==== 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 SIGNALING PROTEIN 31-MAR-10 3MEM . COMPND 2 MOLECULE: PUTATIVE SIGNAL TRANSDUCTION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MARINOBACTER AQUAEOLEI; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 453 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20410.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 5.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 16 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 41.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.2 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 1 1 2 2 2 2 2 3 3 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 PARALLEL BRIDGES PER LADDER . 0 2 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 2 A E 0 0 135 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -69.7 112.6 27.0 5.5 2 3 A L - 0 0 25 1,-0.1 5,-0.1 2,-0.1 17,-0.0 -0.385 360.0 -98.6 -76.2 142.5 115.3 28.7 7.8 3 4 A P >> - 0 0 45 0, 0.0 4,-2.3 0, 0.0 3,-0.9 -0.203 36.3-117.1 -56.1 143.0 114.5 31.2 10.6 4 5 A V H 3> S+ 0 0 122 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.818 113.1 54.8 -57.1 -34.9 115.0 34.8 9.4 5 6 A V H 3> S+ 0 0 46 76,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.865 109.1 47.0 -66.6 -35.6 117.9 35.5 11.9 6 7 A V H <> S+ 0 0 0 -3,-0.9 4,-2.6 2,-0.2 5,-0.2 0.937 110.9 52.1 -71.7 -45.7 119.9 32.5 10.6 7 8 A Q H X S+ 0 0 104 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.957 109.6 49.8 -50.0 -51.9 119.3 33.5 7.0 8 9 A Q H < S+ 0 0 163 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.894 111.3 49.7 -55.3 -39.2 120.6 37.0 7.9 9 10 A A H < S+ 0 0 6 -4,-1.6 82,-0.3 1,-0.2 -1,-0.2 0.838 111.5 47.6 -72.4 -35.1 123.6 35.4 9.5 10 11 A L H >< S+ 0 0 9 -4,-2.6 3,-1.9 -3,-0.2 -1,-0.2 0.845 81.6 169.5 -71.8 -35.0 124.4 33.2 6.5 11 12 A G T 3< S- 0 0 45 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 -0.305 70.6 -40.1 54.1-139.3 124.1 36.0 4.0 12 13 A D T 3 S+ 0 0 170 1,-0.2 -1,-0.2 3,-0.0 -2,-0.1 0.184 121.4 93.0-101.2 17.8 125.3 34.9 0.5 13 14 A N S < S+ 0 0 66 -3,-1.9 117,-0.2 1,-0.2 116,-0.2 0.378 75.5 59.7 -92.8 -0.2 128.3 33.0 2.1 14 15 A A > + 0 0 14 -3,-0.3 3,-0.8 -4,-0.1 -1,-0.2 -0.620 45.5 150.2-134.1 79.0 126.6 29.5 2.3 15 16 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.769 80.0 51.5 -75.7 -27.0 125.4 28.1 -1.0 16 17 A G T 3 S+ 0 0 37 107,-0.1 2,-0.2 2,-0.1 105,-0.1 0.100 77.5 135.8 -96.1 19.7 126.0 24.5 0.2 17 18 A V < - 0 0 42 -3,-0.8 2,-0.5 105,-0.2 105,-0.2 -0.494 37.4-162.0 -72.5 132.7 124.0 24.8 3.5 18 19 A S E -A 121 0A 42 103,-2.9 103,-2.0 -2,-0.2 2,-1.1 -0.953 6.2-156.9-124.2 110.6 121.6 21.9 4.2 19 20 A F E +A 120 0A 65 -2,-0.5 2,-0.2 101,-0.2 101,-0.2 -0.727 40.1 137.9 -94.0 92.3 118.8 22.4 6.7 20 21 A