==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 19-MAR-05 1Z5S . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2 I; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.REVERTER,C.D.LIMA . 455 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22932.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 9.9 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 . 3 0.7 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 . 32 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 2 0 0 2 0 3 2 1 1 3 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 S 0 0 70 0, 0.0 65,-0.3 0, 0.0 66,-0.1 0.000 360.0 360.0 360.0-154.7 102.6 64.0 -32.6 2 3 A G - 0 0 66 63,-0.7 65,-0.1 65,-0.7 64,-0.1 0.345 360.0 -6.1-145.9 -72.3 105.0 61.1 -32.9 3 4 A I S > S+ 0 0 60 64,-0.4 4,-2.3 63,-0.2 3,-0.5 -0.195 80.7 133.3-131.9 39.9 107.3 60.5 -35.8 4 5 A A H > S+ 0 0 4 61,-0.4 4,-3.0 1,-0.2 5,-0.4 0.974 70.6 48.3 -54.7 -66.8 106.1 63.2 -38.2 5 6 A L H > S+ 0 0 105 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.654 115.8 47.2 -51.8 -20.6 109.4 64.7 -39.2 6 7 A S H > S+ 0 0 56 -3,-0.5 4,-3.5 2,-0.2 -1,-0.2 0.935 112.7 43.2 -86.6 -59.2 110.8 61.2 -40.0 7 8 A R H X S+ 0 0 0 -4,-2.3 4,-3.4 1,-0.2 5,-0.2 0.942 119.2 47.4 -50.0 -49.9 107.9 59.8 -42.0 8 9 A L H X S+ 0 0 0 -4,-3.0 4,-1.8 -5,-0.3 -1,-0.2 0.929 109.4 52.7 -57.5 -48.6 107.7 63.1 -43.8 9 10 A A H >X S+ 0 0 27 -4,-0.9 4,-1.8 -5,-0.4 3,-0.6 0.961 112.9 45.6 -50.7 -53.5 111.5 63.1 -44.3 10 11 A Q H 3X S+ 0 0 39 -4,-3.5 4,-3.3 1,-0.3 5,-0.3 0.919 106.5 56.9 -56.4 -51.1 111.1 59.6 -45.8 11 12 A E H 3X S+ 0 0 8 -4,-3.4 4,-2.2 1,-0.2 -1,-0.3 0.809 106.0 53.0 -55.1 -29.0 108.1 60.5 -48.0 12 13 A R H - 0 0 23 0, 0.0 3,-1.0 0, 0.0 2,-0.2 -0.083 58.1 -97.8 -50.9 148.9 103.5 59.7 -60.3 21 22 A F T 3 S+ 0 0 107 1,-0.2 3,-0.1 3,-0.0 432,-0.1 -0.514 102.8 15.3 -76.8 137.4 104.2 61.5 -63.6 22 23 A G T 3 S+ 0 0 3 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.299 97.6 117.5 88.5 -10.3 103.3 65.1 -63.9 23 24 A F < - 0 0 12 -3,-1.0 2,-0.4 21,-0.1 -1,-0.3 -0.672 46.9-159.4 -93.4 147.4 102.9 65.6 -60.1 24 25 A V E +A 43 0A 8 19,-1.4 19,-2.2 -2,-0.3 -3,-0.0 -0.992 18.2 166.3-128.6 130.7 105.1 68.0 -58.0 25 26 A A E +A 42 0A 0 -2,-0.4 17,-0.2 17,-0.2 -10,-0.1 -0.459 13.5 159.5-142.2 66.2 105.5 67.8 -54.3 26 27 A V E -A 41 0A 3 15,-1.2 15,-2.0 1,-0.1 416,-0.1 -0.791 32.0-137.5 -94.6 125.6 108.5 69.9 -53.2 27 28 A P E -A 40 0A 3 0, 0.0 415,-0.4 0, 0.0 13,-0.3 0.060 21.8-118.0 -63.9-174.6 108.6 71.0 -49.6 28 29 A T E -A 36 0A 23 11,-1.4 8,-3.0 8,-1.3 2,-0.3 -0.368 27.8-107.0-111.7-164.3 109.5 74.5 -48.6 29 30 A K E -A 35 0A 70 6,-0.3 6,-0.2 -2,-0.1 5,-0.1 -0.955 13.7-129.1-134.6 152.7 112.4 75.8 -46.6 30 31 A N > - 0 0 64 4,-0.9 3,-1.3 -2,-0.3 6,-0.1 -0.280 37.1-105.6 -85.1 174.4 113.1 77.3 -43.2 31 32 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.940 118.3 72.5 -66.7 -38.2 115.1 80.4 -42.6 32 33 A D T 3 S- 0 0 141 1,-0.2 3,-0.1 3,-0.0 -3,-0.0 0.519 116.8-114.4 -48.8 -7.9 117.9 78.1 -41.4 33 34 A G S < S+ 0 0 50 -3,-1.3 -1,-0.2 1,-0.2 0, 0.0 0.094 83.0 122.2 88.7 -23.0 118.3 77.2 -45.1 34 35 A T S S- 0 0 74 1,-0.1 -4,-0.9 -5,-0.1 2,-0.4 0.237 72.1 -83.4 -56.3-171.7 117.2 73.8 -44.0 35 36 A M E -A 29 0A 65 -6,-0.2 2,-0.6 -3,-0.1 -6,-0.3 -0.848 31.0-136.8-107.1 136.4 114.1 72.0 -45.4 36 37 A N E +A 28 0A 34 -8,-3.0 -8,-1.3 -2,-0.4 3,-0.2 -0.821 24.1 172.8 -94.0 119.3 110.6 72.6 -44.2 37 38 A L E S+ 0 0 20 -2,-0.6 -1,-0.1 -10,-0.2 3,-0.1 0.689 71.1 67.8 -97.8 -22.3 108.6 69.4 -43.9 38 39 A M E S+ 0 0 56 1,-0.2 25,-1.9 24,-0.1 2,-0.3 0.382 108.3 40.7 -78.5 4.7 105.4 70.8 -42.2 39 40 A N E + B 0 62A 27 23,-0.2 -11,-1.4 -3,-0.2 23,-0.2 -0.859 67.0 175.5-158.2 116.8 104.6 72.6 -45.4 40 41 A W E -AB 27 61A 1 21,-1.9 21,-1.2 -2,-0.3 2,-0.4 -0.630 25.6-135.8-114.4 173.7 105.0 71.5 -49.0 41 42 A E E -AB 26 60A 36 -15,-2.0 -15,-1.2 19,-0.2 19,-0.2 -0.835 32.2-179.3-134.2 94.9 104.0 73.0 -52.3 42 43 A C E -AB 25 59A 0 17,-2.3 17,-2.9 -2,-0.4 2,-0.3 -0.491 16.3-160.8 -96.3 165.1 102.3 70.5 -54.6 43 44 A A E -AB 24 58A 2 -19,-2.2 -19,-1.4 15,-0.3 15,-0.3 -0.860 6.5-157.0-150.4 109.8 101.0 70.7 -58.1 44 45 A I E - B 0 57A 1 13,-2.6 13,-3.2 -2,-0.3 -21,-0.1 -0.720 15.6-133.4 -92.4 130.7 98.5 68.2 -59.5 45 46 A P E - B 0 56A 3 0, 0.0 11,-0.2 0, 0.0 10,-0.1 -0.208 26.8-107.1 -71.4 169.2 98.2 67.7 -63.3 46 47 A G - 0 0 0 9,-1.1 2,-0.3 105,-0.1 7,-0.3 0.318 43.5 -98.8 -72.9-144.8 94.8 67.7 -64.9 47 48 A K > - 0 0 74 3,-0.2 3,-1.2 72,-0.0 6,-0.4 -0.844 28.4-115.8-149.7 108.3 93.6 64.3 -66.1 48 49 A K T 3 S+ 0 0 44 -2,-0.3 2,-0.5 1,-0.2 4,-0.0 -0.111 103.2 17.6 -42.3 125.8 93.9 63.1 -69.7 49 50 A G T 3 S+ 0 0 70 1,-0.4 -1,-0.2 2,-0.0 4,-0.0 -0.489 104.8 95.7 105.9 -59.8 90.3 62.7 -71.1 50 51 A T S X S- 0 0 21 -3,-1.2 3,-1.5 -2,-0.5 -1,-0.4 -0.120 88.8-113.0 -59.8 160.6 88.6 64.7 -68.4 51 52 A P T 3 S+ 0 0 11 0, 0.0 100,-0.2 0, 0.0 -1,-0.1 0.507 113.8 72.9 -74.4 -2.8 87.8 68.4 -69.1 52 53 A W T > S+ 0 0 1 -5,-0.3 3,-0.7 99,-0.1 -4,-0.1 0.441 74.4 118.9 -87.7 -3.5 90.3 69.2 -66.4 53 54 A E T < + 0 0 95 -3,-1.5 2,-0.6 -6,-0.4 3,-0.1 -0.122 57.3 37.8 -61.6 160.2 93.1 68.2 -68.7 54 55 A G T 3 S+ 0 0 31 1,-0.2 -1,-0.2 100,-0.0 399,-0.1 -0.305 94.3 90.5 97.1 -50.8 95.8 70.6 -69.7 55 56 A G < - 0 0 0 -3,-0.7 -9,-1.1 -2,-0.6 2,-0.5 -0.329 60.5-145.5 -84.6 163.6 96.3 72.5 -66.5 56 57 A L E -B 45 0A 15 98,-4.1 2,-0.6 95,-0.2 -33,-0.0 -0.985 19.2-155.1-126.3 115.4 98.5 72.0 -63.6 57 58 A F E -B 44 0A 1 -13,-3.2 -13,-2.6 -2,-0.5 2,-0.1 -0.837 3.9-147.0-103.5 118.8 97.0 73.0 -60.3 58 59 A K E +B 43 0A 59 -2,-0.6 19,-1.1 19,-0.3 2,-0.3 -0.401 20.6 173.1 -76.9 154.6 99.1 74.0 -57.3 59 60 A L E -BC 42 76A 0 -17,-2.9 -17,-2.3 17,-0.3 17,-0.3 -0.952 23.8-133.8-159.9 141.2 98.1 73.3 -53.8 60 61 A R E -BC 41 75A 43 15,-2.9 15,-0.9 -2,-0.3 2,-0.3 -0.372 14.2-153.0 -89.4 176.5 99.9 73.7 -50.5 61 62 A M E -BC 40 74A 0 -21,-1.2 -21,-1.9 13,-0.2 2,-0.5 -0.765 6.4-166.5-157.1 104.3 99.9 71.0 -47.8 62 63 A L E -BC 39 73A 53 11,-1.7 11,-2.3 -2,-0.3 2,-0.3 -0.834 6.1-161.9 -99.7 127.4 100.3 71.8 -44.2 63 64 A F - 0 0 9 -25,-1.9 2,-0.2 -2,-0.5 -2,-0.0 -0.820 8.8-140.4-107.1 147.2 101.1 69.0 -41.7 64 65 A K > - 0 0 144 -2,-0.3 3,-0.7 6,-0.3 6,-0.0 -0.519 32.3 -99.9 -99.8 170.6 100.7 69.2 -38.0 65 66 A D T 3 S+ 0 0 108 1,-0.2 -63,-0.7 -2,-0.2 -61,-0.4 0.859 119.0 62.1 -55.8 -36.1 102.9 67.9 -35.2 66 67 A D T > S+ 0 0 51 -65,-0.3 3,-1.5 2,-0.1 -63,-0.2 0.803 83.8 160.1 -62.2 -38.7 100.5 64.9 -35.0 67 68 A Y T < + 0 0 0 -3,-0.7 -65,-0.7 1,-0.4 -64,-0.4 0.157 58.2 26.4 -29.4 143.6 100.9 63.4 -38.5 68 69 A P T 3 S+ 0 0 7 0, 0.0 -1,-0.4 0, 0.0 38,-0.1 -0.990 119.1 63.3 -82.1 1.3 100.4 60.8 -39.6 69 70 A S S < S+ 0 0 63 -3,-1.5 -2,-0.2 1,-0.1 -3,-0.0 0.949 113.6 32.2 -43.8 -67.0 97.8 60.5 -36.9 70 71 A S S S- 0 0 18 1,-0.1 -6,-0.3 -6,-0.0 -3,-0.1 -0.778 98.3-110.2 -96.3 139.7 95.8 63.4 -38.3 71 72 A P - 0 0 13 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 0.047 35.5 -95.2 -59.6 169.2 95.7 64.1 -42.0 72 73 A P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 -9,-0.2 -0.691 34.0-119.8 -91.0 143.0 97.4 67.0 -43.8 73 74 A K E -C 62 0A 87 -11,-2.3 -11,-1.7 -2,-0.3 2,-0.4 -0.592 30.9-157.3 -79.3 142.2 95.3 70.1 -44.5 74 75 A C E +C 61 0A 4 17,-0.3 17,-2.2 -2,-0.2 2,-0.4 -0.984 15.0 176.4-130.0 132.2 95.2 71.0 -48.3 75 76 A K E -CD 60 90A 71 -15,-0.9 -15,-2.9 -2,-0.4 2,-0.4 -0.995 27.0-129.8-134.1 134.3 94.5 74.2 -50.0 76 77 A F E -C 59 0A 4 13,-3.0 -17,-0.3 -2,-0.4 -33,-0.1 -0.683 30.7-124.1 -81.2 131.2 94.6 75.1 -53.7 77 78 A E S S+ 0 0 69 -19,-1.1 -19,-0.3 -2,-0.4 12,-0.1 -0.941 102.6 18.3-120.1 107.5 96.7 78.2 -54.5 78 79 A P S S- 0 0 66 0, 0.0 -1,-0.1 0, 0.0 11,-0.1 0.651 116.2 -99.5 -80.6 174.7 94.9 80.0 -55.9 79 80 A P - 0 0 65 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.256 40.6-133.9 -58.3 142.3 91.4 78.6 -55.0 80 81 A L - 0 0 12 6,-0.2 2,-0.9 9,-0.1 9,-0.1 -0.477 13.0-113.9 -96.3 168.0 89.8 76.4 -57.7 81 82 A F + 0 0 18 -2,-0.2 69,-0.1 65,-0.1 3,-0.0 -0.841 65.3 126.4-102.1 94.0 86.3 76.3 -59.1 82 83 A H > - 0 0 2 -2,-0.9 3,-2.4 3,-0.4 46,-0.2 -0.933 67.2-119.7-157.7 130.3 85.0 73.0 -58.0 83 84 A P T 3 S+ 0 0 0 0, 0.0 45,-2.4 0, 0.0 46,-0.6 0.691 112.8 42.6 -35.9 -34.9 81.9 71.8 -56.1 84 85 A N T 3 S+ 