==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/LIGASE INHIBITOR 11-MAY-11 3RZ3 . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2 R1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.F.CECCARELLI,D.R.WEBB,F.SICHERI . 630 8 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34324.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 411 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 14.0 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 . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 30 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 0 0 0 0 0 1 0 1 3 4 1 2 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 6 0 0 4 4 0 4 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 . 0 0 1 3 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 6 A S 0 0 144 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.2 37.4 -23.7 -33.7 2 7 A P >> - 0 0 66 0, 0.0 3,-1.3 0, 0.0 4,-0.7 -0.239 360.0-137.9 -54.5 128.7 33.6 -22.8 -34.1 3 8 A S H 3> S+ 0 0 91 1,-0.3 4,-1.7 2,-0.2 3,-0.4 0.817 102.5 65.4 -50.4 -40.3 32.0 -21.6 -31.0 4 9 A S H 3> S+ 0 0 1 57,-0.5 4,-3.0 1,-0.2 -1,-0.3 0.811 89.4 67.1 -55.3 -32.5 29.0 -23.8 -32.0 5 10 A Q H <> S+ 0 0 86 -3,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.916 105.4 38.2 -63.2 -49.4 31.1 -27.0 -31.6 6 11 A K H X S+ 0 0 60 -4,-0.7 4,-1.9 -3,-0.4 -1,-0.2 0.857 114.0 54.8 -70.2 -39.9 31.5 -26.8 -27.9 7 12 A A H X S+ 0 0 31 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.932 113.0 44.4 -60.6 -40.9 28.0 -25.4 -27.3 8 13 A L H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.927 110.0 52.2 -73.4 -38.4 26.6 -28.5 -29.2 9 14 A L H X S+ 0 0 92 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.900 114.2 45.7 -62.3 -38.7 28.8 -31.2 -27.5 10 15 A L H X S+ 0 0 126 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.920 113.3 48.0 -67.8 -42.4 27.7 -29.8 -24.1 11 16 A E H X S+ 0 0 36 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.958 111.0 51.8 -69.4 -43.5 24.0 -29.7 -25.1 12 17 A L H X S+ 0 0 21 -4,-3.2 4,-1.0 2,-0.2 -1,-0.2 0.930 111.8 47.0 -53.0 -49.0 24.2 -33.3 -26.5 13 18 A K H >X S+ 0 0 116 -4,-2.0 4,-2.3 -5,-0.2 3,-0.8 0.945 109.7 52.9 -62.2 -48.4 25.8 -34.5 -23.2 14 19 A G H 3X S+ 0 0 28 -4,-2.6 4,-2.7 1,-0.3 -1,-0.2 0.884 112.2 46.2 -52.6 -41.6 23.2 -32.6 -21.1 15 20 A L H 3< S+ 0 0 8 -4,-2.3 10,-0.3 1,-0.2 -1,-0.3 0.634 111.4 49.1 -82.7 -16.5 20.4 -34.3 -23.0 16 21 A Q H << S+ 0 0 106 