R E -A 119 0A 108 99,-1.4 99,-2.6 -2,-1.1 2,-0.3 -0.742 60.3 -77.3-130.4 168.2 117.9 18.9 7.9 21 22 A S E -A 118 0A 63 97,-0.2 97,-0.3 -2,-0.2 2,-0.2 -0.582 54.1-110.4 -65.6 128.0 117.1 17.0 11.1 22 23 A V + 0 0 32 95,-2.2 2,-0.2 -2,-0.3 -1,-0.1 -0.456 60.1 155.3 -60.7 132.8 120.3 16.3 13.2 23 24 A S - 0 0 69 2,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 -0.676 55.4 -47.6-147.3-169.0 120.8 12.5 12.8 24 25 A Q S S+ 0 0 108 -2,-0.2 2,-0.5 2,-0.1 3,-0.2 0.522 89.4 115.8 -55.3 -12.7 123.1 9.5 12.9 25 26 A I S S- 0 0 63 1,-0.2 -2,-0.3 2,-0.1 4,-0.2 -0.587 94.6 -68.5 -58.2 118.9 125.5 11.5 10.6 26 27 A D > - 0 0 48 -2,-0.5 3,-1.6 1,-0.2 4,-0.2 0.454 26.9-140.5 -30.9 137.1 128.3 11.6 13.3 27 28 A T G > S+ 0 0 76 1,-0.2 3,-1.0 -3,-0.2 23,-0.3 0.631 102.9 77.8 -58.0 -18.4 128.1 13.6 16.5 28 29 A G G 3 S+ 0 0 31 1,-0.2 -1,-0.2 21,-0.1 -2,-0.1 0.469 84.0 58.3 -72.5 -5.8 131.7 14.1 15.4 29 30 A H G < S+ 0 0 75 -3,-1.6 81,-3.1 -4,-0.2 -1,-0.2 0.504 82.4 111.1 -97.8 -6.2 130.7 16.7 12.8 30 31 A L B < -b 110 0A 9 -3,-1.0 19,-2.8 79,-0.2 20,-0.3 -0.436 50.4-157.6 -78.7 141.0 129.0 19.1 15.3 31 32 A L E -D 48 0B 7 79,-2.4 81,-0.4 17,-0.3 2,-0.3 -0.711 2.1-159.9-108.7 166.3 130.4 22.5 16.2 32 33 A R E -D 47 0B 16 15,-2.0 15,-2.3 -2,-0.3 2,-0.5 -0.991 5.9-152.4-149.5 133.1 129.8 24.6 19.3 33 34 A X E -D 46 0B 11 53,-0.5 2,-0.4 -2,-0.3 13,-0.2 -0.979 12.7-157.4-112.7 127.1 130.3 28.4 19.8 34 35 A V E -D 45 0B 14 11,-2.7 11,-2.4 -2,-0.5 2,-0.5 -0.907 11.7-136.0-107.6 134.6 131.0 29.5 23.4 35 36 A L E +D 44 0B 5 -2,-0.4 34,-2.5 9,-0.2 2,-0.3 -0.767 33.8 173.8 -92.2 124.7 130.3 33.1 24.5 36 37 A L E +DE 43 68B 0 7,-2.8 7,-2.4 -2,-0.5 2,-0.3 -0.856 9.4 177.5-126.7 164.2 133.1 34.5 26.5 37 38 A S E +DE 42 67B 21 30,-2.4 30,-1.5 -2,-0.3 2,-0.2 -0.989 11.2 170.1-158.9 164.6 134.1 37.8 28.1 38 39 A D E > -D 41 0B 27 3,-1.7 3,-1.6 -2,-0.3 28,-0.1 -0.810 60.9 -69.1-149.8-168.1 136.6 39.7 30.2 39 40 A D T 3 S+ 0 0 144 1,-0.3 3,-0.1 -2,-0.2 27,-0.0 0.763 129.3 57.2 -61.7 -28.9 137.2 43.4 31.1 40 41 A Q T 3 S- 0 0 132 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.566 118.9 -96.0 -78.7 -9.9 138.4 44.1 27.5 41 42 A G E < -D 38 0B 28 -3,-1.6 -3,-1.7 2,-0.0 -1,-0.3 -0.813 53.2 -30.0 130.0-169.1 135.0 42.9 26.0 42 43 A N E +D 37 0B 38 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.543 44.9 174.9 -95.9 150.2 133.2 40.0 24.4 43 44 A L E -D 36 0B 9 -7,-2.4 -7,-2.8 -2,-0.2 2,-0.4 -0.975 19.1-145.6-155.3 141.0 134.5 37.1 22.3 44 45 A Q E -Df 35 97B 0 52,-2.9 54,-2.3 -2,-0.3 2,-0.5 -0.906 11.7-159.7-113.9 134.1 133.1 33.9 20.8 45 46 A A E -Df 34 98B 0 -11,-2.4 -11,-2.7 -2,-0.4 2,-0.5 -0.953 4.6-156.0-116.6 127.8 135.1 30.7 20.5 46 47 A I E +Df 33 99B 0 52,-2.9 54,-2.3 -2,-0.5 2,-0.3 -0.900 26.0 148.9-109.6 130.8 134.2 