==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 18-FEB-12 4DSG . COMPND 2 MOLECULE: UDP-GALACTOPYRANOSE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR H.SINGH,R.DHATWALIA,J.J.TANNER . 939 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36923.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 635 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 74 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 238 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 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 4 0 0 4 0 2 6 2 2 0 2 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 4 4 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 8 4 2 0 0 0 2 2 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 2 2 2 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 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 4 A L 0 0 224 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -26.9 62.0 -29.1 0.1 2 5 A L + 0 0 102 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.753 360.0 88.7 -92.1 -26.5 58.5 -29.3 -1.3 3 6 A T S S- 0 0 64 1,-0.1 3,-0.0 3,-0.0 2,-0.0 -0.493 85.3-106.1 -78.3 140.7 59.0 -27.1 -4.4 4 7 A P - 0 0 42 0, 0.0 2,-0.7 0, 0.0 25,-0.1 -0.326 32.0-115.8 -59.6 139.0 60.2 -28.6 -7.7 5 8 A K - 0 0 57 25,-0.1 249,-3.1 23,-0.0 250,-2.1 -0.732 32.0-159.1 -79.2 116.9 63.9 -27.9 -8.7 6 9 A I E -ab 30 255A 0 23,-2.3 25,-1.7 -2,-0.7 2,-0.5 -0.878 6.0-166.9-101.9 122.3 63.8 -25.9 -11.9 7 10 A V E -ab 31 256A 0 248,-2.9 250,-3.2 -2,-0.6 2,-0.5 -0.931 2.0-161.9-111.4 131.5 66.9 -25.9 -14.0 8 11 A I E -ab 32 257A 0 23,-2.7 25,-2.9 -2,-0.5 2,-0.6 -0.936 3.8-157.5-111.6 129.6 67.4 -23.4 -16.8 9 12 A I E +ab 33 258A 10 248,-2.6 250,-1.7 -2,-0.5 25,-0.2 -0.947 63.2 29.8-107.3 115.5 70.0 -24.0 -19.6 10 13 A G - 0 0 9 23,-3.2 24,-0.2 -2,-0.6 23,-0.1 0.221 58.1-138.8 112.3 130.0 71.1 -20.8 -21.3 11 14 A A + 0 0 0 4,-0.2 29,-3.3 27,-0.1 30,-0.3 -0.213 63.8 118.0-110.7 39.7 71.5 -17.2 -20.2 12 15 A G S > S- 0 0 12 28,-0.2 4,-2.9 27,-0.2 5,-0.3 -0.277 91.6 -77.5 -82.3-176.1 70.1 -15.6 -23.4 13 16 A P H > S+ 0 0 12 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.871 133.9 52.2 -54.9 -39.5 66.9 -13.5 -23.1 14 17 A T H > S+ 0 0 8 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.968 113.0 42.5 -62.3 -52.6 64.7 -16.7 -22.9 15 18 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.916 116.4 48.3 -58.2 -44.0 66.7 -18.2 -20.0 16 19 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.804 105.8 59.7 -68.5 -27.9 67.0 -14.8 -18.3 17 20 A G H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.948 107.2 