==== 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 10-OCT-05 2B92 . COMPND 2 MOLECULE: INTERFERON-INDUCED GUANYLATE-BINDING PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.GHOSH,G.J.K.PRAEFCKE,L.RENAULT,A.WITTINGHOFER,C.HERRMANN . 578 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 394 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 8.7 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 42 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 30.1 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+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 0 0 1 4 2 0 0 0 0 2 3 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 3 3 2 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 . 4 2 2 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 6 A H 0 0 156 0, 0.0 2,-0.4 0, 0.0 77,-0.1 0.000 360.0 360.0 360.0-103.1 46.3 3.9 15.3 2 7 A M - 0 0 36 75,-1.1 74,-0.0 1,-0.1 0, 0.0 -0.678 360.0-155.1 -77.4 131.2 49.8 3.4 13.9 3 8 A T S S- 0 0 140 -2,-0.4 -1,-0.1 1,-0.2 75,-0.0 0.744 71.1 -5.8 -85.9 -28.4 52.4 2.7 16.7 4 9 A G S S- 0 0 24 73,-0.1 73,-0.2 55,-0.0 -1,-0.2 -0.969 82.2 -85.1-155.3 173.5 55.4 4.0 14.8 5 10 A P - 0 0 24 0, 0.0 2,-0.3 0, 0.0 71,-0.2 -0.268 33.0-160.2 -80.0 159.9 56.4 5.2 11.4 6 11 A M E -A 75 0A 44 69,-2.2 69,-2.5 -2,-0.0 2,-0.3 -0.977 31.8 -92.0-139.0 152.9 57.4 3.1 8.4 7 12 A C E +A 74 0A 22 -2,-0.3 67,-0.3 67,-0.3 3,-0.2 -0.488 35.0 178.9 -65.9 123.0 59.4 3.9 5.3 8 13 A L E S+ 0 0 3 65,-2.9 11,-2.5 1,-0.3 2,-0.5 0.839 75.1 30.3 -87.9 -47.0 57.1 5.0 2.4 9 14 A I E S-AB 73 18A 0 64,-2.1 64,-2.3 9,-0.2 -1,-0.3 -0.981 76.6-149.8-121.0 119.7 59.8 5.6 -0.2 10 15 A E E - B 0 17A 73 7,-2.9 7,-1.6 -2,-0.5 2,-0.3 -0.595 2.7-155.3 -82.3 151.3 62.9 3.6 -0.2 11 16 A N E + B 0 16A 31 -2,-0.2 2,-0.5 5,-0.2 5,-0.2 -0.744 25.4 157.4-132.3 87.7 66.2 5.1 -1.4 12 17 A T E > S- B 0 15A 87 3,-1.7 3,-2.0 -2,-0.3 -2,-0.0 -0.944 73.3 -22.5-117.4 121.7 68.8 2.5 -2.7 13 18 A N T 3 S- 0 0 160 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.881 124.7 -52.4 45.2 45.6 71.6 3.5 -5.1 14 19 A G T 3 S+ 0 0 27 1,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.574 111.1 120.8 74.6 5.6 69.6 6.5 -6.5 15 20 A R E < -B 12 0A 