28.0 18.0 47 48 A C E -D 32 0B 0 -15,-2.3 -15,-2.0 -2,-0.5 2,-0.1 -0.945 54.2 -69.0-149.7 166.5 135.3 24.4 18.6 48 49 A R E > -D 31 0B 46 -2,-0.3 3,-1.4 -17,-0.2 -17,-0.3 -0.427 50.2-121.9 -60.4 138.8 134.2 20.8 17.9 49 50 A R T 3 S+ 0 0 73 -19,-2.8 -18,-0.1 1,-0.3 -1,-0.1 0.882 107.9 42.2 -49.6 -52.8 131.2 20.1 20.1 50 51 A N T 3 S+ 0 0 58 -20,-0.3 93,-0.3 -23,-0.3 -1,-0.3 0.492 95.0 99.0 -82.6 -5.3 132.6 17.1 22.0 51 52 A D S < S- 0 0 5 -3,-1.4 2,-0.4 91,-0.1 91,-0.2 -0.464 76.3-117.6 -75.0 160.3 136.1 18.7 22.5 52 53 A X E -H 141 0C 2 89,-2.4 89,-3.2 -2,-0.1 2,-0.4 -0.842 23.3-128.8-100.4 131.2 137.0 20.4 25.8 53 54 A L E -H 140 0C 0 -2,-0.4 2,-0.9 87,-0.2 87,-0.2 -0.679 12.5-151.7 -83.3 126.4 137.7 24.1 25.7 54 55 A D > - 0 0 27 85,-3.4 4,-2.0 -2,-0.4 3,-0.2 -0.824 14.9-178.7 -99.9 89.2 141.1 24.9 27.4 55 56 A L H > S+ 0 0 14 -2,-0.9 4,-3.6 1,-0.2 5,-0.2 0.854 80.6 58.6 -54.9 -43.7 140.5 28.5 28.5 56 57 A E H > S+ 0 0 87 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.934 108.0 45.9 -52.2 -46.7 144.0 28.7 29.9 57 58 A A H > S+ 0 0 27 -3,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.919 115.0 47.0 -65.9 -45.8 145.4 27.9 26.5 58 59 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 81,-0.3 -2,-0.2 0.905 112.4 49.7 -62.9 -45.3 143.1 30.4 24.8 59 60 A N H X>S+ 0 0 18 -4,-3.6 5,-2.0 2,-0.2 4,-1.7 0.942 112.4 45.3 -63.4 -49.3 143.8 33.2 27.3 60 61 A K H <5S+ 0 0 162 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.928 113.4 53.1 -55.1 -45.2 147.6 32.9 27.1 61 62 A R H <5S+ 0 0 149 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.854 119.9 30.7 -61.1 -37.4 147.3 32.8 23.4 62 63 A L H <5S- 0 0 52 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.481 104.9-119.4-100.5 -8.1 145.3 36.0 23.1 63 64 A G T <5S+ 0 0 59 -4,-1.7 -3,-0.2 -3,-0.3 2,-0.2 0.909 74.4 119.0 66.3 42.7 146.7 37.8 26.2 64 65 A R < - 0 0 48 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.621 67.6-131.6-129.5-176.9 143.3 37.9 27.8 65 66 A D + 0 0 115 -2,-0.2 -26,-0.1 -3,-0.1 -28,-0.1 -0.317 42.6 170.0-136.8 47.9 141.3 36.7 30.9 66 67 A L + 0 0 4 -11,-0.2 2,-0.3 -28,-0.1 -28,-0.2 -0.216 5.8 164.8 -65.8 149.8 138.2 35.3 29.3 67 68 A R E -E 37 0B 117 -30,-1.5 -30,-2.4 269,-0.0 3,-0.1 -0.925 52.2 -52.5-153.6 169.3 135.6 33.3 31.1 68 69 A X E -E 36 0B 31 -2,-0.3 -32,-0.3 265,-0.2 3,-0.1 -0.245 67.7-105.7 -47.7 131.0 132.0 32.2 30.4 69 70 A X - 0 0 0 -34,-2.5 -1,-0.1 1,-0.1 -34,-0.1 -0.345 48.0 -87.6 -59.0 141.3 129.9 35.2 29.5 70 71 A Q >> - 0 0 146 1,-0.1 4,-1.5 -3,-0.1 3,-1.0 -0.295 36.5-121.9 -55.4 135.7 127.6 36.3 32.3 71 72 A R H 3> S+ 0 0 147 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.826 107.8 58.2 -48.6 -45.8 124.3 34.4 32.1 72 73 A R H 3> S+ 0 0 214 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.878 