45.3 -60.3 -49.9 63.2 -14.4 -18.8 18 21 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.938 113.5 50.2 -59.5 -46.6 62.6 -17.6 -16.8 19 22 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.836 110.6 49.7 -61.4 -36.0 65.1 -16.5 -14.1 20 23 A V H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.923 110.2 48.9 -71.9 -44.1 63.4 -13.1 -13.8 21 24 A R H X S+ 0 0 42 -4,-2.4 4,-2.1 2,-0.2 6,-0.2 0.936 112.9 48.4 -60.6 -44.5 59.9 -14.5 -13.5 22 25 A L H <>S+ 0 0 0 -4,-2.4 5,-2.7 -5,-0.2 4,-0.4 0.929 112.8 48.0 -59.8 -43.6 61.2 -16.9 -10.8 23 26 A T H ><5S+ 0 0 36 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.920 109.3 52.7 -65.8 -42.1 63.0 -14.1 -9.0 24 27 A E H 3<5S+ 0 0 41 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.883 110.5 48.6 -56.8 -39.8 59.8 -11.9 -9.2 25 28 A L T 3<5S- 0 0 69 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.507 113.0-122.5 -78.8 -4.9 57.9 -14.7 -7.6 26 29 A G T < 5 + 0 0 54 -3,-1.5 -3,-0.2 -4,-0.4 2,-0.1 0.761 51.1 168.7 64.6 24.6 60.5 -15.1 -4.9 27 30 A Y < - 0 0 33 -5,-2.7 -1,-0.2 -6,-0.2 3,-0.1 -0.465 15.9-174.5 -68.6 142.5 61.0 -18.7 -6.0 28 31 A K + 0 0 115 1,-0.1 2,-1.6 -2,-0.1 -1,-0.1 0.735 58.9 78.2-112.7 -33.4 64.1 -20.2 -4.4 29 32 A N S S+ 0 0 57 -25,-0.1 -23,-2.3 2,-0.0 2,-0.3 -0.448 74.6 94.6 -88.2 67.7 64.7 -23.7 -5.8 30 33 A W E -a 6 0A 10 -2,-1.6 2,-0.3 -25,-0.2 -23,-0.2 -0.949 44.5-168.2-144.7 165.2 66.2 -23.0 -9.3 31 34 A H E -a 7 0A 29 -25,-1.7 -23,-2.7 -2,-0.3 2,-0.4 -0.972 11.5-146.3-154.1 147.4 69.6 -22.7 -11.0 32 35 A L E -ac 8 225A 0 192,-2.6 194,-2.5 -2,-0.3 2,-0.4 -0.965 10.7-161.7-120.4 129.4 70.7 -21.4 -14.4 33 36 A Y E +ac 9 226A 22 -25,-2.9 -23,-3.2 -2,-0.4 2,-0.4 -0.931 12.3 172.0-114.6 132.1 73.6 -22.8 -16.3 34 37 A E E - c 0 227A 19 192,-2.6 194,-2.5 -2,-0.4 197,-0.2 -1.000 24.3-155.6-138.0 135.1 75.4 -21.0 -19.2 35 38 A C S S+ 0 0 39 -2,-0.4 197,-0.2 192,-0.2 196,-0.1 0.745 75.9 75.3 -86.0 -23.6 78.6 -22.1 -20.9 36 39 A N S S- 0 0 92 2,-0.1 192,-0.1 192,-0.1 -2,-0.1 -0.432 80.8-129.5 -79.4 163.4 79.7 -18.6 -22.1 37 40 A D S S+ 0 0 122 -2,-0.1 -1,-0.1 190,-0.1 190,-0.1 0.745 89.0 63.4 -81.3 -24.3 81.1 -16.0 -19.7 38 41 A T S S- 0 0 68 3,-0.0 3,-0.5 1,-0.0 -27,-0.1 -0.840 78.5-130.6-110.3 135.9 78.7 -13.3 -20.8 39 42 A P S S+ 0 0 1 0, 0.0 -27,-0.2 0, 0.0 174,-0.1 -0.458 77.7 62.6 -75.9 154.9 74.9 -13.2 -20.4 40 43 A G S > S- 0 0 0 -29,-3.3 3,-2.6 173,-0.2 -28,-0.2 0.282 70.3-151.1 119.7 -9.1 72.7 -12.3 -23.3 41 44 A G G > S- 0 0 27 -3,-0.5 3,-1.6 1,-0.3 -29,-0.1 -0.153 81.2 -0.7 48.6-125.8 73.3 -15.0 -25.9 42 45 A L G 3 S+ 0 0 54 1,-0.3 14,-0.4 