==== 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 TRANSFERASE 06-AUG-04 1VLP . COMPND 2 MOLECULE: NICOTINATE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1671 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 70218.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1206 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 147 8.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 . 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 . 105 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 182 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 593 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 37 2.2 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 20 3 1 4 4 0 6 6 0 20 4 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 12 8 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 . 13 7 0 0 4 0 4 4 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 . 3 0 0 0 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 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 H 0 0 232 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.4 33.2 15.0 -10.5 2 -1 A H - 0 0 142 1,-0.0 2,-0.5 3,-0.0 0, 0.0 -0.374 360.0-151.8 -65.4 132.7 32.8 14.0 -14.2 3 0 A H - 0 0 162 -2,-0.1 2,-0.1 0, 0.0 -1,-0.0 -0.942 27.3-111.5-101.5 132.5 31.4 10.5 -15.1 4 1 A X - 0 0 141 -2,-0.5 2,-0.0 1,-0.1 0, 0.0 -0.387 33.6-120.2 -64.8 134.3 32.6 9.1 -18.3 5 2 A S - 0 0 25 1,-0.1 -1,-0.1 -2,-0.1 3,-0.0 -0.303 28.9-100.2 -70.6 152.2 29.9 8.8 -20.9 6 3 A E - 0 0 138 1,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.603 45.6-107.3 -69.7 130.8 28.9 5.5 -22.4 7 4 A P - 0 0 52 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.474 27.0-162.9 -63.5 132.9 30.6 5.1 -25.9 8 5 A V S S+ 0 0 18 -2,-0.2 2,-1.0 1,-0.2 -2,-0.0 0.867 79.9 63.4 -82.5 -39.7 28.0 5.4 -28.6 9 6 A I + 0 0 6 1,-0.2 -1,-0.2 50,-0.1 3,-0.1 -0.773 61.8 168.5 -93.7 99.5 30.2 3.9 -31.4 10 7 A K + 0 0 111 -2,-1.0 2,-0.3 1,-0.1 -1,-0.2 0.483 58.2 31.0 -95.8 -3.5 30.6 0.3 -30.1 11 8 A S > - 0 0 6 55,-0.1 3,-1.5 3,-0.1 -1,-0.1 -0.999 66.4-128.5-155.2 146.0 32.1 -1.3 -33.2 12 9 A L T 3 S+ 0 0 13 -2,-0.3 56,-0.1 55,-0.3 -1,-0.1 0.622 112.9 65.1 -68.7 -12.5 34.2 -0.6 -36.2 13 10 A L T 3 S+ 0 0 0 1,-0.1 207,-2.4 206,-0.1 2,-2.1 0.471 71.8 95.5 -82.5 -5.6 31.2 -2.1 -38.1 14 11 A D S < S+ 0 0 2 -3,-1.5 2,-0.3 205,-0.2 -1,-0.1 -0.590 77.7 78.6 -80.9 70.3 28.9 0.8 -37.0 15 12 A T S S- 0 0 4 -2,-2.1 204,-1.9 202,-0.1 205,-0.3 -0.959 94.6 -71.1-163.0 172.3 29.7 2.4 -40.3 16 13 A D B >> -A 218 0A 0 -2,-0.3 3,-2.0 202,-0.2 4,-0.7 -0.609 40.1-126.3 -78.7 136.8 28.8 2.3 -44.0 17 14 A X H >> S+ 0 0 9 200,-2.5 4,-2.0 213,-0.5 3,-0.8 0.833 107.3 67.7 -52.6 -34.7 