==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-JUN-06 2IVE . COMPND 2 MOLECULE: PROTOPORPHYRINOGEN OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYXOCOCCUS XANTHUS; . AUTHOR H.R.CORRADI,A.V.CORRIGALL,E.BOIX,C.G.MOHAN,E.D.STURROCK, . 901 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42312.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 623 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 14.8 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 . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 67 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 257 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.4 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 2 0 9 1 2 3 4 1 0 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 4 3 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 PARALLEL BRIDGES PER LADDER . 6 4 2 5 2 2 1 2 2 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 . 2 5 0 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 10 A M 0 0 106 0, 0.0 24,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -15.8 108.4 31.7 3.8 2 11 A N - 0 0 58 22,-0.1 263,-1.8 24,-0.0 264,-1.4 -0.885 360.0-163.9-112.2 138.9 105.2 33.8 3.5 3 12 A V E -ab 26 266A 3 22,-1.8 24,-2.5 -2,-0.4 2,-0.4 -0.909 8.6-148.0-123.5 143.2 101.9 33.1 5.2 4 13 A A E -ab 27 267A 1 262,-2.2 264,-2.4 -2,-0.3 2,-0.5 -0.917 8.7-159.6-110.0 139.8 98.3 34.3 4.6 5 14 A V E -ab 28 268A 0 22,-3.3 24,-2.8 -2,-0.4 2,-0.7 -0.973 2.8-157.8-122.7 119.1 95.8 34.7 7.5 6 15 A V E +ab 29 269A 12 262,-2.7 264,-2.9 -2,-0.5 265,-0.4 -0.860 64.3 38.6-100.7 112.5 92.0 34.8 6.7 7 16 A G - 0 0 11 22,-2.9 23,-0.2 -2,-0.7 22,-0.1 0.119 61.4-141.5 115.9 127.8 90.1 36.5 9.5 8 17 A G + 0 0 0 4,-0.1 28,-3.3 26,-0.1 22,-0.1 -0.017 62.9 109.8-111.7 27.6 90.9 39.5 11.6 9 18 A G B > S-e 36 0B 19 26,-0.2 4,-3.1 261,-0.2 5,-0.2 -0.252 92.5 -78.6 -83.9-176.4 89.5 38.4 15.0 10 19 A I H > S+ 0 0 18 26,-0.7 4,-2.8 1,-0.2 5,-0.3 0.866 131.0 55.5 -54.3 -42.0 91.7 37.5 18.0 11 20 A S H > S+ 0 0 9 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.929 116.2 36.8 -57.1 -47.7 92.5 34.1 16.6 12 21 A G H > S+ 0 0 0 258,-0.2 4,-2.4 -3,-0.2 -2,-0.2 0.898 117.5 50.2 -72.2 -44.2 93.8 35.6 13.3 13 22 A L H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.934 112.0 47.7 -60.1 -48.4 95.4 38.6 14.8 14 23 A A H X S+ 0 0 5 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.878 111.7 50.2 -62.8 -41.4 97.3 36.6 17.4 15 24 A V H X S+ 0 0 0 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.2 0.933 114.0 44.9 -60.6 -48.8 98.5 34.1 14.8 16 25 A A H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.897 114.4 49.2 -63.5 -42.5 99.8 36.9 12.5 17 26 A H H X S+ 0 0 10 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.904 111.5 48.3 -63.3 -44.4 101.4 38.8 15.4 18 27 A H H < S+ 0 0 40 