163 -3,-2.0 -3,-1.7 2,-0.0 2,-0.5 -0.939 49.7-155.3 -96.4 125.0 66.5 4.4 -7.2 16 21 A L E +B 11 0A 12 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.896 19.6 175.0 -95.9 130.4 63.4 5.6 -5.4 17 22 A M E -B 10 0A 113 -7,-1.6 -7,-2.9 -2,-0.5 2,-0.2 -0.977 31.5-115.5-137.8 137.4 60.8 2.9 -4.9 18 23 A A E -B 9 0A 9 -2,-0.4 -9,-0.2 -9,-0.2 -10,-0.1 -0.494 30.0-124.9 -62.4 141.6 57.5 2.7 -3.1 19 24 A N >> - 0 0 28 -11,-2.5 3,-1.9 -2,-0.2 4,-1.4 -0.861 14.5-151.6 -91.9 113.3 57.4 0.3 -0.3 20 25 A P H 3> S+ 0 0 76 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.776 90.8 62.9 -58.6 -31.5 54.5 -2.0 -1.0 21 26 A E H 3> S+ 0 0 106 1,-0.2 4,-0.7 2,-0.2 -13,-0.1 0.695 106.3 47.0 -69.9 -16.9 53.8 -2.7 2.8 22 27 A A H <> S+ 0 0 0 -3,-1.9 4,-3.6 2,-0.2 -1,-0.2 0.797 110.1 50.6 -90.5 -35.7 53.0 1.0 3.3 23 28 A L H X S+ 0 0 13 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.890 104.7 57.5 -65.9 -41.7 50.8 1.2 0.3 24 29 A K H < S+ 0 0 126 -4,-2.5 4,-0.4 -5,-0.2 -1,-0.2 0.940 112.5 42.8 -51.8 -38.3 49.0 -1.8 1.6 25 30 A I H >< S+ 0 0 59 -4,-0.7 3,-1.7 1,-0.2 4,-0.5 0.954 113.4 48.7 -76.1 -48.7 48.4 0.4 4.7 26 31 A L H >< S+ 0 0 0 -4,-3.6 3,-1.5 1,-0.3 -1,-0.2 0.855 104.6 62.1 -52.9 -38.9 47.5 3.6 2.9 27 32 A S T 3< S+ 0 0 49 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.696 101.2 52.0 -69.9 -12.8 45.1 1.7 0.8 28 33 A A T < S+ 0 0 74 -3,-1.7 2,-0.7 -4,-0.4 -1,-0.3 0.511 87.0 95.2 -97.3 -7.9 43.1 0.7 3.8 29 34 A I < + 0 0 11 -3,-1.5 242,-1.6 -4,-0.5 58,-0.0 -0.781 42.9 171.4 -95.8 112.4 42.7 4.3 5.1 30 35 A T + 0 0 102 -2,-0.7 -1,-0.2 240,-0.2 3,-0.1 0.683 48.1 94.0 -95.6 -27.3 39.4 5.8 4.0 31 36 A Q S S- 0 0 63 1,-0.1 240,-0.7 239,-0.1 55,-0.1 -0.291 85.7 -97.2 -61.8 153.2 39.4 9.0 6.0 32 37 A P B -H 270 0B 31 0, 0.0 55,-2.6 0, 0.0 2,-0.4 -0.393 43.3-134.2 -66.3 162.2 40.7 12.2 4.5 33 38 A M E -c 87 0A 0 236,-1.9 228,-2.8 228,-0.3 2,-0.5 -0.920 17.1-154.1-131.8 134.9 44.3 13.2 5.3 34 39 A V E -c 88 0A 0 53,-2.4 55,-3.0 -2,-0.4 2,-0.5 -0.947 27.9-156.0 -96.5 126.8 46.3 16.2 6.3 35 40 A V E -c 89 0A 0 -2,-0.5 84,-2.5 224,-0.4 85,-2.1 -0.912 12.1-173.4-113.6 123.9 49.8 15.7 5.1 36 41 A V E -cd 90 120A 0 53,-3.0 55,-3.2 -2,-0.5 2,-0.3 -0.961 5.7-177.5-118.6 