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.781 117.7 42.2 -87.9 -26.0 21.8 -37.7 -22.9 17 22 A E H < S+ 0 0 134 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.835 132.6 21.1 -83.1 -38.2 22.4 -37.4 -19.1 18 23 A E S < S- 0 0 54 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.1 -0.696 88.9-164.0-131.8 79.4 19.0 -35.7 -18.3 19 24 A P - 0 0 74 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.197 27.0-109.7 -62.7 154.5 16.8 -36.6 -21.2 20 25 A V > - 0 0 9 -5,-0.2 3,-2.6 1,-0.1 2,-0.0 -0.732 54.9 -93.7 -74.4 133.0 13.6 -34.8 -21.9 21 26 A E T 3 S+ 0 0 85 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 -0.315 111.6 14.2 -50.6 128.9 10.9 -37.4 -21.1 22 27 A G T 3 S+ 0 0 35 1,-0.2 19,-2.3 20,-0.1 2,-0.3 0.257 109.4 99.5 84.9 -13.8 10.0 -39.3 -24.2 23 28 A F E < -A 40 0A 11 -3,-2.6 2,-0.4 17,-0.2 -1,-0.2 -0.851 45.5-173.6-114.3 148.1 13.0 -38.1 -26.3 24 29 A R E -A 39 0A 132 15,-1.9 15,-3.1 -2,-0.3 2,-0.4 -0.986 13.2-162.9-139.3 122.9 16.3 -39.7 -27.1 25 30 A V E +A 38 0A 10 -2,-0.4 2,-0.3 -10,-0.3 13,-0.2 -0.851 20.2 147.8-112.6 135.5 18.9 -37.6 -28.9 26 31 A T E -A 37 0A 65 11,-2.2 11,-1.7 -2,-0.4 2,-0.2 -0.936 47.1 -92.7-146.8 175.6 22.0 -38.9 -30.8 27 32 A L E -A 36 0A 46 -2,-0.3 9,-0.3 9,-0.3 6,-0.1 -0.615 51.8 -93.9 -78.0 159.3 24.1 -37.8 -33.8 28 33 A V > - 0 0 3 7,-2.1 3,-2.5 4,-0.5 4,-0.3 -0.288 51.7 -90.8 -61.5 163.9 23.3 -39.3 -37.2 29 34 A D T 3 S+ 0 0 155 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.595 124.1 59.7 -61.2 -17.7 25.4 -42.4 -38.0 30 35 A E T 3 S- 0 0 163 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.533 112.2-115.2 -91.3 -8.1 28.2 -40.5 -39.7 31 36 A G < + 0 0 47 -3,-2.5 2,-0.9 1,-0.3 -2,-0.1 0.763 51.8 165.7 85.0 30.9 28.9 -38.5 -36.6 32 37 A D > - 0 0 71 -4,-0.3 3,-2.1 3,-0.2 -4,-0.5 -0.689 28.1-155.9 -82.0 106.2 28.0 -35.1 -37.8 33 38 A L T 3 S+ 0 0 23 -2,-0.9 -1,-0.2 1,-0.3 3,-0.1 0.675 92.1 59.6 -43.6 -29.5 27.7 -32.9 -34.7 34 39 A Y T 3 S+ 0 0 40 1,-0.2 25,-2.7 24,-0.1 2,-0.4 0.355 99.4 57.8 -90.6 9.6 25.4 -30.6 -36.8 35 40 A N E < - B 0 58A 38 -3,-2.1 -7,-2.1 23,-0.2 2,-0.4 -0.916 68.8-170.7-148.3 104.7 22.7 -33.2 -37.5 36 41 A W E -AB 27 57A 0 21,-2.3 21,-2.2 -2,-0.4 2,-0.4 -0.853 17.5-137.4-105.8 137.5 20.9 -35.0 -34.6 37 42 A E E -AB 26 56A 43 -11,-1.7 -11,-2.2 -2,-0.4 2,-0.5 -0.741 19.1-161.6 -83.3 138.3 18.5 -38.0 -34.6 38 43 A V E -AB 25 55A 2 17,-2.6 17,-2.6 -2,-0.4 2,-0.5 -0.986 4.6-164.4-127.7 118.8 15.6 -37.6 -32.3 39 44 A A E -AB 24 54A 17 -15,-3.1 -15,-1.9 -2,-0.5 2,-0.4 -0.891 12.1-166.7-102.5 130.8 13.6 -40.7 -31.3 40 45 A I E -AB 23 53A 7 13,-2.6 13,-3.2 -2,-0.5 2,-0.4 -0.978 5.6-156.5-129.2 127.5 10.3 -39.8 -29.7 41 46 A F E - B 0 52A 32 -19,-2.3 11,-0.2 -2,-0.4 8,-0.1 -0.854 21.8-120.2-107.2 131.9 8.0 -42.1 -27.8 42 47 A G - 0 0 13 9,-1.1 8,-0.9 6,-0.5 -20,-0.1 -0.494 36.6-122.6 -64.9 132.8 4.2 -41.7 -27.4 43 48 A P > - 0 0 73 0, 0.0 3,-0.7 0, 0.0 6,-0.2 -0.473 31.4 -88.4 -79.1 153.0 3.4 -41.4 -23.6 44 49 A P T 3 S+ 0 0 96 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.106 109.3 28.2 -53.2 151.9 1.0 -43.8 -21.8 45 50 A N T 3 S+ 0 0 59 1,-0.2 2,-0.3 314,-0.1 315,-0.0 0.773 102.4 96.3 67.4 24.7 -2.8 -42.8 -21.7 46 51 A T S X S- 0 0 38 -3,-0.7 3,-1.3 -4,-0.0 -1,-0.2 -0.920 88.3-109.8-130.2 167.6 -2.6 -41.0 -25.1 47 52 A Y T 3 S+ 0 0 23 -2,-0.3 104,-0.1 1,-0.2 -5,-0.1 0.646 116.5 63.5 -68.5 -12.2 -3.4 -42.1 -28.6 48 53 A Y T > S+ 0 0 43 -5,-0.2 3,-2.6 -4,-0.1 -6,-0.5 0.458 74.2 132.1 -87.2 -2.8 0.3 -41.9 -29.3 49 54 A E T < S+ 0 0 48 -3,-1.3 3,-0.1 1,-0.3 286,-0.1 -0.236 71.1 19.1 -62.6 136.6 1.1 -44.6 -26.8 50 55 A G T 3 S+ 0 0 37 -8,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.182 96.7 140.9 84.5 -11.4 3.4 -47.4 -28.1 51 56 A G < - 0 0 0 -3,-2.6 -9,-1.1 -8,-0.1 2,-0.4 -0.225 39.7-163.0 -60.9 146.8 4.6 -45.0 -30.9 52 57 A Y E +B 41 0A 11 99,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.921 18.0 178.1-127.5 106.4 8.1 -44.7 -32.1 53 58 A F E -B 40 0A 5 -13,-3.2 -13,-2.6 -2,-0.4 2,-0.4 -0.876 13.7-151.5-116.0 144.5 8.5 -41.4 -34.1 54 59 A K E +B 39 0A 31 -2,-0.4 19,-3.1 -15,-0.2 20,-1.7 -0.901 20.6 162.4-119.2 139.2 11.8 -40.2 -35.7 55 60 A A E -BC 38 72A 2 -17,-2.6 -17,-2.6 -2,-0.4 2,-0.3 -0.897 22.8-132.3-141.4 176.6 12.8 -36.7 -36.3 56 61 A R E -BC 37 71A 59 15,-2.9 15,-1.8 -2,-0.3 2,-0.5 -0.992 2.6-155.9-138.2 141.5 15.9 -34.6 -37.1 57 62 A L E -BC 36 70A 0 -21,-2.2 -21,-2.3 -2,-0.3 2,-0.5 -0.945 12.4-166.3-110.5 131.6 17.5 -31.4 -35.9 58 63 A K E -BC 35 69A 42 11,-2.4 11,-2.4 -2,-0.5 -23,-0.2 -0.984 11.6-158.7-120.1 115.3 19.8 -29.7 -38.4 59 64 A F - 0 0 13 -25,-2.7 2,-0.1 -2,-0.5 -25,-0.0 -0.673 11.1-127.8 -98.5 144.1 22.0 -27.0 -36.7 60 65 A P > - 0 0 37 0, 0.0 3,-1.5 0, 0.0 6,-0.1 -0.436 26.0-112.2 -86.5 173.4 23.7 -24.1 -38.5 61 66 A I T 3 S+ 0 0 114 1,-0.3 -57,-0.5 -2,-0.1 -56,-0.1 0.774 117.5 54.2 -74.2 -19.9 27.4 -23.4 -38.0 62 67 A D T > S+ 0 0 69 -59,-0.1 3,-2.3 -58,-0.1 -1,-0.3 0.335 90.7 176.0 -98.6 