30.1 -0.8 -45.9 18 15 A Y H 3> S+ 0 0 13 212,-0.4 4,-2.7 1,-0.2 -1,-0.3 0.814 92.6 61.1 -59.4 -25.9 31.7 1.5 -48.5 19 16 A K H <> S+ 0 0 0 -3,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.913 106.0 44.9 -66.4 -38.9 34.1 2.6 -45.8 20 17 A I H < + 0 0 35 -4,-2.0 3,-0.7 -5,-0.4 99,-0.3 -0.281 60.8 146.7-134.2 51.4 48.0 3.3 -51.6 31 28 A P T 3 S+ 0 0 50 0, 0.0 98,-0.1 0, 0.0 -1,-0.1 0.592 80.0 44.8 -64.1 -13.5 49.2 2.4 -48.1 32 29 A D T 3 S+ 0 0 112 -3,-0.1 -2,-0.1 95,-0.1 -5,-0.1 0.593 84.2 109.5-104.1 -27.8 51.7 5.3 -48.1 33 30 A V < - 0 0 2 -3,-0.7 95,-3.1 -7,-0.2 2,-0.3 -0.318 58.1-143.3 -61.2 140.9 49.6 8.2 -49.5 34 31 A T E +B 127 0B 67 93,-0.3 353,-2.5 94,-0.1 2,-0.3 -0.798 21.3 178.5-110.5 146.2 48.7 10.9 -47.0 35 32 A V E -BC 126 386B 3 91,-3.0 91,-2.2 -2,-0.3 2,-0.4 -0.948 21.3-146.2-141.0 163.5 45.4 12.7 -46.9 36 33 A T E -BC 125 385B 18 349,-2.2 348,-2.9 -2,-0.3 349,-1.6 -0.996 11.9-165.7-131.0 132.2 43.4 15.4 -45.1 37 34 A Y E -BC 124 383B 6 87,-2.9 87,-2.3 -2,-0.4 2,-0.4 -0.874 10.8-154.1-106.6 151.8 39.6 15.4 -44.6 38 35 A K E -BC 123 382B 73 344,-2.5 344,-2.4 -2,-0.3 2,-0.3 -0.987 10.0-132.7-133.2 136.6 37.7 18.4 -43.4 39 36 A Y E - C 0 381B 11 83,-2.3 2,-0.4 -2,-0.4 83,-0.3 -0.610 24.1-175.9 -77.2 137.1 34.4 18.9 -41.6 40 37 A T E - C 0 380B 31 340,-2.5 340,-2.4 -2,-0.3 2,-0.8 -0.998 18.7-152.8-137.5 131.9 32.0 21.5 -43.0 41 38 A N E - C 0 379B 32 -2,-0.4 338,-0.2 338,-0.2 3,-0.1 -0.915 11.9-178.6 -99.2 100.0 28.7 22.5 -41.4 42 39 A R S S+ 0 0 131 336,-2.5 2,-1.3 -2,-0.8 337,-0.2 0.770 79.7 66.7 -71.7 -24.1 26.6 23.7 -44.4 43 40 A S > + 0 0 28 335,-0.9 3,-2.4 1,-0.2 -1,-0.2 -0.545 69.7 167.5 -87.7 67.2 23.8 24.5 -41.9 44 41 A S T 3 + 0 0 82 -2,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.620 65.4 65.3 -73.3 -10.6 25.9 27.3 -40.4 45 42 A Q T 3 S+ 0 0 89 -3,-0.1 2,-0.6 2,-0.1 -1,-0.3 0.582 86.3 85.4 -78.9 -10.0 23.1 28.9 -38.4 46 43 A L < - 0 0 44 -3,-2.4 2,-0.2 -5,-0.0 -3,-0.1 -0.853 68.8-178.3 -92.6 124.8 23.0 25.7 -36.4 47 44 A T - 0 0 13 -2,-0.6 2,-0.2 757,-0.1 72,-0.2 -0.732 19.8-120.9-128.3 167.9 25.6 25.9 -33.6 48 45 A F B -D 118 0B 2 70,-3.0 70,-2.6 -2,-0.2 2,-0.2 -0.680 13.2-145.5-111.3 161.4 27.1 24.0 -30.7 49 46 A N > - 0 0 42 -2,-0.2 4,-2.2 68,-0.2 5,-0.2 -0.689 34.9-100.5-116.5 173.9 27.5 24.5 -27.0 50 47 A K H > S+ 0 0 61 66,-0.3 4,-2.6 -2,-0.2 5,-0.2 0.878 119.4 56.8 -64.8 -37.6 30.2 23.6 -24.5 51 48 A E H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.950 109.2 45.2 -57.5 -50.2 28.3 20.5 -23.3 52 49 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.908 113.2 51.2 -58.9 -44.0 28.1 19.0 -26.8 53 50 A I H X S+ 0 0 17 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.923 