126.0 52.8 17.4 6.7 37 42 A A E -cd 91 121A 0 83,-2.3 85,-1.5 -2,-0.5 2,-0.4 -0.855 7.0-161.1-118.5 158.8 56.2 17.1 5.2 38 43 A I E +cd 92 122A 1 53,-0.9 55,-0.6 -2,-0.3 2,-0.3 -0.999 13.3 165.7-141.4 131.8 59.5 18.4 6.4 39 44 A V E + d 0 123A 2 83,-2.6 85,-3.1 -2,-0.4 2,-0.3 -0.996 12.3 119.3-141.3 164.9 62.8 19.0 4.6 40 45 A G E - d 0 124A 0 -2,-0.3 56,-3.1 54,-0.2 85,-0.2 -0.958 62.4 -34.7 172.0-175.1 66.0 20.7 5.1 41 46 A L B S-i 96 0C 42 83,-0.7 3,-0.3 -2,-0.3 56,-0.2 -0.335 74.3 -91.4 -59.7 157.3 69.7 20.1 5.3 42 47 A Y S S+ 0 0 6 54,-3.0 -1,-0.1 1,-0.2 52,-0.1 -0.204 103.2 26.1 -76.7 148.3 70.8 17.1 6.9 43 48 A R S S+ 0 0 42 -3,-0.1 -1,-0.2 1,-0.1 417,-0.1 0.906 82.4 122.9 69.4 57.5 71.6 16.8 10.6 44 49 A T S S- 0 0 13 -3,-0.3 -2,-0.1 -4,-0.1 -3,-0.1 0.262 85.2 -97.7-142.2 2.4 69.4 19.6 11.4 45 50 A G S > S+ 0 0 31 17,-0.1 4,-1.5 119,-0.0 5,-0.1 0.707 74.9 137.3 88.9 20.7 66.9 18.1 14.0 46 51 A K H > S+ 0 0 12 2,-0.2 4,-2.5 -5,-0.2 5,-0.2 0.922 70.1 47.1 -65.8 -49.5 64.1 17.3 11.6 47 52 A S H > S+ 0 0 10 1,-0.2 4,-1.5 2,-0.2 13,-0.2 0.895 110.3 53.7 -66.8 -36.2 63.1 13.9 12.8 48 53 A Y H 4 S+ 0 0 21 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.894 110.7 46.9 -59.0 -42.5 63.1 15.1 16.4 49 54 A L H >X S+ 0 0 1 -4,-1.5 3,-1.5 1,-0.2 4,-0.7 0.906 106.4 55.9 -73.8 -39.5 60.8 17.9 15.5 50 55 A M H >X S+ 0 0 2 -4,-2.5 3,-1.1 1,-0.3 4,-0.9 0.843 100.1 62.6 -55.3 -37.2 58.4 15.8 13.5 51 56 A N H 3<>S+ 0 0 5 -4,-1.5 5,-1.7 1,-0.3 -1,-0.3 0.746 93.5 62.1 -64.3 -23.1 58.0 13.6 16.5 52 57 A K H X45S+ 0 0 42 -3,-1.5 3,-0.6 -4,-0.5 -1,-0.3 0.785 98.0 57.0 -76.2 -20.5 56.6 16.5 18.4 53 58 A L H <<5S+ 0 0 3 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.771 105.4 49.7 -79.0 -28.1 53.7 16.6 16.0 54 59 A A T 3<5S- 0 0 20 -4,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.429 109.8-127.6 -85.4 -2.5 52.8 13.0 16.8 55 60 A G T < 5S+ 0 0 67 -3,-0.6 2,-0.4 1,-0.2 -3,-0.2 0.816 70.1 115.1 56.1 34.3 53.0 13.9 20.5 56 61 A K < - 0 0 129 -5,-1.7 2,-0.6 0, 0.0 -2,-0.2 -0.994 65.6-134.0-127.1 140.1 55.4 11.0 21.3 57 62 A K S S+ 0 0 104 -2,-0.4 175,-0.1 -3,-0.1 176,-0.0 -0.828 90.3 22.7 -78.3 124.9 59.0 10.9 22.4 58 63 A K S S+ 0 0 123 -2,-0.6 