13,-0.0 -1,-0.3 0.664 135.8 59.4 -68.0 -15.2 72.7 -13.8 -29.5 43 46 A S G < S+ 0 0 6 -3,-2.6 -1,-0.3 12,-0.1 -2,-0.2 0.266 80.5 121.9 -96.3 10.2 71.8 -10.4 -27.9 44 47 A R < - 0 0 9 -3,-1.6 12,-0.7 -4,-0.1 2,-0.3 -0.253 49.7-144.6 -69.9 160.9 75.2 -9.9 -26.2 45 48 A S E -E 55 0B 25 10,-0.2 2,-0.3 163,-0.1 10,-0.2 -0.897 6.6-152.3-126.7 158.2 77.4 -6.9 -26.9 46 49 A F E -E 54 0B 68 8,-3.1 8,-2.9 -2,-0.3 2,-0.5 -0.915 8.1-147.9-127.2 152.4 81.2 -6.4 -27.1 47 50 A L E -E 53 0B 126 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.988 25.9-151.2-117.4 123.0 83.6 -3.6 -26.6 48 51 A D > - 0 0 32 4,-2.4 3,-1.5 -2,-0.5 336,-0.0 -0.197 31.9 -90.6 -90.8-179.2 86.7 -3.7 -28.8 49 52 A E T 3 S+ 0 0 104 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.826 122.9 49.3 -56.6 -32.3 90.3 -2.4 -28.4 50 53 A N T 3 S- 0 0 90 2,-0.1 -1,-0.3 287,-0.0 3,-0.1 0.307 121.1 -96.7 -98.4 8.1 89.4 1.0 -29.9 51 54 A G S < S+ 0 0 31 -3,-1.5 2,-0.5 1,-0.3 -2,-0.1 0.568 76.5 140.6 89.2 9.3 86.3 1.9 -27.9 52 55 A F - 0 0 1 284,-0.2 -4,-2.4 246,-0.0 2,-0.5 -0.747 44.6-142.4 -85.9 127.9 83.8 0.7 -30.5 53 56 A T E +E 47 0B 14 282,-3.0 2,-0.3 -2,-0.5 -6,-0.2 -0.778 26.8 178.9 -86.3 130.4 80.7 -1.1 -29.1 54 57 A W E +E 46 0B 0 -8,-2.9 -8,-3.1 -2,-0.5 2,-0.2 -0.875 11.2 175.5-126.5 160.3 79.6 -4.0 -31.3 55 58 A D E -E 45 0B 0 -2,-0.3 2,-1.1 -10,-0.2 -10,-0.2 -0.832 49.8 -74.3-145.7-168.9 76.8 -6.6 -31.2 56 59 A L S S- 0 0 14 -12,-0.7 -11,-0.1 -14,-0.4 -12,-0.0 -0.345 109.2 -28.7 -94.6 57.1 75.5 -9.4 -33.4 57 60 A G S S- 0 0 6 -2,-1.1 -1,-0.2 2,-0.1 287,-0.1 0.595 102.7 -72.6 118.1 15.7 73.7 -7.4 -36.0 58 61 A G - 0 0 10 1,-0.1 2,-0.1 287,-0.1 269,-0.1 0.996 60.2-152.1 69.1 67.5 72.6 -4.1 -34.5 59 62 A H - 0 0 46 -16,-0.0 2,-0.3 372,-0.0 150,-0.3 -0.428 12.1-168.7 -75.4 141.7 69.7 -5.2 -32.3 60 63 A V - 0 0 20 -2,-0.1 2,-0.5 143,-0.1 371,-0.2 -0.961 19.8-122.6-126.6 152.1 66.9 -2.9 -31.4 61 64 A I B +F 202 0C 2 141,-2.4 141,-2.5 -2,-0.3 2,-0.3 -0.810 35.8 158.2 -99.0 123.9 64.1 -3.3 -28.8 62 65 A F - 0 0 33 -2,-0.5 2,-0.2 139,-0.2 370,-0.2 -0.830 26.7-153.6-142.3 105.8 60.5 -3.2 -29.8 63 66 A S - 0 0 21 -2,-0.3 -2,-0.0 1,-0.1 3,-0.0 -0.537 26.6-169.5 -90.4 140.7 58.2 -5.0 -27.3 64 67 A H S S+ 0 0 14 -2,-0.2 402,-1.9 401,-0.1 2,-0.4 0.271 76.9 69.5 -93.6 5.6 54.9 -6.6 -27.7 65 68 A Y B > -h 466 0D 5 400,-0.2 4,-1.9 1,-0.1 402,-0.2 -0.975 64.4-151.6-134.1 135.2 54.5 -6.9 -23.9 66 69 A Q H > S+ 0 0 47 400,-2.0 4,-2.4 -2,-0.4 404,-0.3 0.890 103.2 59.7 -62.0 -36.3 54.0 -4.5 -21.0 67 70 A Y H > S+ 0 0 10 401,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.926 106.3 43.9 -58.7 -47.4 55.9 -7.0 -18.9 68 71 A F H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.899 110.6 54.9 -69.5 -42.1 59.1 -6.8 -21.0 69 72 A D H X S+ 0 0 19 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.920 107.7 50.7 -53.6 -44.3 58.9 -3.1 -21.2 70 73 A D H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.907 109.3 51.2 -61.5 -39.8 58.8 -2.9 -17.4 71 74 A V H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.912 107.8 52.1 -64.6 -43.7 61.8 -5.2 -17.3 72 75 A M H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.947 111.4 47.0 -52.5 -51.8 63.7 -3.0 -19.7 73 76 A D H < S+ 0 0 62 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.849 114.2 48.3 -61.3 -36.5 62.9 0.0 -17.4 74 77 A W H < S+ 0 0 31 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.896 116.9 40.3 -69.4 -44.0 64.0 -2.0 -14.3 75 78 A A H < S+ 0 0 7 -4,-2.9 2,-0.4 1,-0.2 -2,-0.2 0.838 121.2 33.6 -78.2 -34.3 67.3 -3.2 -15.8 76 79 A V < - 0 0 15 -4,-2.5 2,-0.4 -5,-0.3 -1,-0.2 -0.981 55.6-165.3-135.2 125.1 68.4 -0.1 -17.6 77 80 A Q S S+ 0 0 147 -2,-0.4 128,-0.1 1,-0.1 -4,-0.0 -0.920 70.9 50.0-102.2 135.8 68.1 3.6 -16.9 78 81 A G + 0 0 31 -2,-0.4 127,-2.1 1,-0.1 128,-0.4 0.803 65.8 172.2 99.3 82.5 69.0 5.8 -19.9 79 82 A W E -G 204 0C 37 125,-0.2 2,-0.5 126,-0.1 -1,-0.1 -0.913 25.8-141.4-120.2 147.3 67.2 4.8 -23.2 80 83 A N E -G 203 0C 44 123,-3.0 123,-2.4 -2,-0.3 2,-0.6 -0.913 12.4-154.4-100.3 134.0 67.0 6.4 -26.6 81 84 A V E -G 202 0C 97 -2,-0.5 2,-0.3 121,-0.2 121,-0.2 -0.956 20.6-170.5-106.4 122.4 63.7 6.1 -28.4 82 85 A L E -G 201 0C 32 119,-3.1 119,-2.1 -2,-0.6 2,-0.5 -0.862 26.6-130.8-117.1 147.5 64.1 6.3 -32.2 83 86 A Q E -G 200 0C 130 -2,-0.3 2,-0.2 117,-0.2 117,-0.2 -0.838 43.3-111.6 -86.7 125.8 61.8 6.7 -35.2 84 87 A R - 0 0 31 115,-2.9 2,-0.5 -2,-0.5 110,-0.2 -0.397 34.1-176.3 -62.9 124.1 62.8 4.0 -37.6 85 88 A E + 0 0 55 -2,-0.2 226,-3.0 224,-0.1 2,-0.3 -0.859 19.3 163.3-121.7 97.1 64.5 5.4 -40.8 86 89 A S - 0 0 8 -2,-0.5 11,-2.0 224,-0.2 2,-0.3 -0.897 12.0-176.6-122.5 142.5 65.1 2.3 -43.0 87 90 A W E -Ij 96 313E 62 225,-1.5 227,-2.8 -2,-0.3 2,-0.5 -0.908 22.3-133.2-138.5 160.5 65.8 2.2 -46.7 88 91 A V E -Ij 95 314E 0 7,-2.6 7,-2.8 -2,-0.3 2,-0.9 -0.970 15.7-146.0-117.2 124.9 66.4 -0.3 -49.6 89 92 A W E +I 94 0E 33 225,-2.9 228,-0.5 -2,-0.5 2,-0.3 -0.776 45.0 140.1 -89.2 107.4 69.4 0.3 -52.0 90 93 A V E > -I 93 0E 0 3,-2.4 3,-2.0 -2,-0.9 -2,-0.1 -0.990 59.2 -0.4-157.7 137.2 68.1 -0.9 -55.3 91 94 A R T 3 S- 0 0 88 -2,-0.3 3,-0.1 1,-0.3 19,-0.1 0.836 127.0 -59.5 48.0 36.2 68.2 0.1 -59.0 92 95 A G T 3 S+ 0 0 43 1,-0.2 2,-0.3 14,-0.1 -1,-0.3 