81 84 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.951 110.7 49.5 -63.0 -46.6 21.3 5.5 -13.3 82 85 A A H X S+ 0 0 10 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.906 107.4 55.8 -60.1 -39.2 22.0 9.1 -14.5 83 86 A E H X S+ 0 0 51 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.911 107.0 50.3 -60.0 -41.6 18.3 9.5 -15.4 84 87 A N H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.932 110.1 48.7 -60.2 -46.0 17.3 8.5 -11.8 85 88 A F H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.928 111.8 50.3 -63.3 -42.3 19.7 11.0 -10.3 86 89 A R H X S+ 0 0 77 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.928 109.3 51.2 -59.3 -45.9 18.3 13.7 -12.6 87 90 A A H < S+ 0 0 0 -4,-2.6 4,-0.4 1,-0.2 62,-0.3 0.884 113.4 44.7 -59.3 -42.5 14.7 12.8 -11.6 88 91 A V H >< S+ 0 0 3 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.939 113.3 49.2 -63.7 -50.0 15.6 13.1 -7.9 89 92 A L H >< S+ 0 0 25 -4,-2.8 3,-1.7 1,-0.3 -2,-0.2 0.770 97.9 67.8 -67.1 -26.0 17.6 16.4 -8.3 90 93 A D T 3< S+ 0 0 71 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.746 109.0 40.2 -57.5 -26.1 14.7 17.9 -10.3 91 94 A N T X S+ 0 0 32 -3,-1.6 3,-1.4 -4,-0.4 4,-0.4 -0.123 78.3 143.3-110.9 29.3 12.9 17.6 -6.9 92 95 A R G X + 0 0 73 -3,-1.7 3,-1.5 1,-0.3 -1,-0.1 0.783 62.5 61.7 -43.1 -42.8 16.0 18.8 -4.9 93 96 A Q G > S+ 0 0 173 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.877 97.2 57.4 -51.2 -45.9 13.9 20.8 -2.3 94 97 A A G < S+ 0 0 67 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.610 112.0 43.0 -64.6 -11.9 12.0 17.7 -1.1 95 98 A H G X S+ 0 0 25 -3,-1.5 3,-2.7 -4,-0.4 6,-0.3 0.180 73.3 118.0-117.7 11.7 15.3 16.1 -0.2 96 99 A A T < + 0 0 43 -3,-1.6 6,-0.1 1,-0.3 -1,-0.1 0.662 66.0 68.7 -69.4 -14.8 17.2 18.9 1.4 97 100 A A T 3 S+ 0 0 110 -4,-0.2 2,-0.7 -3,-0.1 -1,-0.3 0.683 90.0 74.1 -66.3 -21.3 17.5 17.1 4.8 98 101 A L S X> S- 0 0 25 -3,-2.7 3,-0.9 1,-0.1 4,-0.9 -0.870 77.5-151.2 -98.0 115.5 19.8 14.7 3.0 99 102 A E H >> S+ 0 0 59 -2,-0.7 4,-1.2 1,-0.3 3,-0.6 0.826 91.8 63.4 -60.8 -31.1 23.2 16.4 2.4 100 103 A L H >> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 3,-0.7 0.912 97.2 54.9 -57.4 -44.3 23.9 14.4 -0.7 101 104 A A H <4 S+ 0 0 0 -3,-0.9 -1,-0.2 -6,-0.3 -2,-0.2 0.817 113.0 44.5 -62.1 -28.3 20.9 15.9 -2.5 102 105 A N H << S+ 0 0 51 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.612 112.8 52.9 -79.9 -25.1 22.4 19.3 -1.8 103 106 A Q H << S+ 0 0 17 -4,-1.2 17,-2.2 -3,-0.7 2,-0.4 0.729 81.6 97.9 -87.5 -26.8 25.9 18.3 -2.7 104 107 