107.7 46.8 -55.2 -43.1 122.2 37.5 31.9 73 74 A E H <> S+ 0 0 59 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.829 111.6 50.6 -72.9 -30.4 124.0 38.6 28.7 74 75 A Q H X S+ 0 0 21 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.913 109.6 51.0 -75.5 -37.7 123.7 35.2 27.1 75 76 A V H X S+ 0 0 59 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.911 110.4 51.1 -59.9 -42.4 120.0 35.1 27.9 76 77 A R H X S+ 0 0 119 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.927 111.1 44.7 -62.7 -49.3 119.7 38.5 26.3 77 78 A V H X S+ 0 0 11 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.911 116.9 45.8 -70.0 -37.1 121.5 37.6 23.1 78 79 A R H X>S+ 0 0 36 -4,-2.4 5,-1.8 2,-0.2 4,-0.9 0.830 109.5 53.8 -71.3 -34.8 119.7 34.3 22.6 79 80 A Q H ><5S+ 0 0 159 -4,-2.5 3,-0.5 -5,-0.2 -2,-0.2 0.918 109.0 50.0 -66.5 -37.9 116.2 35.7 23.4 80 81 A K H 3<5S+ 0 0 170 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.916 112.2 46.9 -66.5 -42.5 116.7 38.4 20.7 81 82 A A H 3<5S- 0 0 18 -4,-1.8 -1,-0.3 -5,-0.2 -76,-0.2 0.653 106.1-130.8 -71.5 -13.5 117.7 35.7 18.2 82 83 A G T <<5 + 0 0 55 -4,-0.9 2,-0.3 -3,-0.5 -3,-0.2 0.769 65.9 125.3 68.0 26.7 114.8 33.5 19.2 83 84 A L < - 0 0 8 -5,-1.8 -1,-0.2 1,-0.1 31,-0.1 -0.904 63.3-142.7-122.0 146.1 117.1 30.5 19.6 84 85 A Q S S+ 0 0 147 29,-0.7 2,-0.3 -2,-0.3 30,-0.2 0.775 96.1 12.8 -76.0 -27.8 117.7 28.1 22.6 85 86 A E S S- 0 0 74 28,-0.5 -1,-0.3 -7,-0.1 30,-0.1 -0.983 83.3-119.2-146.0 138.4 121.4 28.0 21.7 86 87 A L - 0 0 7 -2,-0.3 -53,-0.5 -53,-0.1 26,-0.1 -0.687 32.0-139.2 -79.6 122.1 123.4 30.2 19.3 87 88 A P - 0 0 3 0, 0.0 2,-2.7 0, 0.0 5,-0.1 -0.310 37.1 -81.4 -73.5 169.7 124.9 28.1 16.6 88 89 A A S S+ 0 0 2 -57,-0.1 -56,-0.1 24,-0.1 -42,-0.0 -0.337 86.0 123.2 -76.2 60.6 128.4 28.7 15.3 89 90 A L > - 0 0 0 -2,-2.7 3,-1.8 1,-0.1 4,-0.4 -0.959 48.1-158.1-119.5 106.3 127.6 31.6 13.0 90 91 A P G >> S+ 0 0 14 0, 0.0 4,-2.1 0, 0.0 3,-1.3 0.802 84.3 62.5 -59.7 -36.3 129.7 34.6 14.0 91 92 A S G 34 S+ 0 0 73 -82,-0.3 -81,-0.1 1,-0.3 -83,-0.0 0.552 79.9 84.3 -71.8 -6.0 127.6 37.3 12.5 92 93 A L G <4 S+ 0 0 33 -3,-1.8 -1,-0.3 1,-0.2 -4,-0.0 0.929 118.0 8.5 -56.7 -39.2 124.7 36.4 14.8 93 94 A T T <4 S- 0 0 30 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.2 0.660 89.5-138.0-110.8 -24.9 126.5 38.7 17.3 94 95 A G < + 0 0 61 -4,-2.1 -3,-0.2 1,-0.2 3,-0.1 0.481 54.4 144.4 75.2 3.7 129.2 40.3 15.3 95 96 A W - 0 0 45 -5,-0.4 -1,-0.2 1,-0.1 -52,-0.1 -0.244 64.3 -79.7 -73.0 156.0 131.6 39.8 18.3 96 97 A P - 0 0 78 0, 0.0 -52,-2.9 0, 0.0 2,-0.3 -0.340 58.2-161.1 -54.8 141.0 135.2 38.9 17.8 97 98 A T E -f 44 0B 17 -54,-0.2 38,-0.9 36,-0.2 2,-0.3 -0.949 18.0-170.2-135.2 142.4 135.5 35.2 17.0 98 99 A V E -fg 45 135B 4 -54,-2.3 -52,-2.9 -2,-0.3 2,-0.4 -0.963 