0 0 0 43,-0.2 8,-2.1 44,-0.2 2,-0.5 0.048 92.5 92.6-110.4 29.4 84.0 70.3 -53.3 85 86 A V B < S-E 91 0B 2 -3,-2.4 -3,-0.4 6,-0.2 6,-0.2 -0.951 72.7-129.3-124.9 109.9 86.6 73.0 -52.7 86 87 A Y > - 0 0 27 4,-1.7 3,-1.6 -2,-0.5 -6,-0.2 0.020 28.6-106.2 -49.4 162.9 85.9 75.7 -50.1 87 88 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 42,-0.1 0.803 122.7 62.0 -63.6 -29.4 86.2 79.4 -51.1 88 89 A S T 3 S- 0 0 57 2,-0.1 3,-0.1 1,-0.1 -2,-0.1 0.606 123.5-108.8 -70.9 -13.0 89.4 79.5 -49.0 89 90 A G < + 0 0 0 -3,-1.6 -13,-3.0 1,-0.3 2,-0.1 0.442 69.6 148.2 97.4 1.6 90.7 76.8 -51.4 90 91 A T B -D 75 0A 11 -15,-0.3 -4,-1.7 -5,-0.1 2,-0.6 -0.471 44.7-134.6 -69.9 140.4 90.6 74.0 -48.9 91 92 A V B -E 85 0B 8 -17,-2.2 2,-0.7 -6,-0.2 -17,-0.3 -0.884 13.8-156.9 -98.8 119.6 89.9 70.7 -50.5 92 93 A C + 0 0 28 -8,-2.1 143,-0.5 -2,-0.6 2,-0.3 -0.879 27.0 158.0 -97.9 118.6 87.2 68.8 -48.6 93 94 A L >> - 0 0 6 -2,-0.7 3,-2.3 141,-0.2 4,-0.5 -0.965 48.5-127.1-147.5 126.9 87.6 65.1 -49.3 94 95 A S G >4 S+ 0 0 12 139,-1.7 3,-2.0 140,-0.6 7,-1.5 0.815 110.6 55.0 -33.9 -54.1 86.5 62.0 -47.3 95 96 A I G 34 S+ 0 0 6 138,-0.3 -1,-0.3 1,-0.3 8,-0.2 0.800 106.3 52.7 -52.7 -36.1 90.1 60.5 -47.5 96 97 A L G <4 S+ 0 0 14 -3,-2.3 2,-0.8 6,-0.1 -1,-0.3 0.439 86.6 99.0 -84.0 -1.2 91.5 63.7 -45.9 97 98 A E X<> - 0 0 80 -3,-2.0 3,-2.8 -4,-0.5 5,-1.4 -0.785 64.4-147.8 -99.2 111.9 89.2 63.8 -42.9 98 99 A E T 3 5S+ 0 0 97 -2,-0.8 -1,-0.1 1,-0.3 -4,-0.0 0.763 96.7 44.7 -35.9 -51.5 90.6 62.4 -39.7 99 100 A D T 3 5S+ 0 0 121 2,-0.1 -1,-0.3 1,-0.0 -29,-0.0 0.114 123.1 31.5 -88.1 22.3 87.3 61.1 -38.3 100 101 A K T < 5S- 0 0 148 -3,-2.8 -2,-0.1 -6,-0.2 -5,-0.1 0.331 127.4 -9.0-136.5 -90.0 86.2 59.5 -41.6 101 102 A D T 5S+ 0 0 57 -7,-1.5 2,-0.3 -4,-0.3 -6,-0.2 0.482 93.4 114.0-101.3 -2.4 88.2 57.9 -44.4 102 103 A W < + 0 0 16 -5,-1.4 -6,-0.1 -8,-0.4 -7,-0.1 -0.537 36.0 171.3 -75.7 130.7 91.7 59.0 -43.2 103 104 A R > - 0 0 84 -2,-0.3 3,-2.6 -8,-0.2 -34,-0.1 -0.997 40.8-121.7-138.9 134.0 94.0 56.2 -42.1 104 105 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 -35,-0.0 0.789 106.2 72.0 -43.4 -38.6 97.7 56.7 -41.3 105 106 A A T 3 S+ 0 0 40 313,-0.1 2,-0.3 2,-0.0 -3,-0.0 0.579 76.8 103.4 -60.8 -6.1 98.7 54.2 -43.9 106 107 A I < - 0 0 1 -3,-2.6 2,-0.2 -38,-0.1 62,-0.1 -0.638 59.5-158.0 -82.6 137.5 97.8 56.8 -46.5 107 108 A T > - 0 0 2 -2,-0.3 4,-2.3 1,-0.1 3,-0.2 -0.596 31.4-105.0-109.1 170.5 100.7 58.6 -48.1 108 109 A I H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 5,-0.4 0.868 119.4 60.7 -62.6 -36.8 101.1 61.9 -49.9 109 110 A K H > S+ 0 0 30 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.934 108.5 45.8 -55.6 -43.5 101.3 60.1 -53.3 110 111 A Q H > S+ 0 0 17 -3,-0.2 4,-4.4 2,-0.2 -2,-0.2 0.973 110.6 50.6 -62.9 -58.2 97.8 58.8 -52.5 111 112 A I H X S+ 0 0 1 -4,-2.3 4,-3.3 2,-0.2 5,-0.4 0.945 113.9 43.8 -44.3 -65.9 96.3 62.1 -51.4 112 113 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.3 -1,-0.2 0.894 117.2 48.0 -48.3 -45.3 97.6 64.1 -54.4 113 114 A L H X S+ 0 0 23 -4,-2.1 4,-2.1 -5,-0.4 -1,-0.3 0.923 114.1 47.0 -62.9 -44.2 96.4 61.1 -56.6 114 115 A G H X S+ 0 0 5 -4,-4.4 4,-2.7 2,-0.2 3,-0.4 0.993 109.5 51.7 -58.4 -62.9 93.1 61.1 -54.8 115 116 A I H X S+ 0 0 2 -4,-3.3 4,-1.5 1,-0.3 -1,-0.2 0.829 108.0 55.1 -42.6 -39.1 92.6 64.9 -55.0 116 117 A Q H >X S+ 0 0 25 -4,-1.9 3,-0.9 -5,-0.4 4,-0.7 0.972 107.4 46.9 -62.9 -51.4 93.2 64.5 -58.7 117 118 A E H >X S+ 0 0 9 -4,-2.1 3,-1.1 -3,-0.4 4,-0.6 0.905 108.4 59.5 -56.0 -39.3 90.5 61.9 -59.2 118 119 A L H >< S+ 0 0 4 -4,-2.7 3,-1.1 1,-0.2 -1,-0.3 0.823 85.7 75.3 -59.3 -34.5 88.3 64.2 -57.1 119 120 A L H << S+ 0 0 4 -4,-1.5 -1,-0.2 -3,-0.9 -2,-0.2 0.882 110.3 29.0 -45.8 -42.2 88.6 67.1 -59.6 120 121 A N H << S+ 0 0 61 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.440 112.2 65.2-102.0 0.1 86.3 65.2 -61.9 121 122 A E S << S- 0 0 74 -3,-1.1 113,-0.2 -4,-0.6 -1,-0.2 -0.576 71.9-179.1-119.4 67.9 84.1 63.3 -59.4 122 123 A P - 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0 0 30 -5,-2.2 -1,-0.2 -6,-0.1 5,-0.1 -0.949 64.4-103.2-149.2 123.7 90.0 45.7 -46.5 196 58 B P > - 0 0 79 0, 0.0 4,-0.8 0, 0.0 -6,-0.0 -0.076 35.7-111.1 -47.8 138.0 86.2 45.7 -47.0 197 59 B M T 4 S+ 0 0 65 1,-0.2 3,-0.1 2,-0.2 -7,-0.1 0.738 117.9 42.7 -39.6 -34.0 85.1 44.8 -50.5 198 60 B N T 4 S+ 0 0 117 1,-0.2 -1,-0.2 3,-0.0 33,-0.1 0.951 89.8 81.3 -81.1 -56.7 84.0 48.4 -51.0 199 61 B S T 4 S+ 0 0 15 31,-0.1 32,-3.2 32,-0.0 -2,-0.2 0.650 98.6 42.5 -20.7 -41.9 86.8 50.4 -49.5 200 62 B L < - 0 0 19 -4,-0.8 2,-0.2 30,-0.2 30,-0.2 -0.076 68.2-149.1 -99.3-160.8 88.8 50.0 -52.8 201 63 B R - 0 0 32 30,-0.1 28,-2.5 -15,-0.0 2,-0.4 -0.833 10.3-145.6-171.3 133.5 88.1 50.1 -56.5 202 64 B F E -I 228 0C 15 -2,-0.2 7,-1.4 7,-0.2 2,-0.3 -0.884 15.7-169.6-113.3 142.4 89.8 48.2 -59.4 203 65 B L E -IJ 227 208C 30 24,-2.8 24,-1.5 -2,-0.4 2,-0.3 -0.882 10.6-174.6-130.0 160.6 90.5 49.5 -62.9 204 66 B F E > S+ J 0 207C 20 3,-2.8 3,-0.7 -2,-0.3 22,-0.1 -0.985 76.6 3.5-151.1 143.4 91.6 48.3 -66.3 205 67 B E T 3 S- 0 0 153 20,-0.3 2,-0.9 1,-0.3 3,-0.1 0.823 127.7 -68.1 48.6 30.1 92.4 50.1 -69.6 206 68 B G T 3 S+ 0 0 64 1,-0.2 -1,-0.3 21,-0.0 2,-0.1 -0.200 118.9 102.1 85.8 -45.2 91.8 53.1 -67.5 207 69 B Q E < S-J 204 0C 166 -2,-0.9 -3,-2.8 -3,-0.7 -1,-0.2 -0.421 80.4 -95.0 -77.5 148.8 88.1 52.3 -67.2 208 70 B R E -J 203 0C 146 -5,-0.2 2,-0.5 -2,-0.1 -5,-0.2 0.115 36.6-114.1 -52.5 168.0 86.5 50.8 -64.1 209 71 B I - 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0 0 37 