3,-0.1 2,-0.1 2,-0.1 0.696 76.4 109.8 81.8 118.4 60.5 8.3 20.1 59 64 A G S S+ 0 0 21 1,-0.7 2,-0.2 -55,-0.1 -11,-0.1 -0.367 70.7 45.7-171.8 -95.9 59.1 7.5 16.7 60 65 A F S S- 0 0 2 -13,-0.2 -1,-0.7 -2,-0.1 -2,-0.1 -0.547 101.4-109.7 -56.3 131.7 61.0 8.6 13.6 61 66 A S - 0 0 54 -2,-0.2 9,-0.1 -3,-0.1 -14,-0.1 -0.417 29.4-154.6 -92.0 153.3 64.4 7.6 14.5 62 67 A L - 0 0 29 -2,-0.1 8,-0.3 7,-0.1 -15,-0.2 0.941 6.0-155.0-100.6 -67.6 67.2 10.2 15.4 63 68 A G - 0 0 34 6,-0.1 6,-0.1 1,-0.1 7,-0.1 0.641 8.3-144.5 80.3 137.2 70.9 9.4 15.0 64 69 A S + 0 0 38 4,-0.1 397,-2.4 396,-0.1 -1,-0.1 0.401 63.6 69.8-117.2 -7.8 73.6 11.1 17.0 65 70 A T B S-j 461 0D 26 2,-0.3 397,-0.2 395,-0.2 399,-0.1 -0.092 91.9 -88.8-115.4-168.6 76.6 11.5 14.8 66 71 A V S S+ 0 0 3 397,-0.8 2,-0.2 395,-0.7 398,-0.1 0.676 98.8 93.8 -80.3 -16.9 77.9 13.3 11.7 67 72 A Q S S- 0 0 35 396,-0.5 -2,-0.3 1,-0.1 -24,-0.0 -0.508 86.1-109.2 -75.1 142.5 76.5 10.6 9.5 68 73 A S - 0 0 16 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.280 33.9-177.7 -65.1 159.4 73.0 11.0 8.1 69 74 A H + 0 0 80 1,-0.3 2,-0.2 -7,-0.1 -1,-0.1 0.712 55.2 69.0-128.7 -68.9 70.3 8.8 9.5 70 75 A T - 0 0 16 -8,-0.3 25,-0.5 23,-0.2 2,-0.3 -0.501 64.1-169.7 -56.2 123.2 66.8 9.1 8.0 71 76 A K - 0 0 85 -2,-0.2 -62,-0.1 23,-0.1 2,-0.1 -0.963 51.1 -13.5-115.6 147.6 67.0 7.7 4.4 72 77 A G S S- 0 0 0 -2,-0.3 22,-1.8 -62,-0.1 2,-0.4 -0.416 106.3 -47.6 67.3-145.2 64.2 8.0 1.8 73 78 A I E -AE 9 93A 0 -64,-2.3 -65,-2.9 20,-0.2 -64,-2.1 -0.986 49.3-159.0-129.3 130.8 60.8 9.2 3.2 74 79 A W E -AE 7 92A 86 18,-2.9 18,-3.3 -2,-0.4 2,-0.3 -0.840 5.9-159.3-106.3 134.9 59.0 7.8 6.2 75 80 A M E -AE 6 91A 0 -69,-2.5 -69,-2.2 -2,-0.4 2,-0.3 -0.833 5.7-168.7-103.3 157.2 55.3 8.2 6.8 76 81 A W E - E 0 90A 2 14,-1.4 14,-2.2 -2,-0.3 2,-0.7 -0.899 9.2-155.6-145.7 113.0 53.4 8.0 10.1 77 82 A C E + E 0 89A 2 -2,-0.3 -75,-1.1 -73,-0.2 12,-0.2 -0.790 26.6 156.4 -97.8 115.3 49.6 7.8 10.1 78 83 A V E - E 0 88A 21 10,-2.7 10,-3.4 -2,-0.7 2,-0.1 -0.923 47.0 -87.0-135.4 154.3 47.9 9.0 13.3 79 84 A P E - E 0 87A 72 0, 0.0 8,-0.2 0, 0.0 10,-0.0 -0.364 50.9-106.1 -58.4 138.5 44.5 10.4 14.3 80 85 A H - 0 0 14 6,-2.1 3,-0.3 3,-0.3 6,-0.2 -0.574 21.2-148.5 -72.5 121.5 