109.9 48.0 -62.8 -45.1 31.8 19.9 -27.5 54 51 A N H X S+ 0 0 105 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.894 112.7 48.8 -64.7 -40.8 33.0 18.2 -24.3 55 52 A W H X S+ 0 0 22 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.913 111.2 51.1 -63.7 -43.4 30.9 15.1 -25.0 56 53 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.904 105.7 54.3 -59.0 -44.8 32.3 15.0 -28.5 57 54 A K H X S+ 0 0 141 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.943 112.9 44.4 -56.6 -45.4 35.9 15.2 -27.3 58 55 A E H X S+ 0 0 26 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.944 113.8 48.7 -60.7 -51.2 35.2 12.2 -25.1 59 56 A Q H X S+ 0 0 3 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.878 109.1 52.9 -60.6 -40.4 33.4 10.2 -27.8 60 57 A F H >< S+ 0 0 9 -4,-2.9 3,-0.9 1,-0.2 4,-0.5 0.908 106.5 53.4 -62.6 -42.0 36.1 10.8 -30.3 61 58 A S H >< S+ 0 0 62 -4,-1.7 3,-1.6 -5,-0.3 -1,-0.2 0.870 99.8 62.6 -61.5 -36.6 38.8 9.5 -27.9 62 59 A Y H >X S+ 0 0 19 -4,-1.6 3,-2.2 1,-0.3 4,-0.5 0.763 86.3 73.3 -61.8 -24.7 36.8 6.3 -27.5 63 60 A L G X< S+ 0 0 2 -3,-0.9 3,-1.0 -4,-0.8 35,-0.5 0.842 88.0 63.4 -57.0 -31.8 37.3 5.5 -31.2 64 61 A G G <4 S+ 0 0 13 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.594 96.8 58.0 -66.9 -11.4 40.8 4.8 -30.2 65 62 A N G <4 S+ 0 0 118 -3,-2.2 -1,-0.2 -4,-0.2 -2,-0.2 0.558 82.9 106.9 -93.5 -10.0 39.6 1.9 -28.0 66 63 A L << + 0 0 20 -3,-1.0 32,-0.4 -4,-0.5 2,-0.3 -0.414 41.4 175.0 -75.7 143.5 37.8 -0.0 -30.7 67 64 A R - 0 0 112 -2,-0.1 2,-0.6 30,-0.1 -55,-0.3 -0.977 39.7-104.2-136.8 152.8 39.2 -3.3 -32.2 68 65 A F - 0 0 19 23,-0.5 2,-0.1 -2,-0.3 28,-0.1 -0.686 43.8-140.6 -73.0 121.1 37.6 -5.7 -34.8 69 66 A T > - 0 0 70 -2,-0.6 4,-2.6 1,-0.1 5,-0.2 -0.321 21.7-105.3 -75.2 167.4 36.4 -8.7 -32.7 70 67 A E H > S+ 0 0 183 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.914 123.0 48.7 -55.6 -44.8 36.7 -12.3 -33.9 71 68 A E H > S+ 0 0 129 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.868 110.1 52.3 -67.2 -35.7 33.0 -12.4 -34.7 72 69 A E H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.923 109.7 47.5 -67.4 -43.2 33.2 -9.1 -36.6 73 70 A I H X S+ 0 0 15 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.919 111.2 51.6 -66.1 -41.8 36.1 -10.4 -38.8 74 71 A E H X S+ 0 0 101 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.916 108.6 52.2 -56.4 -44.8 34.2 -13.6 -39.4 75 72 A Y H X S+ 0 0 31 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.912 109.5 48.9 -58.5 -43.1 31.2 -11.5 -40.5 76 73 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 7,-0.2 0.910 110.3 50.2 -64.8 -42.3 33.3 -9.6 -42.9 77 74 A K H < S+ 0 0 106 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.878 