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.482 17.7-152.5 -64.2 100.4 72.2 92.4 -56.4 358 553 C K T 3 S+ 0 0 83 -2,-0.9 -3,-0.0 1,-0.3 -2,-0.0 0.400 88.3 75.1 -58.0 8.5 70.2 90.5 -59.0 359 554 C A T 3 S+ 0 0 76 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.783 85.4 54.8 -91.1 -32.8 73.4 88.5 -59.4 360 555 C L S <> S+ 0 0 2 -3,-2.1 4,-1.2 1,-0.2 5,-0.3 0.461 84.5 104.4 -78.8 -0.7 73.2 86.4 -56.2 361 556 C A H >> S+ 0 0 7 -4,-0.4 4,-2.2 1,-0.2 3,-0.9 0.919 79.9 36.5 -46.5 -64.7 69.7 85.5 -57.6 362 557 C P H 3> S+ 0 0 44 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.828 110.4 63.0 -64.0 -30.7 70.4 81.9 -58.8 363 558 C L H 3> S+ 0 0 16 -4,-0.4 4,-0.9 2,-0.2 -2,-0.2 0.748 110.5 38.8 -66.0 -24.9 72.8 81.1 -55.9 364 559 C L H X S+ 0 0 53 -4,-2.2 4,-1.6 -5,-0.3 3,-0.6 0.887 109.2 49.5 -51.3 -42.8 67.5 79.9 -55.7 366 561 C A H 3X S+ 0 0 13 -4,-2.9 4,-0.9 1,-0.2 -1,-0.2 0.895 112.0 45.3 -66.8 -43.8 69.8 76.9 -55.8 367 562 C F H 3< S+ 0 0 0 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.439 111.6 51.8 -84.7 3.6 70.3 76.6 -52.1 368 563 C V H << S+ 0 0 1 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.717 111.1 45.5-102.5 -33.7 66.6 77.0 -51.3 369 564 C T H < S+ 0 0 51 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.1 0.713 88.8 114.5 -77.8 -20.6 65.5 74.3 -53.6 370 565 C K S < S- 0 0 29 -4,-0.9 5,-0.1 -5,-0.2 -3,-0.0 -0.333 85.1-107.7 -54.9 110.3 68.3 72.3 -52.2 371 566 C P + 0 0 103 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.150 58.7 157.7 -43.3 114.9 66.6 69.4 -50.3 372 567 C N - 0 0 34 1,-0.2 5,-0.2 -4,-0.2 4,-0.1 -0.919 47.3-127.8-154.9 127.5 67.1 70.2 -46.7 373 568 C S S >> S+ 0 0 90 -2,-0.3 3,-1.2 1,-0.2 4,-0.8 0.816 107.5 32.6 -30.1 -72.7 65.3 69.2 -43.4 374 569 C A G >4 S+ 0 0 24 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.900 110.9 62.1 -61.2 -44.6 64.6 72.7 -41.9 375 570 C L G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.366 109.5 48.3 -65.4 12.1 64.1 74.4 -45.2 376 571 C E G X4 S+ 0 0 98 -3,-1.2 3,-1.1 -5,-0.1 -1,-0.3 0.541 90.0 75.9-120.3 -26.4 61.3 71.9 -45.4 377 572 C S T << S+ 0 0 91 -3,-1.1 -2,-0.1 -4,-0.8 -3,-0.1 0.215 101.8 46.7 -73.4 17.1 59.8 72.6 -42.0 378 573 C C T 3> + 0 0 20 -4,-0.1 4,-2.0 2,-0.1 -1,-0.3 -0.155 64.6 166.4-153.1 46.8 58.4 75.8 -43.5 379 574 C S H <> S+ 0 0 95 -3,-1.1 4,-2.8 1,-0.2 5,-0.3 0.776 78.6 51.3 -31.3 -48.1 56.8 74.8 -46.8 380 575 C F H > S+ 0 0 137 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.992 107.5 46.4 -58.0 -72.9 55.1 78.1 -47.0 381 576 C A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.824 118.8 45.7 -39.1 -43.9 58.0 80.5 -46.4 382 577 C R H X S+ 0 0 39 -4,-2.0 4,-3.8 2,-0.2 5,-0.4 0.986 108.3 50.0 -68.7 -62.2 60.0 78.5 -48.9 383 578 C H H X S+ 