A I E < +G 119 0C 0 -4,-1.9 15,-0.2 15,-0.2 3,-0.1 -0.531 36.6 167.3 -77.7 124.3 25.4 16.9 -6.2 105 108 A V E + 0 0 80 13,-3.0 2,-0.3 -2,-0.4 14,-0.2 0.797 65.1 4.0 -96.4 -42.1 26.2 19.3 -8.9 106 109 A D E -G 118 0C 77 12,-1.5 12,-3.1 2,-0.0 2,-0.4 -0.997 50.8-164.7-151.1 142.4 26.3 17.1 -12.0 107 110 A V E +G 117 0C 28 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -1.000 18.8 175.1-129.2 131.6 25.7 13.5 -13.0 108 111 A K E -G 116 0C 121 8,-2.8 8,-3.0 -2,-0.4 2,-0.8 -0.988 29.8-138.8-142.0 127.5 26.9 12.1 -16.3 109 112 A A E -G 115 0C 17 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.784 19.9-177.9 -80.3 113.7 26.9 8.7 -17.9 110 113 A L - 0 0 93 4,-2.3 2,-0.3 -2,-0.8 5,-0.2 0.727 69.3 -20.8 -82.3 -27.4 30.4 8.5 -19.6 111 114 A S S S- 0 0 56 3,-1.2 3,-0.5 0, 0.0 -1,-0.2 -0.891 87.2 -75.5-161.4-176.3 29.7 5.0 -21.1 112 115 A K S S+ 0 0 145 -2,-0.3 -34,-2.4 1,-0.2 -33,-0.1 0.763 133.1 30.5 -62.0 -25.9 27.3 2.2 -20.4 113 116 A T S S+ 0 0 45 -36,-0.2 -49,-2.9 -35,-0.1 2,-0.5 0.386 105.6 79.1-115.1 -0.8 29.3 1.2 -17.4 114 117 A E E -F 63 0C 53 -3,-0.5 -4,-2.3 -51,-0.2 -3,-1.2 -0.952 50.7-179.1-122.7 118.4 30.8 4.5 -16.2 115 118 A L E -FG 62 109C 0 -53,-2.7 -53,-3.3 -2,-0.5 2,-0.5 -0.963 9.5-160.2-119.5 122.6 28.8 6.9 -14.1 116 119 A Q E -FG 61 108C 49 -8,-3.0 -8,-2.8 -2,-0.5 2,-0.4 -0.887 6.2-172.4-111.0 131.2 30.3 10.2 -12.9 117 120 A I E -FG 60 107C 0 -57,-3.0 -57,-3.0 -2,-0.5 2,-0.5 -0.986 7.3-158.9-122.7 126.9 29.0 12.2 -10.1 118 121 A T E -FG 59 106C 33 -12,-3.1 -13,-3.0 -2,-0.4 -12,-1.5 -0.916 9.5-160.7-110.5 128.1 30.4 15.7 -9.3 119 122 A L E - G 0 104C 2 -61,-3.2 -15,-0.2 -2,-0.5 -16,-0.1 -0.699 26.9-125.4-106.9 157.5 29.9 17.2 -5.8 120 123 A K S S+ 0 0 106 -17,-2.2 2,-0.3 -2,-0.2 -16,-0.1 0.715 92.7 0.6 -68.1 -23.8 30.1 20.8 -4.6 121 124 A S S S- 0 0 40 -18,-0.2 2,-0.4 -64,-0.1 -1,-0.1 -0.953 93.4 -73.0-155.7 165.2 32.7 19.8 -2.0 122 125 A A + 0 0 25 -2,-0.3 -64,-0.1 -66,-0.1 -65,-0.1 -0.604 55.1 163.0 -65.6 122.5 34.7 16.9 -0.6 123 126 A Y > - 0 0 6 -66,-0.6 3,-2.4 -2,-0.4 314,-0.2 -0.602 13.7-179.5-146.5 80.3 32.0 15.0 1.3 124 127 A Y T > S+ 0 0 28 312,-1.5 3,-1.2 1,-0.3 4,-0.3 0.778 76.4 69.6 -63.4 -26.1 33.4 11.5 1.9 125 128 A P T >> S+ 0 0 6 0, 0.0 4,-1.6 0, 0.0 3,-0.6 0.521 70.9 102.6 -68.0 -2.1 30.2 10.3 3.7 126 129 A F H <> S+ 0 0 0 -3,-2.4 4,-2.1 1,-0.2 5,-0.2 0.838 75.1 56.1 -37.4 -44.5 28.6 10.5 0.2 127 130 A L H <> S+ 0 0 25 -3,-1.2 4,-1.1 1,-0.2 -1,-0.2 0.899 103.1 51.3 -68.3 -41.6 29.0 6.7 -0.0 128 131 A Q H <4 S+ 