115.2 44.8 -65.0 -37.9 34.8 -12.8 -44.4 78 75 A Q H < S+ 0 0 130 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.935 123.5 31.0 -69.6 -48.1 31.3 -14.3 -44.9 79 76 A E H < S+ 0 0 75 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.642 131.0 33.5 -91.0 -22.7 29.5 -11.2 -46.3 80 77 A I >< + 0 0 1 -4,-2.4 3,-1.8 -5,-0.3 -1,-0.2 -0.580 69.4 161.9-128.2 67.4 32.4 -9.6 -48.2 81 78 A P T 3 + 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.704 66.9 66.6 -68.0 -18.0 34.4 -12.6 -49.3 82 79 A Y T 3 + 0 0 60 -3,-0.1 -5,-0.1 2,-0.1 3,-0.1 0.415 68.1 118.2 -84.2 -1.9 36.3 -10.7 -51.9 83 80 A L S < S- 0 0 10 -3,-1.8 180,-0.1 -7,-0.2 -62,-0.1 -0.504 80.1-100.5 -56.9 131.7 38.1 -8.5 -49.3 84 81 A P >> - 0 0 28 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.295 19.9-124.5 -59.5 143.0 41.8 -9.4 -49.9 85 82 A S H 3> S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.860 110.7 54.3 -47.5 -44.2 43.4 -11.8 -47.5 86 83 A A H 3> S+ 0 0 60 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.793 105.6 52.6 -68.3 -30.6 46.1 -9.3 -46.6 87 84 A Y H <> S+ 0 0 0 -3,-0.8 4,-2.6 2,-0.2 5,-0.3 0.945 108.8 49.8 -67.5 -49.1 43.6 -6.7 -45.6 88 85 A I H X S+ 0 0 19 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.875 111.0 49.8 -57.7 -44.4 41.8 -9.1 -43.3 89 86 A K H X S+ 0 0 110 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.885 110.1 52.2 -57.8 -42.3 45.2 -10.0 -41.7 90 87 A Y H < S+ 0 0 44 -4,-1.7 3,-0.3 1,-0.2 6,-0.3 0.921 114.9 38.7 -63.8 -47.4 46.0 -6.3 -41.3 91 88 A I H < S+ 0 0 3 -4,-2.6 -23,-0.5 1,-0.2 -1,-0.2 0.671 114.5 56.7 -77.6 -15.9 42.7 -5.5 -39.5 92 89 A S H < S+ 0 0 60 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.640 87.1 103.6 -82.1 -25.9 42.9 -8.8 -37.5 93 90 A S S >< S- 0 0 44 -4,-1.2 3,-1.2 -3,-0.3 -3,-0.0 -0.278 79.8-127.1 -62.0 147.9 46.3 -8.0 -36.1 94 91 A S T 3 S+ 0 0 109 1,-0.2 -1,-0.1 -27,-0.1 -4,-0.1 0.698 109.6 66.9 -65.1 -16.5 46.7 -6.9 -32.5 95 92 A N T 3 S+ 0 0 123 -5,-0.1 -1,-0.2 2,-0.0 2,-0.2 0.774 79.7 101.3 -74.4 -25.7 48.6 -3.9 -34.1 96 93 A Y < + 0 0 13 -3,-1.2 2,-0.3 -6,-0.3 -28,-0.1 -0.396 43.8 121.0 -66.9 129.2 45.5 -2.5 -35.7 97 94 A K - 0 0 62 -2,-0.2 2,-0.3 -30,-0.1 -33,-0.1 -0.946 58.1-100.0-168.9 165.0 43.7 0.4 -34.1 98 95 A L - 0 0 7 -35,-0.5 3,-0.1 -32,-0.4 33,-0.1 -0.635 23.9-154.4 -82.9 150.9 42.6 4.0 -34.8 99 96 A H >> + 0 0 43 31,-0.3 4,-2.5 -2,-0.3 3,-1.2 -0.692 21.6 167.9-125.5 73.2 44.7 6.8 -33.3 100 97 A P H 3> S+ 0 0 9 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.823 73.6 63.4 -59.7 -31.5 42.3 9.7 -32.9 101 98 A E H 34 S+ 0 0 134 1,-0.2 -40,-0.0 2,-0.2 -2,-0.0 0.797 115.5 31.1 -62.9 -28.9 44.9 11.6 -30.8 102 99 A E H <4 S+ 0 0 137 -3,-1.2 -1,-0.2 3,-0.0 23,-0.1 0.792 126.7 41.0 -94.8 -35.7 47.2 11.8 -33.8 103 100 A Q H < S+ 0 0 15 -4,-2.5 22,-2.2 21,-0.1 2,-0.5 0.804 102.6 67.1 -88.1 -36.5 44.7 11.9 -36.6 104 101 A I E < -E 124 0B 22 -4,-2.6 2,-0.6 -5,-0.2 20,-0.2 -0.820 52.4-171.7 -95.8 126.8 41.9 14.2 -35.4 105 102 A S E +E 123 0B 62 18,-3.0 18,-2.2 -2,-0.5 2,-0.5 -0.962 18.0 176.0-110.3 105.4 42.5 17.9 -34.9 106 103 A F E +E 122 0B 44 -2,-0.6 2,-0.3 16,-0.2 16,-0.2 -0.969 7.9 153.6-120.1 112.5 39.3 19.1 -33.2 107 104 A T E -E 121 0B 72 14,-2.6 14,-3.0 -2,-0.5 2,-0.3 -0.847 24.7-148.9-124.1 171.3 39.0 22.7 -32.0 108 105 A S E -E 120 0B 47 -2,-0.3 2,-0.4 12,-0.2 12,-0.2 -0.973 3.9-154.9-142.8 156.9 36.0 25.0 -31.5 109 106 A E E -E 119 0B 71 10,-2.3 10,-2.7 -2,-0.3 2,-0.3 -0.999 22.4-120.4-140.9 125.4 35.5 28.7 -31.8 110 107 A E E -E 118 0B 91 -2,-0.4 2,-0.3 8,-0.2 8,-0.3 -0.533 41.8-112.9 -62.7 132.9 33.1 31.0 -30.1 111 108 A I E > -E 114 0B 39 6,-3.0 3,-2.7 3,-0.5 6,-0.2 -0.504 26.8-112.0 -80.5 126.6 31.0 32.6 -32.9 112 109 A E T 3 S+ 0 0 192 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 -0.362 104.9 10.9 -55.9 126.8 31.5 36.4 -33.3 113 110 A G T 3 S+ 0 0 48 -2,-0.1 337,-0.3 -3,-0.0 -1,-0.3 0.445 119.2 77.1 80.4 1.8 28.3 38.1 -32.3 114 111 A K E X - E 0 111B 17 -3,-2.7 3,-2.0 3,-0.2 -3,-0.5 -0.437 68.6-168.6-136.3 61.7 26.9 34.8 -30.8 115 112 A P E 3 S+ 0 0 71 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.243 73.9 27.2 -61.3 142.7 28.7 34.4 -27.4 116 113 A T E 3 S+ 0 0 79 1,-0.3 2,-0.4 689,-0.0 -66,-0.3 0.295 104.4 100.2 87.1 -3.5 28.2 31.0 -25.8 117 114 A H E < - 0 0 25 -3,-2.0 -6,-3.0 -6,-0.2 2,-0.3 -0.928 57.0-163.4-116.5 142.9 27.7 29.5 -29.2 118 115 A Y E -DE 48 110B 46 -70,-2.6 -70,-3.0 -2,-0.4 2,-0.4 -0.921 18.7-146.2-132.1 144.8 30.4 27.6 -31.1 119 116 A K E - E 0 109B 86 -10,-2.7 -10,-2.3 -2,-0.3 2,-0.3 -0.854 28.0-127.5-101.8 145.3 31.5 26.4 -34.4 120 117 A L E - E 0 108B 14 -2,-0.4 2,-0.5 -12,-0.2 -12,-0.2 -0.697 14.8-163.3 -91.2 141.1 33.5 23.2 -34.8 121 118 A K E + E 0 107B 133 -14,-3.0 -14,-2.6 -2,-0.3 2,-0.4 -0.989 17.0 172.2-122.8 119.4 36.7 22.8 -36.6 122 119 A I E + E 0 106B 3 -2,-0.5 -83,-2.3 -83,-0.3 2,-0.4 -0.978 9.7 174.7-134.8 119.5 37.7 19.3 -37.5 123 120 A L E -BE 38 105B 54 -18,-2.2 -18,-3.0 -2,-0.4 2,-0.5 -0.981 11.2-163.8-118.2 136.2 40.6 18.1 -39.6 124 121 A V E +BE 37 104B 3 -87,-2.3 -87,-2.9 -2,-0.4 2,-0.4 -0.983 23.6 165.7-119.4 115.2 41.5 14.4 -40.0 125 122 A S E +B 36 0B 54 -22,-2.2 2,-0.3 -2,-0.5 -89,-0.2 -0.988 17.6 75.8-142.3 146.7 45.0 13.8 -41.5 126 123 A G E S-B 35 0B 17 -91,-2.2 -91,-3.0 -2,-0.4 5,-0.1 -0.964 83.3 -9.5 151.6-164.2 47.5 11.1 -41.9 127 124 A S E >> -B 34 0B 19 -2,-0.3 