10.4-150.7-130.3 153.6 138.2 32.5 17.1 99 100 A V E -fg 46 136B 0 36,-2.4 38,-1.6 -2,-0.3 2,-0.2 -0.986 18.0-127.6-123.8 131.0 138.2 29.0 15.7 100 101 A D E >> - g 0 137B 2 -54,-2.3 3,-1.8 -2,-0.4 4,-0.6 -0.585 27.9-120.8 -71.9 139.9 140.2 26.1 17.1 101 102 A R H 3> S+ 0 0 114 36,-1.6 4,-0.7 1,-0.3 3,-0.5 0.728 106.5 69.6 -64.1 -22.4 142.2 24.4 14.4 102 103 A R H >> S+ 0 0 53 1,-0.2 3,-1.0 2,-0.2 4,-0.5 0.864 90.3 64.8 -59.3 -29.2 140.6 21.0 14.8 103 104 A V H X4 S+ 0 0 1 -3,-1.8 3,-1.2 1,-0.3 -1,-0.2 0.892 97.7 54.3 -62.3 -39.2 137.4 22.5 13.3 104 105 A D H 3< S+ 0 0 49 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.703 93.6 69.1 -71.9 -17.7 139.1 23.1 10.0 105 106 A E H << S+ 0 0 138 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.725 81.2 95.1 -71.3 -21.7 140.2 19.4 9.7 106 107 A L << - 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0 0 63 -4,-1.9 2,-0.2 -5,-0.3 3,-0.1 -0.635 53.2-177.3 -79.3 129.9 126.8 -2.2 62.0 199 200 A P + 0 0 127 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 -0.603 53.3 105.4-115.6 70.3 123.2 -3.7 61.7 200 201 A N S S- 0 0 135 -5,-0.2 2,-0.2 -2,-0.2 -5,-0.0 0.754 70.8 -12.2-120.3 -35.9 123.0 -5.0 65.3 201 202 A A - 0 0 71 1,-0.2 -1,-0.1 -6,-0.1 -3,-0.0 -0.767 69.9 -5.3-157.8-158.5 120.7 -2.9 67.6 202 203 A V >> - 0 0 53 -2,-0.2 4,-0.8 1,-0.1 3,-0.6 0.364 36.0-128.1 -63.6 160.1 118.5 -0.0 68.7 203 204 A X H 3> S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 3,-0.5 0.816 111.3 66.3 -50.2 -42.9 117.2 3.5 67.9 204 205 A G H 3> S+ 0 0 30 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.713 91.7 60.5 -62.8 -24.1 118.4 4.3 71.4 205 206 A D H <> S+ 0 0 59 -3,-0.6 4,-1.8 2,-0.2 -1,-0.3 0.893 107.5 45.0 -65.7 -43.2 122.0 3.7 70.3 206 207 A L H X S+ 0 0 2 -4,-0.8 4,-2.6 -3,-0.5 -2,-0.2 0.924 110.6 53.5 -67.4 -43.7 121.6 6.5 67.7 207 208 A V H X S+ 0 0 7 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.915 107.2 53.1 -56.3 -42.0 119.9 8.8 70.3 208 209 A D H X S+ 0 0 91 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.921 109.0 48.4 -58.0 -48.5 122.9 8.2 72.6 209 210 A V H >X S+ 0 0 6 -4,-1.8 4,-1.1 1,-0.2 3,-1.0 0.945 111.7 48.8 -57.0 -51.6 125.3 9.3 69.9 210 211 A V H 3< S+ 0 0 1 -4,-2.6 7,-0.7 1,-0.3 3,-0.5 0.885 109.5 53.2 -60.6 -37.7 123.3 12.4 69.1 211 212 A E H 3< S+ 0 0 106 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.701 102.8 58.7 -71.4 -18.6 123.1 13.3 72.8 212 213 A S H << S+ 0 0 59 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.774 102.3 55.1 -76.9 -31.2 126.9 13.1 73.2 213 214 A D S X S- 0 0 14 -4,-1.1 4,-2.8 -3,-0.5 3,-0.3 -0.870 72.3-167.7-105.1 95.6 127.6 15.8 70.5 214 215 A P H > S+ 0 0 103 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.802 86.1 53.2 -62.1 -30.2 125.6 18.8 71.7 215 216 A S