==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-JAN-05 1WXQ . COMPND 2 MOLECULE: GTP-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR N.K.LOKANATH,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMIC . 344 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18235.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 24 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 1 1 1 0 3 1 2 0 0 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 2 1 0 1 1 0 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 . 0 0 0 1 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 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 X 0 0 100 0, 0.0 60,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 140.3 23.7 53.0 50.0 2 2 A E E -a 61 0A 23 72,-0.2 74,-2.9 58,-0.1 75,-1.0 -0.987 360.0-136.8-156.8 145.3 20.6 51.0 49.0 3 3 A I E -ab 62 77A 0 58,-2.4 60,-2.2 -2,-0.3 2,-0.4 -0.910 16.7-152.9-108.7 125.1 17.7 51.2 46.5 4 4 A G E -ab 63 78A 0 73,-2.6 75,-2.5 -2,-0.5 2,-0.6 -0.796 4.0-149.7 -99.5 138.3 14.2 50.4 47.5 5 5 A V E +ab 64 79A 0 58,-2.7 60,-1.3 -2,-0.4 2,-0.3 -0.930 25.0 169.6-109.9 118.1 11.6 49.0 45.0 6 6 A V E + b 0 80A 3 73,-1.5 75,-2.1 -2,-0.6 2,-0.3 -0.816 8.0 125.7-125.6 164.7 8.0 50.0 45.6 7 7 A G E - b 0 81A 25 58,-0.4 75,-0.1 -2,-0.3 3,-0.1 -0.908 54.8 -77.2 163.7 168.2 4.7 49.8 43.8 8 8 A K > - 0 0 23 73,-0.5 3,-0.7 -2,-0.3 5,-0.4 -0.334 64.6 -84.3 -79.5 172.2 1.1 48.6 44.0 9 9 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.465 105.5 26.4 -80.1 154.9 0.4 44.9 43.3 10 10 A N T 3 S+ 0 0 110 -2,-0.1 82,-0.1 -3,-0.1 -2,-0.0 0.620 89.7 96.3 74.7 16.4 0.1 43.4 39.8 11 11 A V S < S- 0 0 0 -3,-0.7 73,-0.2 70,-0.1 71,-0.1 0.340 106.1 -97.4-111.0 -0.2 2.2 46.0 37.9 12 12 A G S > S+ 0 0 17 -4,-0.1 4,-3.3 69,-0.1 5,-0.2 0.592 78.7 139.1 95.3 13.6 5.3 43.8 38.0 13 13 A K H > S+ 0 0 13 -5,-0.4 4,-1.9 1,-0.2 5,-0.1 0.903 78.0 43.0 -54.5 -46.7 7.0 45.4 41.1 14 14 A S H > S+ 0 0 64 2,-0.2 4,-3.6 1,-0.2 -1,-0.2 0.870 113.2 53.2 -68.2 -38.3 8.0 42.0 42.5 15 15 A T H > S+ 0 0 42 2,-0.2 4,-4.6 1,-0.2 5,-0.3 0.941 106.0 53.4 -61.7 -48.4 9.1 40.9 39.0 16 16 A F H X S+ 0 0 0 -4,-3.3 4,-3.0 2,-0.2 -1,-0.2 0.921 113.4 43.1 -53.6 -46.9 11.2 44.0 38.6 17 17 A F H X S+ 0 0 22 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.978 116.7 46.3 -62.5 -54.9 13.0 43.2 41.9 