==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 18-NOV-11 3UPF . COMPND 2 MOLECULE: RNA-DEPENDENT RNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MURINE NOROVIRUS 1; . AUTHOR M.MILANI,E.MASTRANGELO,M.BOLOGNESI . 1430 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64448.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 902 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 166 11.6 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 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 18 1.3 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 . 1 0.1 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 . 74 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 466 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 3 0 3 3 1 9 4 0 8 4 0 4 1 0 2 1 3 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 PARALLEL BRIDGES PER LADDER . 11 9 6 9 0 6 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 . 6 6 0 6 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 L 0 0 206 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 108.6 -4.6 -33.1 61.9 2 3 A P - 0 0 109 0, 0.0 13,-0.0 0, 0.0 0, 0.0 -0.598 360.0 -84.8 -87.6 158.5 -0.8 -33.1 62.3 3 4 A R - 0 0 152 -2,-0.2 12,-0.1 1,-0.1 10,-0.0 -0.304 50.2-120.7 -52.9 136.9 1.7 -35.0 60.0 4 5 A P - 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.248 31.7-163.9 -73.6 174.9 2.0 -38.6 61.1 5 6 A S + 0 0 103 2,-0.1 2,-0.3 10,-0.0 9,-0.1 -0.948 31.7 78.8-151.8 171.3 5.4 -39.9 62.1 6 7 A G S S- 0 0 42 7,-0.5 7,-3.0 -2,-0.3 2,-0.4 -0.887 71.5 -47.9 126.8-158.3 7.2 -43.2 62.7 7 8 A T E -A 12 0A 106 -2,-0.3 2,-0.4 5,-0.3 -2,-0.1 -0.954 33.5-174.9-126.6 136.1 8.8 -45.9 60.7 8 9 A Y E > S-A 11 0A 30 3,-3.2 3,-2.7 -2,-0.4 -2,-0.0 -0.995 80.3 -21.5-130.1 123.6 7.6 -47.9 57.7 9 10 A A T 3 S- 0 0 22 -2,-0.4 61,-0.1 1,-0.3 -1,-0.1 0.867 127.8 -51.1 41.0 48.5 9.8 -50.7 56.4 10 11 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.3 59,-0.0 -3,-0.0 0.483 120.6 107.8 76.2 2.6 12.8 -49.2 58.1 11 12 A L E < S-A 8 0A 7 -3,-2.7 -3,-3.2 282,-0.0 -1,-0.2 -0.867 76.2-103.0-116.6 145.6 12.2 -45.8 56.5 12 13 A P E -A 7 0A 52 0, 0.0 280,-2.3 0, 0.0 2,-0.3 -0.459 30.2-128.4 -70.0 133.8 10.9 -42.6 58.2 13 14 A I E +B 291 0B 20 -7,-3.0 -7,-0.5 278,-0.2 278,-0.2 -0.645 29.9 172.4 -74.0 139.8 7.2 -41.7 57.7 14 15 A A E - 0 0 17 276,-2.9 2,-0.3 1,-0.4 277,-0.2 0.569 57.8 -22.1-121.8 -26.0 6.8 -38.1 56.5 15 16 A D E S-B 290 0B 36 275,-1.8 275,-3.7 -12,-0.1 -1,-0.4 -0.981 75.1 -67.2-171.3 171.5 3.1 -37.8 55.7 16 17 A Y E -B 289 0B 104 273,-0.3 273,-0.4 -2,-0.3 