H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.918 111.7 46.1 -67.2 -43.5 125.9 20.7 68.4 216 217 A L H > S+ 0 0 1 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.939 111.7 52.1 -59.4 -48.1 124.5 17.6 66.5 217 218 A A H X S+ 0 0 16 -4,-2.8 4,-1.9 -7,-0.7 -2,-0.2 0.866 109.4 51.8 -54.0 -38.1 121.7 17.4 69.2 218 219 A A H X S+ 0 0 58 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.960 112.9 41.6 -65.3 -53.5 121.0 21.1 68.5 219 220 A Q H X S+ 0 0 56 -4,-2.4 4,-4.2 2,-0.2 -2,-0.2 0.846 111.8 55.7 -61.7 -39.4 120.7 20.7 64.7 220 221 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.942 111.7 42.9 -60.7 -47.3 118.7 17.5 64.9 221 222 A V H X S+ 0 0 44 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.910 115.8 51.0 -66.6 -40.7 116.2 19.2 67.1 222 223 A S H >X S+ 0 0 62 -4,-2.6 3,-1.3 2,-0.2 4,-1.2 0.989 109.1 49.5 -53.3 -65.2 116.3 22.2 64.8 223 224 A W H >< S+ 0 0 4 -4,-4.2 3,-1.0 1,-0.3 6,-0.4 0.874 113.4 47.8 -39.8 -52.5 115.7 20.0 61.7 224 225 A A H 3< S+ 0 0 0 -4,-2.4 -1,-0.3 1,-0.2 8,-0.2 0.774 115.7 42.4 -64.8 -31.8 112.8 18.4 63.4 225 226 A S H << S+ 0 0 64 -4,-1.8 -1,-0.2 -3,-1.3 -2,-0.2 0.400 93.2 106.3 -99.8 4.3 111.1 21.6 64.5 226 227 A S S 4 S+ 0 0 46 -6,-0.4 3,-2.9 -3,-0.3 -1,-0.2 0.386 89.8 117.9-107.2 1.0 108.9 19.2 59.1 230 231 A A G >< + 0 0 51 -4,-0.9 3,-1.1 1,-0.3 -2,-0.1 0.693 57.4 80.8 -44.9 -28.3 106.7 21.6 61.1 231 232 A A G 3 S+ 0 0 112 -4,-0.4 -1,-0.3 1,-0.2 -4,-0.1 0.590 82.2 71.2 -52.9 -12.3 103.7 19.3 60.3 232 233 A A G < S- 0 0 30 -3,-2.9 2,-0.4 -8,-0.2 -1,-0.2 0.926 89.1-156.9 -67.0 -52.2 105.2 17.4 63.3 233 234 A G < + 0 0 47 -3,-1.1 2,-0.4 -4,-0.2 -1,-0.2 -0.850 55.0 18.7 108.0-144.0 104.2 19.8 66.0 234 235 A R - 0 0 72 -2,-0.4 2,-0.8 1,-0.1 -9,-0.0 -0.537 69.2-145.6 -68.3 117.0 105.9 20.2 69.5 235 236 A V - 0 0 32 -2,-0.4 -1,-0.1 1,-0.1 -10,-0.1 -0.802 18.0-175.3 -86.4 111.1 109.4 18.6 69.3 236 237 A H - 0 0 147 -2,-0.8 2,-0.3 1,-0.1 -1,-0.1 0.852 51.8 -29.9 -79.3 -39.0 110.0 17.1 72.8 237 238 A S > - 0 0 51 1,-0.1 4,-1.8 -16,-0.0 -1,-0.1 -0.871 68.8 -81.3-162.9-177.4 113.5 15.7 72.9 238 239 A V H > S+ 0 0 16 -2,-0.3 4,-2.3 2,-0.2 5,-0.3 0.910 127.0 54.1 -69.7 -44.1 116.3 14.2 70.7 239 240 A H H > S+ 0 0 94 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.928 110.5 48.3 -53.3 -43.8 114.6 10.8 71.0 240 241 A D H >>S+ 0 0 20 1,-0.2 4,-1.8 2,-0.2 5,-1.3 0.895 109.2 50.9 -66.4 -43.0 111.5 12.4 69.7 241 242 A A H <>S+ 0 0 0 -4,-1.8 5,-2.9 3,-0.2 6,-0.4 0.898 118.8 37.6 -59.8 -43.6 113.2 14.2 66.8 242 243 A V H <>S+ 0 0 0 -4,-2.3 5,-1.9 4,-0.2 -2,-0.2 0.948 122.9 36.7 -77.2 -53.4 114.9 11.0 65.5 243 244 A S H <5S+ 0 0 57 -4,-2.7 -3,-0.2 -5,-0.3 5,-0.2 0.809 131.7 22.5 -75.0 -29.1 112.3 8.3 66.1 244 245 A R T <5S+ 0 0 118 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.1 