44.2 14.2 14.0 81 86 A P S S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 174,-0.0 0.636 91.2 21.3 -63.8 -17.8 44.4 15.8 17.3 82 87 A K S S+ 0 0 127 1,-0.2 -2,-0.0 173,-0.1 173,-0.0 0.462 113.1 63.0-135.7 -7.6 42.0 18.8 16.3 83 88 A K S > S- 0 0 71 -3,-0.3 3,-1.7 3,-0.1 -3,-0.3 -0.877 77.5-141.2-124.8 98.0 39.9 17.7 13.3 84 89 A P T 3 S+ 0 0 121 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.255 84.8 24.8 -63.3 139.0 37.7 14.8 14.1 85 90 A G T 3 S+ 0 0 57 1,-0.3 2,-0.3 -5,-0.1 0, 0.0 0.308 102.4 104.7 92.7 -9.1 37.3 12.2 11.3 86 91 A H < - 0 0 39 -3,-1.7 -6,-2.1 -6,-0.2 2,-0.4 -0.776 61.6-137.6-100.4 155.0 40.7 13.1 9.7 87 92 A I E -cE 33 79A 5 -55,-2.6 -53,-2.4 -2,-0.3 2,-0.4 -0.902 13.3-138.8-106.2 136.9 44.2 11.4 9.7 88 93 A L E -cE 34 78A 0 -10,-3.4 -10,-2.7 -2,-0.4 2,-0.6 -0.764 17.6-161.3 -88.8 131.5 47.4 13.2 10.2 89 94 A V E -cE 35 77A 0 -55,-3.0 -53,-3.0 -2,-0.4 2,-0.5 -0.953 1.0-160.9-120.7 115.1 50.1 12.0 8.0 90 95 A L E -cE 36 76A 0 -14,-2.2 -14,-1.4 -2,-0.6 2,-0.5 -0.816 0.9-162.8 -98.6 129.0 53.6 12.8 8.8 91 96 A L E -cE 37 75A 4 -55,-3.2 -53,-0.9 -2,-0.5 2,-0.5 -0.943 3.1-167.3-110.7 121.0 56.4 12.6 6.3 92 97 A D E -cE 38 74A 1 -18,-3.3 -18,-2.9 -2,-0.5 2,-0.3 -0.928 16.0-154.9-108.4 129.8 60.0 12.5 7.5 93 98 A T E - E 0 73A 2 -55,-0.6 -20,-0.2 -2,-0.5 2,-0.2 -0.694 23.4-104.6-114.1 148.1 62.6 13.1 4.8 94 99 A E - 0 0 8 -22,-1.8 -54,-0.2 -2,-0.3 2,-0.2 -0.508 53.4-113.1 -55.5 128.5 66.2 12.3 4.1 95 100 A G > - 0 0 7 -25,-0.5 3,-0.5 -2,-0.2 -54,-0.3 -0.489 29.3-109.8 -74.6 151.7 68.1 15.5 4.8 96 101 A L B 3 S+i 41 0C 2 -56,-3.1 -54,-3.0 1,-0.2 -1,-0.1 -0.380 87.7 33.5 -77.9 149.7 69.8 17.5 1.9 97 102 A G T 3 + 0 0 0 1,-0.2 324,-2.7 -56,-0.2 -1,-0.2 0.603 63.8 171.1 91.7 14.6 73.5 17.9 1.4 98 103 A D <> - 0 0 7 -3,-0.5 4,-2.1 322,-0.2 5,-0.4 -0.369 21.2-160.5 -49.6 126.9 74.9 14.5 2.6 99 104 A V T 4 S+ 0 0 3 320,-0.3 -1,-0.1 2,-0.2 321,-0.1 0.767 91.3 63.6 -86.7 -25.0 78.6 14.4 1.6 100 105 A E T 4 S+ 0 0 72 1,-0.2 -1,-0.2 3,-0.0 -2,-0.1 0.905 114.4 34.0 -53.2 -39.8 78.6 10.6 2.0 101 106 A K T 4 S- 0 0 35 2,-0.0 -2,-0.2 391,-0.0 -1,-0.2 0.826 79.8-169.9 -94.8 -37.5 76.1 10.6 -0.9 102 107 A G < + 0 0 16 -4,-2.1 2,-0.3 1,-0.1 -3,-0.1 0.852 41.2 128.2 46.3 58.2 77.3 13.6 -3.0 103 108 A D > + 0 0 50 -5,-0.4 4,-1.5 1,-0.1 -6,-0.1 -0.810 30.6 173.4-151.1 86.9 74.1 13.5 -5.3 104 109 A N H > S+ 0 0 70 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.808 82.3 61.5 -70.1 -33.3 72.1 16.8 -5.8 105 110 A Q H > S+ 0 0 137 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.988 106.9 44.9 -52.7 -56.0 69.8 15.1 -8.4 106 111 A N H > S+ 0 0 5 1,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.841 110.4 55.8 -58.0 -39.8 68.6 12.7 -5.8 107 112 A D H X S+ 0 0 5 -4,-1.5 4,-2.4 1,-0.2 -1,-0.3 0.938 106.5 50.2 -54.7 -46.7 68.3 15.5 -3.4 108 113 A S H X S+ 0 0 14 -4,-2.4 4,-2.2 -3,-0.3 -2,-0.2 0.858 105.6 54.5 -68.1 -38.3 66.1 17.3 -5.7 109 114 A W H X S+ 0 0 40 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.920 112.4 44.7 -58.2 -45.4 63.7 14.3 -6.3 110 115 A I H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.970 111.6 51.0 -67.0 -53.5 63.1 13.9 -2.6 111 116 A F H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.908 111.9 50.9 -38.6 -47.4 62.6 17.6 -2.0 112 117 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.887 106.7 50.0 -72.8 -44.3 60.1 17.5 -4.9 113 118 A L H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.886 107.9 56.9 -55.2 -46.5 58.0 14.5 -3.6 114 119 A A H X S+ 0 0 1 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.964 111.5 40.0 -50.7 -56.9 57.8 16.2 -0.3 115 120 A V H >< S+ 0 0 3 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.918 116.9 52.2 -59.2 -39.6 56.3 19.3 -1.8 116 121 A L H 3< S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.829 114.4 39.1 -68.4 -35.3 54.2 17.2 -4.2 117 122 A L H 3< S+ 0 0 2 -4,-2.9 -1,-0.2 -3,-0.2 2,-0.2 0.503 102.3 92.0 -91.6 -8.3 52.6 15.0 -1.5 118 123 A S << - 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0 0 29 -11,-2.4 3,-2.2 1,-0.2 4,-1.1 -0.871 14.7-152.4 -96.5 109.3 90.1 51.4 -1.2 310 25 B P H >> S+ 0 0 71 0, 0.0 4,-2.7 0, 0.0 3,-0.7 0.817 92.1 59.5 -45.8 -44.7 92.9 53.8 -2.0 311 26 B E H 3> S+ 0 0 107 1,-0.3 4,-0.7 2,-0.2 -13,-0.1 0.703 105.6 51.1 -67.6 -13.3 93.6 54.7 1.7 312 27 B A H <> S+ 0 0 0 -3,-2.2 4,-2.5 2,-0.2 -1,-0.3 0.720 109.1 48.9 -93.0 -25.8 94.3 51.0 2.4 313 28 B L H X S+ 0 