18 18 A S H X S+ 0 0 56 -4,-3.6 4,-1.4 1,-0.2 -2,-0.2 0.923 115.3 48.3 -51.6 -48.6 13.2 39.5 41.0 19 19 A A H < S+ 0 0 0 -4,-4.6 3,-0.4 1,-0.2 -1,-0.2 0.943 117.5 39.0 -58.8 -50.9 14.5 40.4 37.6 20 20 A A H < S+ 0 0 1 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.642 116.5 52.7 -76.8 -12.7 17.1 42.9 38.8 21 21 A T H < 0 0 23 -4,-2.1 7,-0.5 -5,-0.2 -1,-0.2 0.611 360.0 360.0-100.6 -13.2 18.1 40.8 41.8 22 22 A L < 0 0 110 -4,-1.4 -4,-0.0 -3,-0.4 5,-0.0 -0.377 360.0 360.0 -58.7 360.0 18.9 37.4 40.1 23 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 24 37 A A 0 0 145 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -58.1 15.2 37.8 53.0 25 38 A N + 0 0 61 2,-0.0 39,-2.8 38,-0.0 2,-0.4 0.112 360.0 94.6 -98.4 18.3 13.7 40.6 51.0 26 39 A V E +C 63 0A 64 37,-0.2 37,-0.2 35,-0.0 2,-0.2 -0.926 47.3 156.1-115.9 137.8 17.1 42.1 50.3 27 40 A G E -C 62 0A 21 35,-3.2 35,-2.2 -2,-0.4 2,-0.4 -0.716 36.8-104.4-141.3-169.2 19.2 41.4 47.3 28 41 A V E +C 61 0A 65 -7,-0.5 33,-0.2 33,-0.2 2,-0.2 -0.993 29.3 174.9-131.5 126.7 22.0 42.7 45.1 29 42 A T E -C 60 0A 1 31,-2.8 31,-2.1 -2,-0.4 2,-0.3 -0.482 26.9-116.8-114.2-169.9 21.7 44.3 41.7 30 43 A Y E -C 59 0A 69 29,-0.2 2,-0.7 -10,-0.2 27,-0.1 -0.945 1.9-137.0-140.1 153.0 24.4 45.8 39.7 31 44 A A E -C 58 0A 0 27,-2.7 27,-1.9 -2,-0.3 2,-0.6 -0.881 26.2-163.8-111.9 104.2 25.5 49.2 38.2 32 45 A I E +C 57 0A 15 -2,-0.7 2,-0.3 25,-0.2 25,-0.2 -0.780 27.9 130.9 -98.2 123.2 26.9 48.7 34.7 33 46 A T E -C 56 0A 28 23,-1.5 23,-3.2 -2,-0.6 2,-0.3 -0.857 67.2 -52.2-149.4 177.4 28.9 51.4 33.0 34 47 A D E -C 55 0A 74 -2,-0.3 21,-0.3 21,-0.2 4,-0.1 -0.430 53.7-134.6 -63.7 118.7 32.2 51.5 31.1 35 48 A H - 0 0 1 19,-1.1 -1,-0.1 -2,-0.3 -3,-0.0 -0.553 26.6-111.3 -72.1 136.0 34.9 49.8 33.2 36 49 A P S S+ 0 0 9 0, 0.0 2,-2.6 0, 0.0 5,-0.4 0.692 101.0 94.8 -38.7 -25.0 38.1 52.0 33.1 37 50 A C + 0 0 9 1,-0.2 -2,-0.2 2,-0.1 6,-0.1 -0.310 52.9 94.5 -80.2 61.2 39.7 49.2 31.0 38 51 A K S S+ 0 0 149 -2,-2.6 -1,-0.2 -4,-0.1 4,-0.1 -0.278 90.1 26.9-132.4 49.1 38.9 50.8 27.7 39 52 A E S S- 0 0 159 2,-0.4 -2,-0.1 -3,-0.0 3,-0.0 0.082 135.9 -15.3-162.0 -74.9 42.2 52.6 27.0 40 53 A L S S+ 0 0 154 -4,-0.3 2,-0.1 2,-0.0 -3,-0.1 0.541 108.2 99.1-118.9 -19.1 45.5 51.4 28.5 41 54 A G + 0 0 32 -5,-0.4 -2,-0.4 251,-0.0 2,-0.3 -0.356 45.2 165.7 -73.9 142.6 44.0 49.1 31.1 42 55 