0 0 18 -3,-0.6 -1,-0.2 -4,-0.3 4,-0.2 0.844 110.4 50.8 -62.2 -32.7 27.0 6.0 3.1 129 132 A E H >< S+ 0 0 5 -4,-1.6 3,-1.3 1,-0.2 7,-0.3 0.857 103.8 57.1 -77.6 -31.9 24.2 8.2 1.9 130 133 A L H 3< S+ 0 0 1 -4,-2.1 -96,-0.3 1,-0.2 -1,-0.2 0.791 102.2 58.9 -62.2 -27.9 24.1 6.5 -1.5 131 134 A A T 3< S+ 0 0 1 -4,-1.1 -94,-0.3 -5,-0.2 -1,-0.2 0.552 81.3 112.9 -79.0 -9.6 23.5 3.3 0.5 132 135 A L S < S- 0 0 27 -3,-1.3 4,-0.1 -4,-0.2 -3,-0.0 -0.210 82.4-112.6 -59.8 154.1 20.2 4.6 2.1 133 136 A P S S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -102,-0.1 0.804 89.5 70.9 -54.2 -32.5 16.9 3.0 1.2 134 137 A A S S- 0 0 24 2,-0.1 -117,-0.1 -5,-0.1 -2,-0.1 -0.982 93.2 -9.0-149.6 156.3 16.0 6.3 -0.5 135 138 A P S S+ 0 0 5 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 -0.984 109.2 62.8-102.1 1.4 16.2 8.3 -2.6 136 139 A F S S+ 0 0 4 -7,-0.3 -102,-0.5 -4,-0.1 2,-0.3 -0.218 78.5 108.7 -92.4 53.1 19.3 7.2 -4.7 137 140 A R - 0 0 9 -2,-1.2 2,-0.5 -121,-0.2 -106,-0.1 -0.779 67.9 -99.1-124.1 166.9 17.9 3.9 -5.8 138 141 A F + 0 0 1 -106,-1.0 21,-0.4 -2,-0.3 2,-0.3 -0.804 29.6 175.3-114.2 120.9 16.9 2.9 -9.3 139 142 A I - 0 0 0 -2,-0.5 19,-0.2 -59,-0.2 -55,-0.1 -0.804 50.5 -93.6-103.1 144.7 13.5 2.6 -11.1 140 143 A A > - 0 0 0 17,-2.3 3,-2.4 -2,-0.3 17,-0.2 -0.449 33.0-133.8 -54.4 125.2 13.5 1.7 -14.9 141 144 A P G > S+ 0 0 37 0, 0.0 3,-1.9 0, 0.0 6,-0.2 0.770 102.0 71.7 -58.8 -22.3 13.3 5.1 -16.7 142 145 A S G 3 S+ 0 0 47 1,-0.3 -2,-0.1 5,-0.0 5,-0.1 0.701 94.0 58.4 -60.2 -19.7 10.6 3.8 -18.9 143 146 A Q G < S+ 0 0 32 -3,-2.4 11,-2.8 14,-0.1 -1,-0.3 0.358 78.9 110.6 -96.7 1.0 8.4 4.1 -15.8 144 147 A F E < S-I 153 0E 8 -3,-1.9 2,-0.6 9,-0.2 3,-0.3 -0.463 74.2-120.7 -63.4 151.9 8.9 7.7 -15.2 145 148 A K E > S-I 148 0E 102 3,-2.1 3,-1.2 7,-1.1 6,-0.2 -0.909 87.4 -23.0 -98.6 115.6 5.9 9.9 -15.9 146 149 A N T 3 S- 0 0 143 -2,-0.6 -1,-0.2 1,-0.2 3,-0.1 0.922 127.4 -51.0 45.9 52.1 6.7 12.4 -18.6 147 150 A H T 3 S+ 0 0 126 -3,-0.3 2,-0.3 -6,-0.2 -1,-0.2 0.647 123.9 85.0 67.4 19.5 10.5 12.1 -17.9 148 151 A E E < -I 145 0E 48 -3,-1.2 -3,-2.1 4,-0.2 -1,-0.2 -0.887 54.1-162.2-135.7 166.0 10.1 12.7 -14.1 149 152 A T E > S+ 0 0 0 -62,-0.3 3,-2.1 -2,-0.3 -132,-0.1 0.458 82.4 78.9-113.9 -16.3 9.4 10.8 -10.9 150 153 A M E 3 S+ 0 0 52 1,-0.3 3,-0.1 -63,-0.3 -135,-0.0 0.732 97.8 45.7 -68.9 -22.2 8.5 13.7 -8.7 151 154 A N E 3 S- 0 0 117 1,-0.4 -1,-0.3 -6,-0.2 2,-0.1 0.157 129.7 -75.3-101.3 13.8 5.0 13.8 -10.3 152 155 A G E < - 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