0 45 -4,-0.7 3,-1.3 1,-0.2 4,-0.7 0.975 114.0 45.3 -73.1 -53.2 98.9 51.7 3.8 316 31 B L H >< S+ 0 0 0 -4,-2.5 3,-0.6 1,-0.3 -1,-0.2 0.771 106.8 62.6 -54.0 -35.1 100.0 48.4 2.2 317 32 B S H 3< S+ 0 0 51 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.822 101.8 50.6 -71.1 -17.4 102.3 50.4 -0.0 318 33 B A H << S+ 0 0 73 -3,-1.3 2,-0.6 -4,-0.9 -1,-0.2 0.629 90.8 91.4 -90.5 -14.5 104.3 51.5 3.0 319 34 B I << + 0 0 17 -4,-0.7 244,-1.1 -3,-0.6 58,-0.0 -0.747 44.6 171.5 -93.9 121.0 104.6 47.9 4.4 320 35 B T + 0 0 95 -2,-0.6 -1,-0.1 242,-0.2 3,-0.1 0.465 43.7 97.1-116.3 -5.8 107.8 46.2 3.3 321 36 B Q S S- 0 0 75 1,-0.1 242,-0.7 241,-0.1 55,-0.1 -0.465 84.6 -90.6 -76.0 157.2 108.0 43.0 5.4 322 37 B P B -U 562 0I 30 0, 0.0 55,-3.1 0, 0.0 2,-0.5 -0.337 44.8-130.9 -62.3 159.5 106.7 39.7 4.1 323 38 B M E -p 377 0H 0 238,-1.9 230,-2.6 230,-0.3 2,-0.5 -0.924 17.1-161.3-130.3 122.1 103.1 38.8 4.6 324 39 B V E -p 378 0H 0 53,-2.4 55,-3.7 -2,-0.5 2,-0.5 -0.922 27.7-156.7 -87.5 128.1 101.2 35.8 5.9 325 40 B V E -p 379 0H 0 -2,-0.5 84,-2.5 226,-0.4 85,-2.0 -0.920 13.7-175.2-119.1 119.7 97.6 36.2 4.7 326 41 B V E -pq 380 410H 0 53,-3.1 55,-3.1 -2,-0.5 2,-0.3 -0.951 6.4-178.8-118.7 125.7 94.6 34.6 6.3 327 42 B A E -pq 381 411H 0 83,-2.1 85,-2.6 -2,-0.5 2,-0.4 -0.882 8.3-159.8-118.2 159.8 91.2 34.9 4.9 328 43 B I E +pq 382 412H 1 53,-1.6 55,-0.7 -2,-0.3 2,-0.3 -0.991 13.8 165.1-143.8 135.5 87.9 33.7 6.0 329 44 B V E + q 0 413H 1 83,-2.3 85,-3.2 -2,-0.4 2,-0.3 -0.970 13.3 120.1-146.0 164.8 84.7 33.1 4.3 330 45 B G E - q 0 414H 0 -2,-0.3 56,-2.2 54,-0.3 85,-0.2 -0.905 64.4 -34.2 159.5 169.3 81.4 31.3 4.8 331 46 B L B S-v 386 0J 51 83,-0.6 3,-0.3 -2,-0.3 56,-0.2 -0.224 74.3 -96.3 -47.9 152.3 77.7 31.9 5.1 332 47 B Y S S+ 0 0 6 54,-2.8 -1,-0.1 1,-0.2 52,-0.1 -0.190 102.2 30.5 -73.8 155.7 76.8 35.1 6.6 333 48 B R S S+ 0 0 39 -3,-0.1 -1,-0.2 1,-0.1 -165,-0.1 0.902 82.4 120.9 62.5 55.8 75.9 35.4 10.3 334 49 B T S S- 0 0 12 -3,-0.3 -2,-0.1 -4,-0.1 -3,-0.1 0.256 86.6 -98.2-139.2 6.8 78.1 32.7 11.2 335 50 B G S > S+ 0 0 31 17,-0.1 4,-1.6 3,-0.0 5,-0.1 0.793 75.0 137.4 81.0 28.8 80.6 34.3 13.7 336 51 B K H > + 0 0 10 2,-0.2 4,-2.3 -5,-0.2 5,-0.1 0.928 68.6 48.2 -69.6 -54.7 83.4 