A C + 0 0 96 1,-0.2 -4,-0.1 -2,-0.1 -2,-0.0 -0.990 49.9 10.6-162.4 150.8 43.7 45.4 30.6 43 56 A S S S- 0 0 88 -2,-0.3 2,-0.2 1,-0.1 248,-0.2 0.908 71.6-164.7 37.9 76.7 43.1 42.1 32.5 44 57 A P - 0 0 13 0, 0.0 248,-0.2 0, 0.0 7,-0.1 -0.576 19.0-138.1 -81.2 146.5 41.9 43.6 35.9 45 58 A N - 0 0 63 246,-1.9 245,-0.0 -2,-0.2 5,-0.0 -0.675 29.6-162.5-106.0 81.5 41.7 41.4 39.0 46 59 A P + 0 0 48 0, 0.0 248,-0.2 0, 0.0 246,-0.1 -0.261 23.6 165.4 -63.6 145.1 38.4 42.6 40.6 47 60 A Q S S+ 0 0 105 246,-2.1 247,-0.2 245,-0.2 245,-0.0 0.631 78.5 30.0-127.7 -48.9 37.5 42.0 44.2 48 61 A N S S+ 0 0 45 245,-1.1 246,-0.1 10,-0.0 2,-0.1 0.650 130.9 18.9 -91.0 -12.9 34.5 44.1 45.2 49 62 A Y S S- 0 0 19 244,-0.5 2,-0.3 9,-0.1 9,-0.2 -0.290 80.5-103.8-127.4-147.1 33.1 44.2 41.7 50 63 A E - 0 0 55 7,-0.4 7,-2.4 -2,-0.1 2,-0.2 -0.942 13.3-136.3-158.4 136.1 33.2 42.3 38.4 51 64 A Y E +D 56 0A 75 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.543 28.1 165.8 -86.2 153.2 34.7 42.7 35.0 52 65 A R E > -D 55 0A 87 3,-0.9 3,-2.1 -2,-0.2 -17,-0.2 -0.662 63.8 -34.2-174.5 109.2 32.6 41.9 31.9 53 66 A N T 3 S- 0 0 127 1,-0.3 3,-0.1 -2,-0.2 -18,-0.0 0.844 120.9 -46.8 40.2 53.9 33.2 42.8 28.2 54 67 A G T 3 S+ 0 0 16 1,-0.2 -19,-1.1 -20,-0.1 2,-0.4 0.692 118.8 113.3 68.1 16.8 34.9 46.2 29.0 55 68 A L E < -DC 52 34A 37 -3,-2.1 -3,-0.9 -21,-0.3 2,-0.5 -0.955 63.3-132.6-125.2 143.2 32.1 47.0 31.4 56 69 A A E -DC 51 33A 0 -23,-3.2 -23,-1.5 -2,-0.4 2,-0.8 -0.812 12.5-164.8 -95.4 123.2 32.1 47.5 35.1 57 70 A L E - C 0 32A 6 -7,-2.4 -7,-0.4 -2,-0.5 -25,-0.2 -0.825 12.5-173.7-109.2 92.0 29.4 45.7 37.1 58 71 A I E - C 0 31A 7 -27,-1.9 -27,-2.7 -2,-0.8 -9,-0.1 -0.760 24.1-120.0 -88.9 122.9 29.4 47.4 40.6 59 72 A P E - C 0 30A 49 0, 0.0 2,-0.3 0, 0.0 -29,-0.2 -0.265 30.1-175.3 -65.5 149.0 27.1 45.8 43.2 60 73 A V E - C 0 29A 6 -31,-2.1 -31,-2.8 -57,-0.0 -58,-0.1 -0.987 27.2-113.3-148.0 131.8 24.3 47.7 44.9 61 74 A K E -aC 2 28A 97 -60,-0.7 -58,-2.4 -2,-0.3 2,-0.4 -0.357 33.4-171.0 -65.8 143.7 21.8 46.7 47.6 62 75 A X E -aC 3 27A 0 -35,-2.2 -35,-3.2 -60,-0.2 2,-0.4 -0.999 7.5-156.1-140.3 138.0 18.2 46.4 46.6 63 76 A V E -aC 4 26A 4 -60,-2.2 -58,-2.7 -2,-0.4 2,-1.6 -0.947 18.0-136.9-119.7 132.1 15.1 45.9 48.8 64 77 A D E -a 5 0A 34 -39,-2.8 2,-0.9 -2,-0.4 -58,-0.1 -0.676 32.1-157.9 -86.1 88.8 11.7 44.5 47.8 65 78 A V 0 0 2 -2,-1.6 -58,-0.4 -60,-1.3 4,-0.1 -0.577 360.0 360.0 -76.3 101.4 9.6 47.1 49.6 66 79 A A 0 0 75 -2,-0.9 3,-0.2 2,-0.2 -1,-0.2 0.247 360.0 360.0-169.0 360.0 6.1 45.8 50.3 67 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 68 95 A F 0 0 180 0, 0.0 2,-3.0 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -4.5 5.6 46.7 56.8 69 96 A L + 0 0 115 1,-0.3 -4,-0.1 -3,-0.2 0, 0.0 -0.338 360.0 93.1 -74.5 61.3 6.3 49.7 54.5 70 97 A D + 0 0 77 -2,-3.0 -1,-0.3 2,-0.1 4,-0.2 -0.128 53.6 94.8-136.9 23.7 9.3 50.7 56.6 71 98 A D S S+ 0 0 26 -3,-0.4 3,-0.3 1,-0.1 -2,-0.1 0.567 84.1 54.8 -87.9 -15.8 11.6 48.7 54.4 72 99 A L S > S+ 0 0 7 1,-0.2 3,-2.9 2,-0.1 -1,-0.1 0.642 76.8 100.1 -90.7 -18.8 12.1 52.1 52.6 73 100 A R T 3 S+ 0 0 85 1,-0.3 -1,-0.2 3,-0.0 -2,-0.1 0.771 92.9 32.4 -36.1 -45.1 13.2 53.9 55.8 74 101 A X T 3 S+ 0 0 103 -3,-0.3 -1,-0.3 -4,-0.2 -72,-0.2 0.301 88.9 130.6-101.4 8.6 16.9 53.6 54.9 75 102 A A < - 0 0 2 -3,-2.9 -72,-0.2 1,-0.2 3,-0.1 -0.370 45.8-159.7 -65.5 137.2 16.6 53.8 51.2 76 103 A S S S- 0 0 40 -74,-2.9 2,-0.3 1,-0.3 -73,-0.2 0.687 80.9 -4.8 -85.3 -22.9 18.8 56.3 49.4 77 104 A A E -b 3 0A 0 -75,-1.0 -73,-2.6 111,-0.2 2,-0.4 -0.983 67.3-134.9-162.7 161.6 16.4 56.1 46.5 78 105 A L E -be 4 190A 0 111,-2.3 113,-2.7 -2,-0.3 2,-0.7 -0.964 4.6-149.4-128.5 144.9 13.4 54.4 45.3 79 106 A I E -be 5 191A 0 -75,-2.5 -73,-1.5 -2,-0.4 2,-0.9 -0.932 20.8-156.7-108.2 105.4 12.4 52.9 42.0 80 107 A H E -be 6 192A 7 111,-2.7 113,-1.8 -2,-0.7 2,-0.4 -0.757 5.6-154.9 -91.4 106.5 8.6 53.3 41.8 81 108 A V E +be 7 193A 0 -75,-2.1 -73,-0.5 -2,-0.9 2,-0.3 -0.635 19.4 175.9 -80.9 125.6 7.1 50.7 39.4 82 109 A V E - e 0 194A 1 111,-3.0 113,-2.0 -2,-0.4 2,-1.0 -0.871 37.9-100.6-130.2 164.1 3.8 51.6 37.8 83 110 A D E > - e 0 195A 1 -2,-0.3 3,-1.5 1,-0.2 5,-0.2 -0.702 27.8-170.6 -86.4 98.1 1.4 50.2 35.2 84 111 A A T 3 S+ 0 0 6 111,-2.2 -1,-0.2 -2,-1.0 112,-0.1 0.870 86.3 58.9 -59.2 -35.7 2.1 52.0 31.9 85 112 A T T 3 S- 0 0 14 110,-0.5 -1,-0.3 -3,-0.1 13,-0.1 0.742 97.3-143.1 -65.6 -20.2 -1.0 50.5 30.3 86 113 A G < + 0 0 0 -3,-1.5 12,-3.2 11,-0.1 -2,-0.1 0.764 62.4 127.7 63.1 24.5 -3.1 52.1 33.1 87 114 A K + 0 0 102 10,-0.2 8,-1.3 2,-0.1 2,-0.4 0.101 49.6 88.7 -97.6 20.8 -5.2 48.9 33.2 88 115 A T B S-G 94 0B 7 10,-0.3 -5,-0.1 6,-0.2 -78,-0.0 -0.955 72.7-125.2-124.9 143.1 -4.8 48.5 36.9 89 116 A D > - 0 0 46 4,-1.7 3,-1.4 -2,-0.4 9,-0.1 -0.228 33.1-104.9 -75.9 163.8 -6.8 49.9 39.9 90 117 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 8,-0.0 0.918 129.0 46.5 -57.7 -38.7 -5.2 51.9 42.8 91 118 A E T 3 S- 0 0 130 2,-0.1 -2,-0.0 -83,-0.1 -3,-0.0 0.521 130.0-103.7 -78.6 -5.2 -5.6 48.7 44.9 92 119 A G S < S+ 0 0 0 -3,-1.4 3,-0.0 1,-0.3 -4,-0.0 0.840 76.0 125.9 89.7 37.5 -4.1 46.8 41.9 93 120 A Q - 0 0 122 1,-0.1 -4,-1.7 0, 0.0 -1,-0.3 -0.949 67.4 -72.2-128.9 148.1 -7.0 45.0 40.2 94 121 A P B +G 88 0B 125 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 0.079 60.2 153.5 -37.7 137.7 -8.2 45.0 36.5 95 122 A T - 0 0 49 -8,-1.3 3,-0.2 1,-0.1 -6,-0.0 -0.949 53.0-107.7-159.2 167.1 -10.0 48.2 35.3 96 123 A D S S- 0 0 129 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.916 94.9 -15.7 -72.6 -44.1 -10.5 50.1 32.0 97 124 A Y + 0 0 88 -10,-0.1 2,-0.4 -3,-0.1 -1,-0.2 -0.784 54.8 172.0-168.6 122.7 -8.1 52.9 32.7 98 125 A H - 0 0 40 -12,-3.2 -10,-0.3 -2,-0.2 -15,-0.1 -0.934 36.9-122.6-136.4 110.2 -6.3 54.4 35.7 99 126 A D >> - 0 0 40 -2,-0.4 3,-2.0 1,-0.2 4,-0.5 -0.269 12.0-148.5 -52.7 118.4 -3.7 57.1 35.1 100 127 A P H >> S+ 0 0 4 0, 0.0 4,-1.7 0, 0.0 3,-1.7 0.849 93.5 74.8 -57.7 -34.7 -0.4 55.9 36.6 101 128 A V H 3> S+ 0 0 7 1,-0.3 4,-0.9 2,-0.2 -2,-0.1 0.608 92.2 55.3 -53.7 -12.2 0.3 59.6 37.4 102 129 A E H <> S+ 0 0 105 -3,-2.0 4,-1.7 2,-0.2 -1,-0.3 0.736 103.6 50.5 -96.1 -25.5 -2.2 59.3 40.2 103 130 A D H < S+ 0 0 21 -4,-3.3 3,-1.8 -5,-0.2 2,-0.3 0.918 93.4 82.4 -61.2 -52.0 4.8 67.3 64.0 121 148 A K T 3< S+ 0 0 164 -4,-2.4 0, 0.0 -5,-0.3 0, 0.0 -0.421 115.9 1.2 -59.1 119.5 3.9 64.8 66.7 122 149 A G T > S+ 0 0 56 -2,-0.3 3,-2.2 1,-0.1 -1,-0.3 0.146 92.1 138.5 94.4 -20.9 5.5 66.0 69.9 123 150 A W T X> + 0 0 14 -3,-1.8 4,-1.2 1,-0.3 3,-0.5 0.500 64.1 56.8 -52.8 -7.5 6.8 69.0 68.0 124 151 A D H 3> S+ 0 0 109 -4,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.894 105.0 50.5 -87.1 -42.6 5.9 71.5 70.8 125 152 A K H <4 S+ 0 0 191 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.2 -0.278 112.8 50.6 -87.0 38.3 8.1 69.6 73.4 126 153 A F H <4 S+ 0 0 12 -3,-0.5 3,-0.2 -2,-0.3 -1,-0.2 0.296 102.7 54.1-131.8 -37.4 10.8 69.7 70.9 127 154 A A H < S+ 0 0 2 -4,-1.2 42,-0.5 1,-0.2 3,-0.5 0.815 114.2 42.3 -66.9 -30.7 10.9 73.4 70.0 128 155 A K S X S+ 0 0 129 -4,-1.3 4,-0.7 1,-0.2 