3,-1.1 -93,-0.2 4,-0.9 -0.322 66.2-120.6 -60.2 144.8 48.0 8.0 -44.1 128 125 A W H >> S+ 0 0 0 -95,-3.1 4,-2.2 -98,-0.3 3,-1.0 0.908 114.3 52.9 -57.8 -41.4 45.0 7.3 -46.1 129 126 A K H 34 S+ 0 0 48 -99,-0.3 -1,-0.3 -96,-0.3 4,-0.2 0.708 111.2 48.2 -65.7 -22.7 44.7 3.8 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140 137 A S H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.896 113.6 45.8 -59.1 -40.0 27.1 10.0 -36.6 141 138 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.900 110.9 50.1 -69.9 -43.3 28.6 11.4 -33.4 142 139 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.934 113.3 47.2 -63.4 -46.5 28.3 15.1 -34.3 143 140 A S H X S+ 0 0 0 -4,-2.7 4,-2.2 40,-0.3 5,-0.2 0.952 113.0 48.8 -58.3 -50.2 24.7 14.6 -35.3 144 141 A E H X S+ 0 0 22 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.921 111.3 50.4 -56.9 -44.3 23.9 12.7 -32.1 145 142 A A H X>S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.6 0.917 108.7 52.1 -55.0 -48.5 25.7 15.4 -30.0 146 143 A Y H X>S+ 0 0 16 -4,-2.5 5,-2.2 1,-0.2 4,-2.1 0.928 114.6 41.0 -60.4 -46.7 23.7 18.2 -31.6 147 144 A F H <5S+ 0 0 2 -4,-2.2 -1,-0.2 39,-0.3 -2,-0.2 0.607 117.8 48.3 -81.6 -12.0 20.3 16.4 -30.9 148 145 A K H <5S+ 0 0 105 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.800 130.4 13.4 -86.0 -43.1 21.3 15.4 -27.4 149 146 A F H <5S+ 0 0 35 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.665 132.4 32.8-111.2 -27.9 22.7 18.7 -26.1 150 147 A V T < + 0 0 58 -2,-0.3 3,-2.0 208,-0.1 4,-0.4 0.411 64.5 138.6 -97.1 5.2 11.1 9.1 -30.7 157 154 A E T 3 S- 0 0 137 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 -0.224 78.9 -1.8 -59.1 132.5 7.3 8.8 -30.8 158 155 A N T 3> S+ 0 0 111 1,-0.1 4,-2.5 3,-0.0 -1,-0.3 0.490 90.3 126.4 67.7 9.0 6.1 7.0 -33.9 159 156 A Q H <> S+ 0 0 7 -3,-2.0 4,-2.2 2,-0.2 5,-0.2 0.952 77.1 45.2 -61.8 -45.9 9.7 6.6 -35.4 160 157 A L H > S+ 0 0 33 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.961 115.5 46.5 -62.1 -49.6 9.2 2.8 -35.9 161 158 A E H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.842 110.6 53.2 -59.5 -38.6 5.7 3.2 -37.3 162 159 A Q H X S+ 0 0 56 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.905 111.1 45.5 -66.0 -43.2 6.8 5.9 -39.7 163 160 A A H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.903 111.2 53.8 -63.5 -44.1 9.7 3.8 -41.1 164 161 A E H X S+ 0 0 33 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.926 108.0 49.6 -56.3 -45.8 7.3 0.8 -41.4 165 162 A K H X S+ 0 0 151 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.885 111.0 49.5 -62.0 -41.8 4.8 2.8 -43.5 166 163 A K H X S+ 0 0 21 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.960 112.0 48.0 -61.0 -51.1 7.6 4.1 -45.8 