9.6 26.7 -20.2 -36.2 63 68 A Y T < + 0 0 2 -3,-1.5 -56,-0.2 1,-0.3 -55,-0.1 -0.312 59.3 28.9 -51.0 137.1 24.4 -22.0 -33.5 64 69 A P T 3 S+ 0 0 26 0, 0.0 -1,-0.3 0, 0.0 36,-0.2 -0.928 114.7 61.4-100.1 18.2 23.0 -20.6 -31.2 65 70 A Y S < S+ 0 0 165 -3,-2.3 -2,-0.2 1,-0.1 34,-0.1 0.780 117.0 34.3 -73.6 -22.5 22.9 -17.2 -32.9 66 71 A S S S- 0 0 43 -4,-0.2 -1,-0.1 -6,-0.1 31,-0.0 -0.975 95.9-109.9-125.4 152.3 20.6 -18.9 -35.5 67 72 A P - 0 0 43 0, 0.0 -5,-0.1 0, 0.0 25,-0.1 -0.305 23.8-118.7 -79.3 150.0 18.1 -21.7 -34.8 68 73 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -9,-0.2 -0.243 30.0-116.0 -72.4 176.1 18.3 -25.3 -35.8 69 74 A A E -C 58 0A 61 -11,-2.4 -11,-2.4 2,-0.0 2,-0.4 -0.955 24.2-155.0-111.8 140.4 15.7 -26.8 -38.1 70 75 A F E +C 57 0A 7 -2,-0.4 17,-0.5 -13,-0.2 2,-0.3 -0.943 17.7 168.8-116.3 138.7 13.4 -29.5 -36.8 71 76 A R E -CD 56 86A 98 -15,-1.8 -15,-2.9 -2,-0.4 2,-0.3 -0.988 30.8-129.3-150.2 128.9 11.6 -32.1 -39.1 72 77 A F E -C 55 0A 5 13,-1.8 -17,-0.3 -2,-0.3 4,-0.1 -0.593 11.9-169.8 -65.6 135.1 9.8 -35.3 -38.6 73 78 A L S S+ 0 0 68 -19,-3.1 -18,-0.2 -2,-0.3 -1,-0.1 0.787 74.0 76.9 -88.2 -44.4 11.0 -38.2 -40.7 74 79 A T S S- 0 0 18 -20,-1.7 2,-0.2 1,-0.1 -2,-0.1 -0.412 97.5-112.1 -57.9 135.9 7.9 -40.3 -39.7 75 80 A K - 0 0 76 75,-0.1 2,-0.4 -2,-0.1 -1,-0.1 -0.532 43.2-170.6 -70.9 134.9 4.8 -39.2 -41.5 76 81 A M - 0 0 15 6,-0.3 2,-0.7 -2,-0.2 9,-0.2 -0.991 24.6-144.3-139.7 143.0 2.4 -37.6 -39.0 77 82 A W + 0 0 55 -2,-0.4 5,-0.1 66,-0.1 3,-0.1 -0.853 47.8 128.1-108.2 112.1 -1.1 -36.4 -39.1 78 83 A H > - 0 0 0 -2,-0.7 3,-2.0 3,-0.4 49,-0.2 -0.932 66.9-116.4-166.0 138.7 -1.5 -33.2 -37.0 79 84 A P T 3 S+ 0 0 0 0, 0.0 43,-3.4 0, 0.0 44,-2.1 0.777 116.0 43.9 -55.5 -23.5 -2.9 -29.6 -37.5 80 85 A N T 3 S+ 0 0 4 42,-0.2 8,-1.3 41,-0.2 2,-0.5 0.208 95.5 78.9-109.7 18.8 0.6 -28.4 -36.9 81 86 A I B < S-E 87 0B 0 -3,-2.0 -3,-0.4 6,-0.2 6,-0.2 -0.987 72.1-130.6-128.4 129.4 2.9 -30.6 -38.9 82 87 A Y > - 0 0 19 4,-2.5 3,-2.9 -2,-0.5 -6,-0.3 -0.386 27.2-107.4 -73.1 153.9 3.4 -30.2 -42.7 83 88 A E T 3 S+ 0 0 108 39,-0.3 -7,-0.1 1,-0.3 -1,-0.1 0.866 123.0 56.6 -34.0 -46.6 3.2 -33.1 -45.2 84 89 A T T 3 S- 0 0 65 1,-0.1 -1,-0.3 -9,-0.1 3,-0.1 0.510 120.6-107.3 -67.9 -11.7 6.9 -32.6 -45.4 85 90 A G S < S+ 0 0 6 -3,-2.9 -13,-1.8 1,-0.3 -2,-0.1 0.145 74.6 136.5 96.5 -22.7 7.6 -33.1 -41.7 86 91 A D B -D 71 0A 60 -15,-0.2 -4,-2.5 -5,-0.1 -1,-0.3 -0.203 45.1-135.3 -60.6 163.1 8.4 -29.4 -41.0 87 92 A V B -E 