2,-0.2 -0.444 54.0-114.5 -69.8 152.6 -0.1 -39.5 54.8 17 18 A G - 0 0 18 271,-2.3 273,-0.1 -2,-0.1 -1,-0.1 -0.538 23.2-172.6 -93.1 155.5 -0.4 -41.2 51.4 18 19 A D + 0 0 87 -2,-0.2 270,-0.1 271,-0.1 -1,-0.1 0.244 48.1 125.9-124.4 4.4 -2.7 -40.3 48.5 19 20 A A - 0 0 19 268,-0.5 3,-0.1 270,-0.1 -2,-0.1 -0.363 61.0-120.6 -71.9 143.2 -1.8 -43.4 46.4 20 21 A P - 0 0 69 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.404 47.8 -79.4 -76.3 163.2 -4.4 -45.7 45.0 21 22 A P - 0 0 120 0, 0.0 266,-0.1 0, 0.0 3,-0.1 -0.158 54.2 -90.3 -68.8 159.0 -4.2 -49.3 46.1 22 23 A L - 0 0 24 1,-0.1 2,-0.2 -3,-0.1 36,-0.1 -0.366 49.8 -99.6 -65.6 143.7 -1.8 -51.8 44.6 23 24 A S - 0 0 67 141,-0.1 -1,-0.1 1,-0.1 141,-0.1 -0.446 27.3-169.6 -67.1 131.2 -3.1 -53.7 41.5 24 25 A T + 0 0 45 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.082 64.7 85.2-103.5 19.6 -4.2 -57.2 42.2 25 26 A K - 0 0 98 25,-0.0 2,-0.3 399,-0.0 398,-0.2 -0.813 61.9-146.6-123.8 160.9 -4.4 -57.8 38.5 26 27 A T E -F 422 0C 0 396,-2.3 396,-2.0 -2,-0.3 398,-0.1 -0.948 13.8-147.2-124.4 149.8 -2.2 -58.9 35.5 27 28 A M E S+ 0 0 53 -2,-0.3 392,-2.2 394,-0.2 2,-0.3 0.473 72.4 101.3 -86.7 -6.3 -2.3 -57.9 31.9 28 29 A F E +F 418 0C 21 390,-0.2 2,-0.3 394,-0.1 390,-0.2 -0.610 46.4 178.5 -90.5 141.4 -1.1 -61.3 30.8 29 30 A W E -F 417 0C 23 388,-2.0 388,-2.2 -2,-0.3 399,-0.2 -0.976 30.8-109.1-136.4 145.4 -3.3 -64.0 29.4 30 31 A R E -Fg 416 428C 9 397,-1.6 399,-0.9 395,-0.7 386,-0.2 -0.335 14.9-143.7 -69.8 159.6 -2.6 -67.5 28.2 31 32 A T S S+ 0 0 35 384,-1.6 385,-0.1 1,-0.3 -1,-0.1 0.545 84.3 22.5-102.4 -12.1 -2.8 -68.3 24.5 32 33 A S S S- 0 0 47 383,-0.3 -1,-0.3 2,-0.2 -2,-0.0 -0.977 74.3-124.6-149.7 149.0 -4.2 -71.8 24.9 33 34 A P S S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 0.642 73.5 120.6 -70.5 -11.8 -6.0 -73.5 27.7 34 35 A E S S- 0 0 135 1,-0.1 -2,-0.2 -3,-0.0 -3,-0.1 -0.107 76.0 -92.3 -54.9 145.9 -3.4 -76.3 27.8 35 36 A K - 0 0 169 1,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.344 45.4-108.3 -62.3 138.4 -1.4 -76.9 31.0 36 37 A L - 0 0 37 1,-0.1 3,-0.1 -3,-0.1 -1,-0.1 -0.352 36.0-104.1 -68.4 142.4 1.9 -75.0 31.2 37 38 A P > - 0 0 68 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.176 55.2 -73.9 -57.4 162.8 5.1 -77.0 30.9 38 39 A P T 3 S+ 0 0 131 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.356 117.3 6.7 -58.6 138.6 7.1 -77.7 34.1 39 40 A G T 3 S+ 0 0 58 1,-0.2 2,-0.2 -3,-0.1 133,-0.1 0.618 91.2 159.1 63.3 16.0 8.9 -74.6 35.5 40 41 A A < - 0 0 16 -3,-1.4 -1,-0.2 1,-0.1 129,-0.1 -0.496 44.4-101.9 -74.9 137.5 7.3 -72.3 32.9 41 42 A W - 0 0 89 -2,-0.2 129,-0.2 129,-0.1 -1,-0.1 -0.142 40.7-178.5 -58.6 150.1 7.2 -68.5 33.7 42 43 A E E -H 169 0D 18 127,-1.6 127,-3.0 125,-0.1 3,-0.1 -0.920 38.1 -74.3-145.1 160.8 4.0 -66.9 34.8 43 44 A P E -H 168 0D 0 0, 0.0 125,-0.3 0, 0.0 3,-0.1 -0.311 64.9 -89.6 -59.1 145.6 2.8 -63.3 35.7 44 45 A A - 0 0 0 123,-2.7 136,-0.1 121,-0.2 130,-0.1 -0.063 61.5 -66.7 -56.2 159.6 4.2 -62.0 39.1 45 46 A Y - 0 0 0 134,-0.5 -1,-0.1 128,-0.3 129,-0.0 -0.081 39.8-156.2 -55.1 140.4 2.2 -62.6 42.3 46 47 A L - 0 0 0 1,-0.3 3,-0.4 -3,-0.1 2,-0.1 0.303 37.4-109.7-110.2 9.9 -1.1 -60.8 42.6 47 48 A G > - 0 0 2 1,-0.2 3,-2.6 2,-0.1 -1,-0.3 -0.464 64.7 -26.6 97.3-169.6 -1.7 -60.6 46.4 48 49 A S T 3 S+ 0 0 96 1,-0.3 -1,-0.2 -2,-0.1 9,-0.1 0.760 134.4 56.5 -55.9 -28.5 -4.1 -62.2 48.9 49 50 A K T 3 S+ 0 0 140 -3,-0.4 2,-0.6 5,-0.0 -1,-0.3 0.447 76.9 123.4 -81.3 -2.4 -6.6 -62.7 46.1 50 51 A D X - 0 0 5 -3,-2.6 3,-0.9 1,-0.2 5,-0.1 -0.503 51.0-157.5 -69.8 111.9 -4.1 -64.7 44.0 51 52 A E T 3 S+ 0 0 137 -2,-0.6 -1,-0.2 372,-0.3 3,-0.1 0.690 83.9 65.0 -61.0 -22.4 -5.7 -68.1 43.2 52 53 A R T 3 S+ 0 0 30 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.761 112.4 0.1 -79.0 -30.0 -2.3 -69.7 42.6 53 54 A V < - 0 0 37 -3,-0.9 2,-0.9 -6,-0.2 -1,-0.2 -0.986 60.7-118.7-157.6 152.1 -0.8 -69.4 46.2 54 55 A D + 0 0 169 -2,-0.3 -6,-0.1 -3,-0.1 -3,-0.1 -0.859 56.2 140.1 -91.2 105.3 -1.3 -68.2 49.7 55 56 A G - 0 0 31 -2,-0.9 3,-0.1 1,-0.2 -5,-0.1 -0.675 52.4 -64.1-129.7-171.0 1.4 -65.6 50.3 56 57 A P - 0 0 50 0, 0.0 -1,-0.2 0, 0.0 -9,-0.1 -0.118 60.9 -80.0 -75.8 170.9 1.5 -62.2 52.1 57 58 A S >> - 0 0 45 -10,-0.1 4,-1.7 1,-0.1 3,-0.6 -0.323 41.1-113.9 -66.4 153.5 -0.3 -59.0 51.2 58 59 A L H 3> S+ 0 0 7 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.865 117.3 57.7 -58.0 -39.1 1.2 -56.9 48.4 59 60 A Q H 3> S+ 0 0 72 1,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.853 107.7 48.7 -59.7 -35.8 2.0 -54.0 50.8 60 61 A Q H <> S+ 0 0 65 -3,-0.6 4,-1.5 2,-0.2 -1,-0.3 0.833 111.1 49.4 -72.2 -33.6 4.1 -56.6 52.7 61 62 A V H X S+ 0 0 2 -4,-1.7 4,-1.4 2,-0.2 119,-0.2 0.909 113.2 47.5 -69.4 -41.8 5.7 -57.7 49.3 62 63 A M H X S+ 0 0 0 -4,-3.6 4,-1.3 2,-0.2 3,-0.5 0.931 105.9 57.3 -60.1 -50.8 6.4 -54.0 48.6 63 64 A R H X S+ 0 0 65 -4,-2.9 4,-0.6 1,-0.2 3,-0.4 0.863 104.2 54.5 -49.2 -40.5 7.8 -53.5 52.1 64 65 A D H >< S+ 0 0 40 -4,-1.5 3,-1.0 1,-0.2 -1,-0.2 0.893 104.1 54.0 -58.0 -44.7 10.3 -56.3 51.3 65 66 A Q H 3< S+ 0 0 51 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.761 106.3 52.9 -63.6 -27.6 11.4 -54.4 48.2 66 67 A L H >< S+ 0 0 0 -4,-1.3 