167 164 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.905 109.8 52.8 -57.4 -42.2 8.9 0.6 -46.3 168 165 A E H X S+ 0 0 76 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.887 109.0 49.1 -65.6 -39.1 5.4 -0.8 -47.0 169 166 A T H X S+ 0 0 47 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.927 111.5 49.6 -62.6 -45.5 4.8 1.8 -49.6 170 167 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 3,-0.9 0.956 111.3 48.6 -57.2 -50.7 8.1 1.0 -51.3 171 168 A F H ><5S+ 0 0 1 -4,-2.8 3,-2.0 1,-0.3 -2,-0.2 0.895 106.5 56.7 -61.4 -40.2 7.3 -2.7 -51.2 172 169 A D H 3<5S+ 0 0 101 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.774 108.8 47.8 -60.0 -27.4 3.8 -2.2 -52.7 173 170 A N T <<5S- 0 0 72 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.250 117.3-115.4 -95.1 11.4 5.5 -0.4 -55.6 174 171 A G T < 5 + 0 0 44 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.770 55.4 168.0 60.4 29.8 8.1 -3.2 -56.1 175 172 A I < - 0 0 5 -5,-2.3 2,-0.6 -6,-0.2 -1,-0.2 -0.626 29.5-148.6 -82.1 125.3 10.9 -0.9 -55.1 176 173 A R + 0 0 115 176,-0.4 178,-1.4 -2,-0.4 2,-0.3 -0.846 37.5 158.2 -93.3 115.8 14.3 -2.5 -54.4 177 174 A F E -gh 213 354C 0 35,-1.9 37,-2.7 -2,-0.6 38,-0.8 -0.941 33.3-149.9-140.6 157.7 16.0 -0.3 -51.8 178 175 A S E -gh 215 355C 8 176,-2.6 178,-2.8 -2,-0.3 2,-0.3 -0.955 28.1-113.5-124.5 151.3 18.6 -0.2 -49.1 179 176 A E E +gh 216 356C 1 36,-2.1 38,-2.9 -2,-0.3 39,-0.3 -0.648 37.8 166.3 -78.3 134.6 18.8 1.9 -45.9 180 177 A F + 0 0 30 176,-2.0 3,-0.4 -2,-0.3 177,-0.3 0.073 34.3 112.8-141.0 19.7 21.7 4.3 -46.1 181 178 A G + 0 0 1 175,-0.4 4,-0.4 176,-0.4 3,-0.3 0.216 34.3 111.5 -94.5 17.9 21.2 6.8 -43.3 182 179 A T S > S+ 0 0 0 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.937 75.5 52.9 -54.9 -51.2 24.1 6.1 -40.9 183 180 A R T 3 S+ 0 0 61 -3,-0.4 -40,-0.3 1,-0.3 -1,-0.2 0.841 119.4 31.6 -64.2 -33.3 26.0 9.4 -41.4 184 181 A R T 3 S+ 0 0 54 -3,-0.3 -1,-0.3 -41,-0.1 -2,-0.2 0.152 82.7 141.1-113.1 24.6 23.1 11.7 -40.7 185 182 A R < - 0 0 0 -3,-1.7 177,-0.2 -4,-0.4 3,-0.1 -0.312 55.8-133.1 -60.9 145.8 21.2 9.7 -38.2 186 183 A R S S- 0 0 1 175,-2.3 -39,-0.3 1,-0.3 2,-0.3 0.863 84.8 -25.5 -66.3 -31.6 19.7 11.7 -35.3 187 184 A S > - 0 0 3 174,-0.4 4,-1.9 1,-0.1 -1,-0.3 -0.958 64.2-100.7-168.8 163.7 21.1 9.0 -33.0 188 185 A L H > S+ 0 0 41 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.940 125.2 53.7 -56.1 -42.8 22.1 5.3 -33.0 189 186 A K H > S+ 0 0 118 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.855 104.3 55.0 -62.0 -39.4 18.8 4.6 -31.3 190 187 A A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.920 109.7 46.1 -60.6 -48.1 16.9 6.4 -34.2 191 188 A Q H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.927 