0.867 129.5 26.2-104.6 -48.9 109.1 10.3 65.2 245 246 A V T < - 0 0 23 -5,-1.9 4,-2.2 -6,-0.4 5,-0.2 -0.176 18.7 -88.7 114.8 151.1 113.8 8.9 61.1 248 249 A F H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.920 119.4 38.9 -56.3 -61.8 116.7 6.6 62.0 249 250 A D H > S+ 0 0 53 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.898 114.7 54.0 -60.9 -43.7 118.6 6.3 58.7 250 251 A L H > S+ 0 0 30 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.962 111.2 45.1 -59.8 -49.3 118.1 9.9 57.7 251 252 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.894 113.7 49.7 -62.2 -40.8 119.6 11.2 61.0 252 253 A X H X S+ 0 0 2 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.903 115.4 44.1 -61.9 -40.8 122.5 8.7 60.8 253 254 A N H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.947 115.4 44.3 -74.6 -47.4 123.2 9.7 57.2 254 255 A L H X S+ 0 0 3 -4,-3.2 4,-2.5 -5,-0.2 5,-0.2 0.909 113.2 53.9 -62.9 -40.9 122.9 13.5 57.6 255 256 A A H X S+ 0 0 3 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.884 109.7 47.4 -55.8 -46.7 124.9 13.3 60.9 256 257 A X H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.888 109.5 54.1 -63.2 -42.1 127.7 11.5 59.0 257 258 A G H X S+ 0 0 4 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.917 111.4 44.2 -60.2 -42.8 127.6 14.0 56.3 258 259 A L H X S+ 0 0 22 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.919 112.9 52.3 -69.9 -40.8 128.0 16.9 58.7 259 260 A A H >< S+ 0 0 5 -4,-2.3 3,-1.0 1,-0.2 4,-0.5 0.928 108.5 48.1 -62.1 -49.7 130.8 15.2 60.6 260 261 A L H 3< S+ 0 0 1 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.830 113.6 50.0 -64.0 -26.8 132.9 14.3 57.6 261 262 A G H >< S+ 0 0 23 -4,-1.2 3,-1.1 -5,-0.2 -1,-0.2 0.499 88.2 76.5 -90.6 -6.2 132.6 18.0 56.3 262 263 A R T << S+ 0 0 118 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.1 0.700 87.9 66.0 -71.9 -22.2 133.5 19.9 59.6 263 264 A A T 3 S+ 0 0 25 -4,-0.5 2,-0.3 -3,-0.4 -1,-0.2 0.544 100.1 66.3 -68.6 -11.4 137.1 18.9 58.7 264 265 A L S < S- 0 0 21 -3,-1.1 2,-0.1 -82,-0.1 55,-0.1 -0.846 75.2-125.5-126.7 147.4 136.9 21.1 55.6 265 266 A K - 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0 0 11 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.2 -0.812 52.6-127.3-105.9 143.9 114.8 -2.1 36.6 426 427 A D > - 0 0 86 -2,-0.3 4,-2.3 -132,-0.2 5,-0.2 -0.799 17.4-145.1 -85.9 126.7 112.0 -1.2 34.2 427 428 A R H > S+ 0 0 92 -2,-0.5 4,-2.7 2,-0.2 5,-0.2 0.909 95.3 49.4 -59.9 -48.8 112.9 1.9 32.2 428 429 A E H > S+ 0 0 132 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.930 112.1 48.9 -60.0 -44.1 109.4 3.4 31.9 429 430 A L H > S+ 0 0 89 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 112.2 48.0 -62.3 -46.0 108.8 3.0 35.6 430 431 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.921 