3,-1.8 -3,-0.4 4,-0.4 0.605 84.9 89.5 -81.1 -16.5 12.1 -51.2 50.2 67 68 A K G XX S+ 0 0 96 -3,-1.0 3,-2.2 -4,-0.6 4,-0.5 0.913 83.0 51.7 -52.1 -51.4 14.4 -53.0 52.8 68 69 A P G 34 S+ 0 0 24 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.575 95.9 73.3 -67.8 -4.5 17.7 -52.6 50.9 69 70 A Y G <4 S+ 0 0 10 -3,-1.8 226,-0.4 1,-0.2 -2,-0.2 0.649 99.9 43.5 -79.5 -16.3 16.9 -48.8 50.6 70 71 A S T <4 S+ 0 0 59 -3,-2.2 -1,-0.2 -4,-0.4 -3,-0.1 0.496 91.0 114.0-100.2 -9.3 17.7 -48.5 54.3 71 72 A E S < S- 0 0 115 -4,-0.5 224,-0.0 1,-0.1 0, 0.0 -0.250 82.1 -92.3 -58.6 146.9 20.8 -50.7 54.0 72 73 A P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.342 45.5-110.4 -60.3 144.6 24.1 -48.9 54.6 73 74 A R - 0 0 54 1,-0.1 292,-0.2 -3,-0.1 176,-0.1 -0.367 27.5-119.8 -67.8 156.1 25.7 -47.4 51.4 74 75 A G - 0 0 23 290,-0.5 2,-0.4 174,-0.4 290,-0.2 -0.027 49.9 -67.6 -71.6-166.8 28.9 -49.0 50.1 75 76 A L - 0 0 108 288,-3.6 -1,-0.1 287,-0.1 175,-0.1 -0.725 40.8-115.1 -98.1 140.0 32.0 -46.8 49.8 76 77 A L - 0 0 68 -2,-0.4 3,-0.1 1,-0.1 -1,-0.1 -0.352 40.6-105.4 -56.5 135.3 32.7 -43.9 47.6 77 78 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.307 57.8 -71.5 -57.0 157.1 35.6 -44.5 45.1 78 79 A P >> - 0 0 52 0, 0.0 4,-2.6 0, 0.0 3,-2.0 -0.310 42.3-128.4 -61.1 129.2 38.8 -42.7 46.0 79 80 A Q H 3> S+ 0 0 99 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.843 109.2 57.7 -44.2 -46.8 38.4 -39.0 45.4 80 81 A E H 3> S+ 0 0 178 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.829 114.9 38.7 -52.1 -36.9 41.6 -38.9 43.3 81 82 A I H <> S+ 0 0 30 -3,-2.0 4,-2.3 2,-0.2 5,-0.3 0.887 110.9 56.4 -84.2 -44.6 40.0 -41.5 41.0 82 83 A L H X S+ 0 0 2 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.929 109.0 48.5 -51.0 -47.7 36.4 -40.1 41.1 83 84 A D H X S+ 0 0 59 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.890 111.7 45.4 -68.2 -43.6 37.5 -36.7 39.9 84 85 A A H X S+ 0 0 44 -4,-0.9 4,-1.9 -5,-0.2 -1,-0.2 0.878 116.1 47.7 -65.6 -40.9 39.8 -37.9 36.9 85 86 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.963 112.9 48.9 -62.1 -54.9 37.1 -40.3 35.8 86 87 A C H X S+ 0 0 1 -4,-3.2 4,-2.4 -5,-0.3 -2,-0.2 0.880 112.5 47.9 -49.5 -48.2 34.4 -37.6 36.1 87 88 A D H X S+ 0 0 98 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.850 110.6 51.6 -64.8 -36.6 36.6 -35.2 34.1 88 89 A A H X S+ 0 0 4 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.922 111.7 45.5 -70.3 -43.9 37.3 -37.7 31.4 89 90 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.921 113.8 49.7 -62.8 -44.9 33.6 -38.5 30.9 90 91 A E H X S+ 0 0 22 