111.1 52.5 -63.2 -42.3 18.5 4.2 -36.8 192 189 A D H X S+ 0 0 24 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.904 109.2 50.2 -57.4 -41.4 17.8 1.1 -34.7 193 190 A L H X S+ 0 0 29 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.909 110.4 48.6 -66.5 -40.4 14.1 2.1 -34.4 194 191 A I H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.882 108.6 54.4 -69.1 -31.6 13.8 2.6 -38.2 195 192 A X H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.934 107.3 51.7 -62.0 -46.7 15.6 -0.8 -38.8 196 193 A Q H X S+ 0 0 74 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.909 110.4 48.8 -51.4 -44.5 12.8 -2.2 -36.6 197 194 A G H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.916 110.9 48.4 -66.1 -42.6 10.1 -0.6 -38.7 198 195 A I H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.947 113.3 47.0 -62.4 -49.9 11.6 -1.7 -42.0 199 196 A X H X S+ 0 0 24 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.865 108.9 55.1 -66.0 -32.7 11.9 -5.3 -40.7 200 197 A K H X S+ 0 0 123 -4,-2.1 4,-0.6 -5,-0.2 -1,-0.2 0.905 110.3 47.7 -64.4 -40.9 8.3 -5.2 -39.4 201 198 A A H >X S+ 0 0 1 -4,-2.2 3,-0.9 2,-0.2 4,-0.5 0.920 110.8 49.8 -60.2 -49.9 7.3 -4.2 -42.9 202 199 A V H >< S+ 0 0 2 -4,-2.7 3,-1.7 1,-0.2 7,-0.4 0.943 109.4 52.4 -52.7 -49.8 9.3 -7.0 -44.5 203 200 A N H 3< S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.541 93.2 71.3 -76.2 -4.3 7.8 -9.6 -42.1 204 201 A G H << S+ 0 0 62 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.687 126.9 3.3 -74.3 -24.7 4.2 -8.5 -42.9 205 202 A N S XX S+ 0 0 66 -3,-1.7 4,-3.2 -4,-0.5 3,-0.9 -0.350 75.7 165.0-158.6 64.9 4.8 -10.2 -46.4 206 203 A P H 3> S+ 0 0 41 0, 0.0 4,-2.4 0, 0.0 5,-0.4 0.856 72.1 64.1 -63.4 -34.2 8.2 -11.8 -46.4 207 204 A D H 34 S+ 0 0 159 1,-0.2 4,-0.2 2,-0.2 -4,-0.1 0.848 120.8 24.2 -55.9 -37.4 7.5 -13.9 -49.5 208 205 A R H <4 S+ 0 0 93 -3,-0.9 3,-0.3 -6,-0.2 4,-0.2 0.856 127.5 45.1 -90.1 -40.2 7.2 -10.7 -51.5 209 206 A N H >X S+ 0 0 5 -4,-3.2 4,-1.7 -7,-0.4 3,-1.3 0.745 92.8 73.4 -87.6 -28.9 9.2 -8.2 -49.4 210 207 A K T 3< S+ 0 0 112 -4,-2.4 -1,-0.2 -5,-0.3 3,-0.2 0.886 100.8 46.3 -55.4 -42.1 12.4 -10.0 -48.5 211 208 A S T 34 S+ 0 0 68 -5,-0.4 -1,-0.3 -3,-0.3 -2,-0.2 0.552 108.1 57.2 -78.1 -12.2 13.8 -9.7 -52.0 212 209 A L T <4 S+ 0 0 20 -3,-1.3 -35,-1.9 -4,-0.2 2,-0.9 0.769 91.5 75.0 -84.9 -33.5 12.8 -6.0 -52.3 213 210 A L E < -g 177 0C 17 -4,-1.7 15,-0.2 -37,-0.2 -35,-0.2 -0.752 61.6-174.8 -80.4 108.2 14.9 -5.0 -49.2 214 211 A L E - 0 0 37 -37,-2.7 14,-0.4 -2,-0.9 2,-0.3 0.843 44.7-111.8 -69.8 -36.9 18.4 -5.2 -50.5 215 212 A G E -g 178 0C 1 -38,-0.8 -36,-2.1 12,-0.1 2,-0.3 -0.994 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