0 0 114 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.875 112.9 53.7 -45.0 -38.7 57.5 78.1 -51.8 384 579 C S H X S+ 0 0 24 -4,-2.7 4,-3.8 -5,-0.3 -1,-0.2 0.990 111.6 40.6 -58.1 -64.3 57.0 81.9 -51.3 385 580 C L H X S+ 0 0 0 -4,-2.2 4,-3.7 1,-0.3 5,-0.3 0.895 114.6 53.8 -51.7 -46.5 60.7 82.7 -51.7 386 581 C L H X S+ 0 0 15 -4,-3.8 4,-2.7 2,-0.2 -1,-0.3 0.937 113.1 43.8 -55.9 -45.4 61.0 80.1 -54.5 387 582 C Q H X S+ 0 0 98 -4,-3.0 4,-1.3 -5,-0.4 -2,-0.2 0.974 112.8 50.4 -62.7 -53.9 58.2 81.9 -56.2 388 583 C T H >X S+ 0 0 27 -4,-3.8 4,-1.5 1,-0.2 3,-0.6 0.919 116.5 43.6 -47.2 -49.7 59.6 85.3 -55.5 389 584 C L H 3< S+ 0 0 4 -4,-3.7 -1,-0.2 1,-0.2 -2,-0.2 0.835 100.9 65.2 -67.3 -38.4 62.9 84.1 -56.9 390 585 C Y H 3< S+ 0 0 125 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.806 110.6 42.5 -56.6 -25.4 61.5 82.3 -59.9 391 586 C K H << 0 0 86 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.853 360.0 360.0 -88.8 -39.9 60.4 85.8 -61.0 392 587 C V < 0 0 100 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.1 0.944 360.0 360.0 -59.6 360.0 63.6 87.8 -60.2 393 !* 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 0.0 394 2629 D S 0 0 153 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -92.0 84.2 26.4 -58.3 395 2630 D L - 0 0 52 2,-0.1 2,-0.3 -214,-0.0 -215,-0.0 -0.915 360.0-142.4-111.0 107.8 86.0 29.4 -59.7 396 2631 D D + 0 0 86 -2,-0.6 -219,-1.6 2,-0.0 2,-0.3 -0.548 33.4 154.0 -78.6 129.1 89.8 29.1 -59.4 397 2632 D V E -H 176 0C 29 -2,-0.3 2,-0.5 -221,-0.2 -221,-0.2 -0.861 18.9-173.0-151.4 106.0 91.9 32.2 -58.6 398 2633 D L E -H 175 0C 110 -223,-1.9 -223,-2.1 -2,-0.3 2,-0.6 -0.925 26.3-127.1-114.2 130.6 95.1 31.6 -56.8 399 2634 D I E +H 174 0C 31 -2,-0.5 -225,-0.3 -225,-0.2 3,-0.1 -0.617 32.6 174.0 -71.1 114.9 97.5 34.2 -55.4 400 2635 D V E + 0 0 57 -227,-2.3 2,-0.3 -2,-0.6 -226,-0.2 0.760 58.6 13.7 -97.2 -28.4 100.8 33.3 -57.0 401 2636 D Y E -H 173 0C 103 -228,-1.4 -228,-3.9 2,-0.0 2,-0.4 -0.994 51.5-175.5-152.2 142.6 103.0 36.2 -55.9 402 2637 D E E -H 172 0C 84 -2,-0.3 -230,-0.2 -230,-0.2 2,-0.1 -0.962 35.5-114.0-141.0 120.9 103.0 39.1 -53.5 403 2638 D L - 0 0 37 -232,-2.0 -232,-0.1 -2,-0.4 21,-0.0 -0.301 39.5-172.1 -54.8 120.8 105.8 41.8 -53.3 404 2639 D T - 0 0 87 -2,-0.1 2,-0.1 -234,-0.1 17,-0.1 -0.922 8.9-143.4-120.8 145.0 107.5 41.5 -49.9 405 2640 D P - 0 0 25 0, 0.0 16,-0.1 0, 0.0 19,-0.0 -0.385 31.7 -77.5 -98.5 178.6 110.1 43.7 -48.3 406 2641 D T > - 0 0 67 -2,-0.1 4,-2.4 1,-0.1 5,-0.3 -0.231 41.3-112.4 -67.9 160.7 113.2 43.2 -46.1 407 2642 D A H > S+ 0 0 87 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.943 122.4 43.8 -61.0 -46.1 112.9 42.5 -42.5 408 2643 D E H > S+ 0 0 163 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.839 113.0 