0.606 116.7 101.8 76.5 13.1 70.4 3.1 -57.9 93 96 A R E < S-I 90 0E 118 -3,-2.0 -3,-2.4 -5,-0.1 2,-0.9 -0.903 74.0-122.2-127.2 154.6 67.8 4.6 -55.6 94 97 A W E -I 89 0E 52 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.876 35.1-166.4 -90.0 102.9 67.1 4.7 -51.9 95 98 A V E -I 88 0E 0 -7,-2.8 -7,-2.6 -2,-0.9 4,-0.1 -0.834 22.8-117.1 -93.8 124.1 63.6 3.2 -51.7 96 99 A P E -I 87 0E 3 0, 0.0 -9,-0.2 0, 0.0 6,-0.2 -0.314 51.4 -71.2 -58.3 140.1 61.8 3.7 -48.3 97 100 A Y S S+ 0 0 34 -11,-2.0 98,-0.2 4,-0.1 97,-0.2 -0.493 115.4 49.9 -68.2 144.0 61.0 0.5 -46.4 98 101 A P S >> S- 0 0 2 0, 0.0 3,-1.0 0, 0.0 4,-0.6 0.615 74.6-156.7 -77.5 144.1 58.9 -1.5 -47.1 99 102 A F G >4 S+ 0 0 2 1,-0.2 3,-1.7 2,-0.2 -2,-0.0 0.896 88.2 56.3 -48.7 -51.2 60.0 -1.9 -50.7 100 103 A Q G 34 S+ 0 0 10 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.733 107.4 48.5 -63.6 -24.9 56.7 -3.1 -52.0 101 104 A N G <4 S+ 0 0 11 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.569 113.0 47.7 -89.1 -8.5 54.8 -0.1 -50.7 102 105 A N X< + 0 0 0 -3,-1.7 3,-2.1 -4,-0.6 -1,-0.2 -0.079 59.2 134.1-127.3 34.7 57.2 2.4 -52.2 103 106 A I G > + 0 0 1 -3,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.663 60.9 80.1 -63.2 -15.8 57.8 1.5 -55.8 104 107 A H G 3 S+ 0 0 8 1,-0.3 -1,-0.3 -3,-0.2 7,-0.1 0.622 84.6 63.8 -64.1 -12.0 57.2 5.1 -56.8 105 108 A R G < S+ 0 0 82 -3,-2.1 -1,-0.3 -9,-0.1 -2,-0.2 0.392 84.7 95.7 -93.3 3.7 60.8 5.7 -55.7 106 109 A L S < S- 0 0 5 -3,-2.0 -15,-0.1 1,-0.1 -14,-0.1 -0.530 94.6 -84.1 -82.6 157.9 62.2 3.3 -58.4 107 110 A P >> - 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0 0 0 -4,-1.8 4,-1.9 -5,-0.4 -24,-0.2 -0.033 37.0 -67.0 85.9 167.4 53.5 -9.6 -59.0 143 146 A E H > S+ 0 0 10 -26,-0.3 4,-2.2 1,-0.2 5,-0.2 0.728 125.6 59.0 -68.6 -27.5 56.6 -10.5 -61.1 144 147 A G H > S+ 0 0 0 -31,-0.3 4,-2.3 -30,-0.2 5,-0.3 0.962 112.0 37.4 -65.6 -52.7 58.1 -7.0 -61.0 145 148 A I H X>S+ 0 0 0 -4,-0.6 5,-2.2 -31,-0.3 4,-1.9 0.847 117.8 53.8 -70.3 -32.3 58.4 -6.7 -57.3 146 149 A A H <>S+ 0 0 0 -4,-1.9 5,-3.3 3,-0.2 -1,-0.2 0.917 113.9 39.6 -64.3 -46.0 59.3 -10.4 -57.0 147 150 A D H <5S+ 0 0 53 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.871 121.2 42.0 -76.4 -39.2 62.2 -10.1 -59.5 148 151 A I H <5S- 0 0 1 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.844 138.5 -8.8 -79.3 -35.9 63.5 -6.8 -58.4 149 152 A F T X5S+ 0 0 17 -4,-1.9 4,-3.0 -5,-0.3 5,-0.5 0.713 120.6 55.3-126.6 -58.0 63.2 -7.3 -54.6 150 153 A M H > S+ 0 0 47 0, 0.0 4,-2.0 0, 0.0 -2,-0.2 0.918 119.3 48.7 -70.9 -37.3 66.8 -11.8 -54.6 153 156 A Y H X S+ 0 0 19 -4,-3.0 4,-2.0 2,-0.2 