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.945 112.3 47.6 -62.6 -47.2 32.7 -34.9 30.9 91 92 A N H X S+ 0 0 74 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.946 110.4 53.2 -54.2 -50.3 35.4 -34.1 28.4 92 93 A R H X S+ 0 0 21 -4,-3.0 4,-0.9 1,-0.2 -2,-0.2 0.861 112.0 43.4 -54.9 -42.4 34.3 -37.1 26.2 93 94 A L H X S+ 0 0 0 -4,-2.3 4,-3.4 2,-0.2 3,-0.4 0.900 110.6 57.0 -72.1 -40.2 30.7 -35.9 26.1 94 95 A E H < S+ 0 0 95 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.938 110.6 44.1 -47.2 -53.7 31.9 -32.3 25.5 95 96 A N H < S+ 0 0 37 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.705 124.1 34.3 -68.2 -22.0 33.8 -33.5 22.4 96 97 A T H < S+ 0 0 1 -4,-0.9 2,-0.3 -3,-0.4 -2,-0.2 0.754 95.5 85.5-110.7 -28.6 31.0 -35.7 21.1 97 98 A L < - 0 0 16 -4,-3.4 108,-0.1 -5,-0.1 107,-0.1 -0.593 69.1-130.2 -85.6 137.2 27.6 -34.0 21.9 98 99 A E - 0 0 41 -2,-0.3 109,-0.1 106,-0.2 106,-0.1 -0.719 32.8-111.2 -79.0 123.2 26.0 -31.4 19.7 99 100 A P - 0 0 97 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.199 40.8-143.3 -50.2 143.1 24.9 -28.3 21.7 100 101 A Q - 0 0 49 -3,-0.0 3,-0.1 3,-0.0 101,-0.1 -0.724 11.4-120.0-115.8 161.2 21.1 -28.0 21.9 101 102 A K - 0 0 174 -2,-0.2 166,-0.1 1,-0.1 0, 0.0 -0.805 54.2 -88.1 -89.2 140.7 18.3 -25.4 21.9 102 103 A P - 0 0 39 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.025 42.2-109.7 -46.6 147.0 16.2 -25.4 25.1 103 104 A W - 0 0 24 93,-0.7 2,-0.1 92,-0.1 96,-0.0 -0.705 33.7-135.3 -80.9 133.1 13.2 -27.7 25.2 104 105 A T > - 0 0 69 -2,-0.4 4,-2.1 1,-0.1 5,-0.1 -0.283 20.9-110.7 -76.4 172.9 9.9 -25.8 25.1 105 106 A F H > S+ 0 0 60 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.892 122.0 54.3 -68.2 -44.3 7.0 -26.5 27.4 106 107 A K H > S+ 0 0 153 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.942 108.7 50.3 -50.5 -51.7 5.1 -27.8 24.3 107 108 A K H > S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.948 110.0 47.6 -51.0 -61.8 8.0 -30.2 23.6 108 109 A A H X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.3 -1,-0.2 0.807 111.7 52.2 -50.0 -41.9 8.1 -31.6 27.2 109 110 A C H >< S+ 0 0 5 -4,-2.3 3,-0.5 1,-0.2 -1,-0.3 0.889 110.4 46.5 -65.0 -41.8 4.4 -32.1 27.1 110 111 A E H 3< S+ 0 0 117 -4,-2.2 -2,-0.2 -3,-0.4 -1,-0.2 0.886 106.2 61.0 -70.1 -35.7 4.5 -34.0 23.8 111 112 A S H 3< S+ 0 0 60 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.684 80.5 103.8 -66.4 -20.3 7.4 -36.2 25.0 112 113 A L S << S- 0 0 18 -4,-0.7 2,-0.6 -3,-0.5 80,-0.0 -0.391 82.9-112.4 -67.5 138.1 5.5 -37.7 28.0 113 114 A D - 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