52.9 -68.0 -33.8 114.4 45.9 -41.7 409 2644 D Q H >> S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 3,-0.6 0.980 111.0 43.0 -65.1 -59.0 112.3 47.6 -44.4 410 2645 D K H 3X S+ 0 0 118 -4,-2.4 4,-2.2 1,-0.3 -2,-0.2 0.895 114.4 53.5 -53.6 -42.6 108.9 46.3 -43.2 411 2646 D A H 3X S+ 0 0 57 -4,-1.8 4,-1.0 -5,-0.3 -1,-0.3 0.814 107.9 49.9 -64.4 -32.2 110.0 47.1 -39.6 412 2647 D L H XX S+ 0 0 58 -4,-1.4 4,-1.8 -3,-0.6 3,-1.0 0.967 112.2 46.1 -68.7 -53.3 110.9 50.7 -40.6 413 2648 D A H 3<>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.3 4,-0.4 0.825 107.3 59.5 -56.0 -36.0 107.5 51.3 -42.3 414 2649 D T H 3<5S+ 0 0 89 -4,-2.2 3,-0.4 -5,-0.3 -1,-0.3 0.833 106.2 47.9 -62.7 -33.1 105.9 49.6 -39.2 415 2650 D K H <<5S+ 0 0 64 -3,-1.0 -2,-0.2 -4,-1.0 -1,-0.2 0.866 115.8 44.1 -74.9 -36.1 107.5 52.4 -37.1 416 2651 D L T <5S- 0 0 6 -4,-1.8 -2,-0.2 2,-0.1 -1,-0.2 0.309 107.8-122.3 -92.0 7.5 106.3 55.0 -39.6 417 2652 D K T 5 + 0 0 107 -4,-0.4 -3,-0.2 -3,-0.4 -4,-0.1 0.818 65.9 142.3 55.8 31.9 102.8 53.6 -40.0 418 2653 D L < - 0 0 7 -5,-2.5 -1,-0.2 -8,-0.1 -313,-0.1 -0.624 64.9 -79.3-100.5 161.5 103.4 53.4 -43.7 419 2654 D P - 0 0 6 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.442 43.9-122.5 -63.4 119.7 102.3 50.6 -46.1 420 2655 D P S S+ 0 0 66 0, 0.0 2,-0.7 0, 0.0 3,-0.3 0.691 109.6 59.6 -32.2 -35.2 104.7 47.6 -45.7 421 2656 D T S S+ 0 0 14 1,-0.2 3,-0.1 -253,-0.2 4,-0.1 -0.314 77.7 108.2 -94.6 52.2 105.6 47.8 -49.3 422 2657 D F S > S+ 0 0 19 -2,-0.7 3,-1.2 -3,-0.3 -1,-0.2 0.931 72.2 43.1 -94.0 -55.0 106.9 51.3 -49.2 423 2658 D F T 3 S+ 0 0 2 -3,-0.3 3,-0.4 1,-0.3 4,-0.2 0.133 85.1 99.7 -80.0 24.1 110.7 51.3 -49.5 424 2659 D C T 3> + 0 0 6 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.661 65.1 75.7 -80.4 -16.8 110.4 48.8 -52.3 425 2660 D Y T <4 S+ 0 0 39 -3,-1.2 3,-0.3 1,-0.3 -1,-0.2 0.877 105.0 35.0 -59.2 -38.3 110.9 51.7 -54.6 426 2661 D K T 4 S+ 0 0 82 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.446 105.6 71.3 -93.9 -5.3 114.6 51.6 -53.7 427 2662 D N T 4 S+ 0 0 84 -3,-0.2 -2,-0.2 -4,-0.2 -1,-0.2 0.617 82.1 101.7 -83.5 -13.9 114.5 47.8 -53.4 428 2663 D R S < S- 0 0 56 -4,-0.8 -3,-0.0 -3,-0.3 0, 0.0 -0.064 82.0-118.6 -64.4 168.2 114.2 47.7 -57.2 429 2664 D P S S+ 0 0 132 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.900 89.4 62.4 -78.4 -43.5 117.1 47.0 -59.6 430 2665 D D S S+ 0 0 85 1,-0.2 2,-0.3 0, 0.0 0, 0.0 0.552 105.1 5.1 -60.2-145.5 117.3 50.2 -61.5 431 2666 D Y S S+ 0 0 104 -414,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.166 88.6 119.8 -46.2 99.2 118.1 53.7 -60.1 432 2667 D V + 0 0 68 -2,-0.3 2,-0.2 -3,-0.2 -6,-0.0 -0.961 14.5 124.0-163.8 146.3 119.0 53.2 -56.4 433 2668 D S - 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