5,-0.3 0.943 111.2 50.2 -65.9 -44.4 66.4 -10.2 -51.2 154 157 A N H X S+ 0 0 12 -4,-2.0 4,-2.5 -5,-0.5 5,-0.4 0.923 111.8 45.5 -63.6 -41.3 64.9 -13.2 -49.6 155 158 A F H X S+ 0 0 70 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.920 111.2 56.8 -63.6 -37.9 67.6 -15.6 -50.8 156 159 A K H < S+ 0 0 19 -4,-2.0 192,-0.6 -5,-0.2 -2,-0.2 0.834 117.8 30.3 -64.2 -34.5 70.2 -13.1 -49.7 157 160 A V H < S+ 0 0 8 -4,-2.0 -2,-0.2 -3,-0.1 192,-0.2 0.913 126.5 39.5 -89.3 -46.9 69.0 -12.9 -46.1 158 161 A W H < S- 0 0 6 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.734 84.8-147.0 -76.8 -22.4 67.6 -16.4 -45.5 159 162 A A S < S+ 0 0 0 -4,-2.1 193,-0.5 -5,-0.4 194,-0.2 0.739 72.4 95.0 57.2 22.8 70.3 -18.3 -47.4 160 163 A V S S- 0 0 3 -6,-0.4 -1,-0.2 -5,-0.1 -2,-0.2 -0.994 91.9-100.3-138.2 138.6 67.6 -20.8 -48.3 161 164 A P > - 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0 0 0 -4,-1.7 4,-2.2 -5,-0.3 -24,-0.2 0.022 38.0 -64.6 82.4 167.0 47.4 -26.2 -64.6 615 146 B E H > S+ 0 0 22 -26,-0.3 4,-2.6 1,-0.2 5,-0.2 0.747 125.8 57.4 -66.0 -29.6 46.8 -27.2 -61.0 616 147 B G H > S+ 0 0 0 -31,-0.3 4,-2.4 -30,-0.3 5,-0.3 0.956 111.8 39.7 -68.7 -50.4 45.1 -30.5 -61.8 617 148 B I H X>S+ 0 0 0 -4,-0.6 4,-2.1 -31,-0.3 5,-2.1 0.883 116.8 52.8 -67.1 -35.9 47.9 -32.0 -63.8 618 149 B A H <>S+ 0 0 0 -4,-2.2 5,-3.1 3,-0.2 -2,-0.2 0.936 114.1 41.1 -62.4 -47.7 50.4 -30.5 -61.3 619 150 B D H <5S+ 0 0 64 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.876 120.9 40.2 -70.2 -41.2 48.7 -32.1 -58.3 620 151 B I H <5S- 0 0 1 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.859 138.8 -7.6 -81.8 -34.8 47.9 -35.5 -59.8 621 152 B F T X5S+ 0 0 15 -4,-2.1 4,-3.1 -5,-0.3 5,-0.4 0.724 120.3 55.1-126.0 -60.4 51.1 -36.0 -61.7 622 153 B M H > S+ 0 0 48 0, 0.0 4,-2.1 0, 0.0 -2,-0.2 0.912 118.6 49.2 -67.8 -39.7 54.4 -36.0 -57.0 625 156 B Y H X S+ 0 0 18 -4,-3.1 4,-2.0 2,-0.2 5,-0.2 0.942 111.3 49.1 -64.7 -46.7 56.1 -37.7 -59.9 626 157 B N H X>S+ 0 0 10 -4,-1.8 4,-2.9 -5,-0.4 5,-0.5 0.907 112.0 46.4 -63.6 -41.3 59.0 -35.3 -60.2 627 158 B F H X5S+ 0 0 72 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.935 111.3 55.3 -61.8 -40.8 59.8 -35.3 -56.5 628 159 B K H <5S+ 0 0 18 -4,-2.1 192,-0.7 -5,-0.2 -2,-0.2 0.818 120.2 28.8 -66.9 -31.7 59.6 -39.1 -56.7 629 160 B V H <5S+ 0 0 7 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.896 127.9 38.7 -89.7 -48.6 62.1 -39.4 -59.5 630 161 B W H <5S- 0 0 6 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.755 85.5-148.6 -74.5 -23.3 64.4 -36.3 -59.0 631 162 B A S < - 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