81 0B 22 -17,-0.5 2,-0.9 -6,-0.2 -6,-0.2 -0.802 11.8-121.7-131.2 155.8 6.8 -28.1 -37.9 88 93 A C + 0 0 35 -8,-1.3 2,-0.6 -2,-0.3 32,-0.1 -0.578 52.8 146.9 -95.7 66.7 4.9 -24.9 -36.7 89 94 A I > - 0 0 17 -2,-0.9 3,-1.3 1,-0.2 -2,-0.1 -0.906 35.2-162.0-120.4 115.0 7.2 -23.6 -33.8 90 95 A S T 3 S+ 0 0 60 -2,-0.6 6,-0.4 1,-0.3 -1,-0.2 0.941 88.0 63.8 -59.0 -48.0 7.5 -20.0 -33.2 91 96 A I T 3 0 0 21 1,-0.3 -1,-0.3 4,-0.2 6,-0.1 0.758 360.0 360.0 -59.5 -17.9 10.6 -20.2 -31.2 92 97 A L < 0 0 56 -3,-1.3 -1,-0.3 3,-0.1 -2,-0.2 0.441 360.0 360.0 -75.6 360.0 12.4 -21.4 -34.3 93 ! 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 94 112 A E 0 0 101 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -27.3 8.5 -16.6 -28.4 95 113 A R - 0 0 67 -3,-0.1 -4,-0.2 -4,-0.1 -3,-0.1 -0.829 360.0 -70.5-119.7 169.1 11.1 -16.1 -31.1 96 114 A W + 0 0 37 -6,-0.4 -4,-0.1 -2,-0.3 -1,-0.1 -0.263 51.6 174.4 -63.0 141.7 14.7 -17.4 -31.4 97 115 A N > - 0 0 73 -6,-0.1 3,-1.7 -33,-0.1 -31,-0.1 -0.939 46.5-112.4-137.1 158.3 17.5 -16.1 -29.1 98 116 A P T 3 S+ 0 0 71 0, 0.0 -33,-0.1 0, 0.0 -32,-0.1 0.594 118.2 57.3 -67.9 -7.0 21.0 -17.0 -28.4 99 117 A T T 3 S+ 0 0 116 -34,-0.1 2,-0.2 2,-0.1 -34,-0.1 0.425 84.1 93.9-104.6 -0.2 19.8 -18.1 -25.0 100 118 A Q < - 0 0 33 -3,-1.7 2,-0.3 -36,-0.2 3,-0.0 -0.520 58.8-175.2 -82.2 164.5 17.3 -20.6 -26.2 101 119 A N > - 0 0 55 -2,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.860 40.6 -83.8-153.7 178.7 18.6 -24.2 -26.5 102 120 A V H > S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.898 120.8 58.4 -65.7 -41.4 17.8 -27.8 -27.6 103 121 A R H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.938 108.3 46.0 -52.6 -45.4 16.0 -28.6 -24.3 104 122 A T H > S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.938 110.8 53.6 -66.4 -35.5 13.6 -25.7 -24.9 105 123 A I H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.904 109.3 48.5 -62.0 -37.8 13.0 -26.7 -28.6 106 124 A L H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.895 110.7 49.3 -75.4 -38.9 12.2 -30.2 -27.5 107 125 A L H X S+ 0 0 94 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.850 108.2 54.4 -66.8 -32.0 9.7 -29.1 -24.9 108 126 A S H X S+ 0 0 30 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.826 106.5 53.2 -76.4 -21.3 8.1 -26.7 -27.4 109 127 A V H X S+ 0 0 0 -4,-1.6 4,-3.3 -5,-0.2 -2,-0.2 0.940 108.0 48.9 -68.1 -47.3 7.6 -29.8 -29.7 110 128 A I H X S+ 0 0 51 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