34.9 11.2 337 52 B S H > S+ 0 0 11 1,-0.2 4,-1.6 2,-0.2 13,-0.2 0.886 110.5 54.5 -59.6 -36.3 84.4 38.4 12.3 338 53 B Y H > S+ 0 0 15 2,-0.2 4,-0.8 1,-0.2 3,-0.5 0.951 108.9 45.7 -59.0 -53.6 84.5 37.2 15.9 339 54 B L H >X S+ 0 0 0 -4,-1.6 3,-1.3 1,-0.2 4,-0.8 0.918 107.8 59.6 -59.9 -34.8 86.8 34.3 15.2 340 55 B M H >X S+ 0 0 2 -4,-2.3 3,-0.9 1,-0.3 4,-0.7 0.841 99.0 56.2 -62.3 -42.5 89.0 36.6 13.1 341 56 B N H 3<>S+ 0 0 5 -4,-1.6 5,-1.7 -3,-0.5 4,-0.3 0.730 97.2 65.7 -57.9 -28.3 89.6 39.0 16.1 342 57 B K H X<5S+ 0 0 32 -3,-1.3 3,-0.8 -4,-0.8 -1,-0.2 0.846 95.4 55.6 -68.7 -28.1 90.9 36.0 17.9 343 58 B L H <<5S+ 0 0 4 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.735 107.3 49.6 -74.6 -24.1 93.8 35.7 15.5 344 59 B A T 3<5S- 0 0 20 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.489 110.1-127.3 -88.1 -6.7 94.8 39.2 16.2 345 60 B G T < 5S+ 0 0 61 -3,-0.8 2,-0.3 -4,-0.3 -3,-0.2 0.888 70.3 109.3 58.0 42.7 94.6 38.6 20.0 346 61 B K < - 0 0 120 -5,-1.7 2,-0.4 0, 0.0 -1,-0.2 -0.882 65.8-131.0-128.8 164.2 92.3 41.4 20.7 347 62 B K S S+ 0 0 90 -2,-0.3 177,-0.1 1,-0.2 178,-0.1 -0.896 86.4 25.2-105.0 151.7 88.8 42.0 21.6 348 63 B K S S+ 0 0 154 -2,-0.4 -1,-0.2 2,-0.1 2,-0.2 0.688 77.6 107.7 60.7 128.6 87.2 44.5 19.4 349 64 B G S S+ 0 0 14 1,-0.4 2,-0.2 -3,-0.1 -11,-0.1 -0.592 71.4 42.6 178.2-103.2 88.5 44.9 16.0 350 65 B F S S- 0 0 3 -13,-0.2 -1,-0.4 -2,-0.2 -9,-0.1 -0.489 99.2-114.2 -57.0 127.9 86.6 43.6 13.1 351 66 B S - 0 0 58 -2,-0.2 -14,-0.1 -3,-0.1 -1,-0.1 -0.399 27.4-155.5 -90.8 159.5 83.1 44.7 14.0 352 67 B L - 0 0 30 -2,-0.1 8,-0.2 -15,-0.1 -15,-0.2 0.912 0.4-157.5-107.1 -69.7 80.3 42.3 14.9 353 68 B G - 0 0 32 1,-0.1 6,-0.1 6,-0.1 7,-0.1 0.772 9.3-148.3 75.2 131.9 76.6 43.0 14.6 354 69 B S + 0 0 42 167,-0.1 -185,-2.8 -186,-0.1 -1,-0.1 0.274 63.6 82.4-119.4 4.1 74.1 40.9 16.7 355 70 B T B S-k 169 0E 24 2,-0.3 -185,-0.2 -187,-0.2 -183,-0.1 -0.096 90.7 -95.4-103.5-165.4 70.9 40.8 14.4 356 71 B V S S+ 0 0 2 -185,-0.8 2,-0.2 -187,-0.7 -184,-0.1 0.517 97.7 92.2 -90.9 -12.9 69.7 38.8 11.4 357 72 B Q S S- 0 0 30 -186,-0.3 -2,-0.3 1,-0.1 2,-0.1 -0.583 86.5-105.0 -76.5 152.5 71.0 41.4 9.1 358 73 B S - 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