5,-0.4 0.656 101.6 66.3 -94.7 -15.8 11.2 74.5 73.6 129 156 A R T 4 S+ 0 0 113 -3,-0.2 -1,-0.2 -5,-0.2 -2,-0.1 0.094 116.0 33.8 -78.6 19.6 13.8 71.8 74.6 130 157 A I T 4 S+ 0 0 5 -3,-0.5 -2,-0.2 4,-0.1 -1,-0.2 0.379 102.5 68.3-153.1 -17.7 16.0 73.7 72.2 131 158 A K T 4 S+ 0 0 95 -4,-0.4 -3,-0.1 3,-0.2 -2,-0.1 0.690 120.2 23.4 -85.1 -24.8 15.1 77.4 72.4 132 159 A L S < S+ 0 0 135 -4,-0.7 -3,-0.1 1,-0.0 -4,-0.1 0.707 123.2 51.9-107.6 -39.6 16.5 77.6 75.9 133 160 A Q S S- 0 0 110 -5,-0.4 -2,-0.1 1,-0.1 -4,-0.1 0.606 103.6-142.3 -67.4 -11.8 18.8 74.7 75.8 134 161 A K + 0 0 169 -6,-0.1 -3,-0.2 1,-0.1 -4,-0.1 0.708 33.2 175.6 64.7 17.9 19.9 76.5 72.7 135 162 A I - 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0 0 11 -5,-1.0 -1,-0.2 -8,-0.2 2,-0.2 -0.578 28.3-147.0 -79.8 133.2 18.9 62.5 57.0 151 178 A N > - 0 0 98 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.579 25.3-122.0 -83.3 157.8 22.2 64.5 57.3 152 179 A E H > S+ 0 0 86 1,-0.2 4,-1.8 -2,-0.2 -1,-0.1 0.759 119.8 56.4 -71.2 -20.7 22.6 67.6 59.4 153 180 A N H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.859 102.5 51.7 -78.0 -35.7 23.6 69.0 56.0 154 181 A D H > S+ 0 0 28 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.918 112.1 47.7 -64.5 -41.7 20.3 68.0 54.4 155 182 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.926 109.4 53.2 -63.8 -46.0 18.5 69.7 57.3 156 183 A W H X S+ 0 0 124 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.924 112.9 43.3 -55.8 -47.9 20.6 72.8 56.9 157 184 A E H X S+ 0 0 86 -4,-2.3 4,-3.2 2,-0.2 -1,-0.2 0.912 111.2 52.4 -65.7 -47.1 19.8 73.2 53.2 158 185 A A H X S+ 0 0 5 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.956 114.0 43.8 -55.9 -51.4 16.1 72.4 53.4 159 186 A X H ><>S+ 0 0 9 -4,-2.3 5,-2.5 1,-0.2 3,-0.6 0.934 114.1 50.1 -57.5 -49.3 15.6 75.0 56.1 160 187 A H H ><5S+ 0 0 123 -4,-2.3 3,-1.3 -5,-0.3 -1,-0.2 0.898 109.3 53.1 -56.4 -42.7 17.8 77.5 54.2 161 188 A K H 3<5S+ 0 0 103 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.742 113.8 40.6 -66.9 -27.5 15.8 76.9 51.1 162 189 A L T <<5S- 0 0 61 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 -0.006 109.6-116.3-112.3 28.1 12.4 77.6 52.7 163 190 A N T < 5 + 0 0 154 -3,-1.3 -3,-0.2 1,-0.1 -4,-0.1 0.847 54.3 170.6 40.1 46.9 13.6 80.6 54.8 164 191 A L < - 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