109.1 55.1 -60.0 -41.8 112.2 4.6 36.5 431 432 A Q H X S+ 0 0 65 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.913 107.3 49.0 -61.1 -41.2 111.4 7.4 34.1 432 433 A E H X S+ 0 0 114 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.888 110.7 49.8 -69.9 -34.9 108.1 8.2 35.9 433 434 A Q H X S+ 0 0 81 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.915 113.8 46.5 -65.7 -40.5 109.8 8.2 39.3 434 435 A F H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.863 107.8 54.4 -73.1 -30.9 112.5 10.6 38.0 435 436 A D H X S+ 0 0 67 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.956 114.0 44.5 -63.8 -42.5 110.0 12.9 36.3 436 437 A E H X S+ 0 0 87 -4,-1.9 4,-0.8 -5,-0.2 -2,-0.2 0.929 108.9 55.3 -66.7 -42.4 108.3 13.2 39.6 437 438 A L H >< S+ 0 0 2 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.925 106.6 51.3 -56.8 -42.0 111.6 13.6 41.6 438 439 A V H >< S+ 0 0 32 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.859 102.3 59.8 -66.3 -32.5 112.5 16.6 39.4 439 440 A R H 3< S+ 0 0 163 -4,-1.4 3,-0.4 1,-0.3 -1,-0.3 0.668 95.1 65.6 -64.7 -17.4 109.1 18.2 40.1 440 441 A R T XX + 0 0 96 -3,-1.3 4,-2.1 -4,-0.8 3,-0.9 0.184 65.2 122.2 -91.9 19.3 110.1 18.1 43.8 441 442 A K H <> + 0 0 105 -3,-1.5 4,-2.9 1,-0.2 -1,-0.2 0.837 67.4 57.0 -43.8 -45.3 112.9 20.6 43.2 442 443 A D H 3> S+ 0 0 132 -3,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.868 109.8 43.1 -62.2 -38.1 111.5 23.1 45.7 443 444 A S H <> S+ 0 0 39 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.836 111.3 54.7 -80.7 -28.2 111.7 20.6 48.6 444 445 A I H X S+ 0 0 2 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.955 111.1 48.0 -59.9 -47.1 115.2 19.3 47.4 445 446 A X H X S+ 0 0 68 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.841 110.9 49.5 -63.2 -35.5 116.2 23.0 47.7 446 447 A A H X S+ 0 0 46 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.931 109.8 49.7 -72.0 -46.6 114.7 23.4 51.1 447 448 A X H X S+ 0 0 8 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.864 113.2 48.9 -56.8 -36.6 116.3 20.3 52.6 448 449 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.881 106.5 55.4 -74.4 -39.0 119.6 21.5 51.2 449 450 A G H X S+ 0 0 37 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.883 105.8 51.8 -58.6 -40.4 119.2 25.0 52.7 450 451 A X H < S+ 0 0 34 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.845 110.1 49.2 -68.8 -31.9 118.7 23.6 56.2 451 452 A X H < S+ 0 0 8 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.859 113.7 47.0 -71.7 -37.6 121.9 21.6 55.7 452 453 A S H < 0 0 71 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.969 360.0 360.0 -62.2 -57.3 123.7 24.8 54.6 453 454 A Q < 0 0 112 -4,-2.9 -4,-0.0 -5,-0.1 0, 0.0 -0.051 360.0 360.0 -39.8 360.0 122.4 27.1 57.4