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.842 110.6 51.8 -67.9 -34.8 103.2 35.7 16.7 19 28 A L H ><>S+ 0 0 5 -4,-1.9 3,-1.2 -5,-0.2 5,-1.0 0.925 111.6 45.3 -67.1 -46.9 104.5 34.8 13.3 20 29 A R H ><5S+ 0 0 106 -4,-2.0 3,-2.3 1,-0.3 4,-0.3 0.942 107.5 57.7 -61.5 -48.9 106.0 38.2 12.6 21 30 A S T 3<5S+ 0 0 73 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.310 109.2 48.5 -69.0 10.6 107.5 38.4 16.1 22 31 A R T < 5S- 0 0 136 -3,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.137 128.5 -88.4-133.4 17.6 109.4 35.2 15.2 23 32 A G T < 5S+ 0 0 70 -3,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.934 89.1 116.9 76.6 49.1 110.8 36.1 11.8 24 33 A T < - 0 0 31 -5,-1.0 2,-0.3 -4,-0.3 -2,-0.2 -0.897 59.0-134.0-145.6 114.1 108.0 35.0 9.5 25 34 A D - 0 0 98 -24,-0.5 -22,-1.8 -2,-0.3 2,-0.3 -0.517 29.2-175.3 -73.5 130.1 106.2 37.6 7.3 26 35 A A E -a 3 0A 5 -2,-0.3 2,-0.4 -24,-0.2 -22,-0.2 -0.939 18.6-149.3-129.4 147.8 102.4 37.2 7.4 27 36 A V E -a 4 0A 32 -24,-2.5 -22,-3.3 -2,-0.3 2,-0.4 -0.973 12.7-158.2-117.5 131.1 99.5 38.9 5.6 28 37 A L E -ac 5 233A 1 204,-3.4 206,-3.4 -2,-0.4 2,-0.4 -0.927 4.6-166.6-113.6 133.5 96.1 39.2 7.3 29 38 A L E -ac 6 234A 3 -24,-2.8 -22,-2.9 -2,-0.4 2,-0.4 -0.973 5.4-176.3-124.7 128.0 92.9 39.8 5.4 30 39 A E E - c 0 235A 18 204,-1.8 207,-3.3 -2,-0.4 206,-0.7 -0.987 23.2-150.7-130.7 129.3 89.6 40.8 7.0 31 40 A S S S+ 0 0 68 -2,-0.4 207,-0.2 205,-0.3 -1,-0.1 0.890 76.2 77.1 -59.8 -45.0 86.1 41.2 5.4 32 41 A S S S- 0 0 60 2,-0.2 204,-2.4 205,-0.1 205,-0.3 -0.055 90.3-114.2 -68.0 166.9 84.9 44.0 7.8 33 42 A A S S+ 0 0 91 202,-0.2 2,-0.3 203,-0.1 -1,-0.1 0.568 101.7 40.6 -71.8 -10.4 85.9 47.7 7.8 34 43 A R S S- 0 0 81 3,-0.0 3,-0.4 201,-0.0 -2,-0.2 -0.973 80.3-119.0-141.3 150.3 87.6 46.9 11.2 35 44 A L S S+ 0 0 27 -2,-0.3 -26,-0.2 1,-0.2 187,-0.1 -0.411 78.4 69.4 -76.7 162.7 89.7 44.3 12.9 36 45 A G B > -e 9 0B 1 -28,-3.3 3,-1.5 -2,-0.1 -26,-0.7 -0.143 64.5-153.6 125.8 -39.1 88.6 42.5 16.0 37 46 A G T 3 S- 0 0 32 -3,-0.4 -28,-0.1 1,-0.3 -3,-0.0 -0.595 83.2 -1.7 71.9-112.9 85.7 40.2 15.0 38 47 A A T 3 S+ 0 0 50 -2,-0.6 14,-0.4 13,-0.0 2,-0.3 0.821 119.3 87.2 -76.5 -33.3 83.6 39.7 18.1 39 48 A V < + 0 0 4 -3,-1.5 2,-0.2 12,-0.1 15,-0.1 -0.543 51.9 133.7 -78.4 127.0 85.8 41.9 20.3 40 49 A G - 0 0 0 -2,-0.3 11,-3.3 13,-0.3 2,-0.4 -0.838 34.9-155.3-173.1 131.2 85.0 45.6 20.3 41 50 A T E -F 50 0C 17 -2,-0.2 2,-0.4 9,-0.2 9,-0.2 -0.959 13.4-161.6-117.9 132.5 84.6 48.4 22.9 42 51 A H E -F 49 0C 55 7,-3.0 7,-2.5 -2,-0.4 2,-0.8 -0.891 15.8-138.9-115.7 140.8 82.5 51.5 22.2 43 52 A A E +F 48 0C 82 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.874 40.9 155.3 -97.6 107.9 82.6 54.9 24.0 44 53 A L E > -F 47 0C 52 3,-1.7 3,-2.4 -2,-0.8 -2,-0.1 -0.994 60.5 -17.9-141.3 130.0 78.9 56.0 24.3 45 54 A A T 3 S- 0 0 66 -2,-0.4 299,-0.1 1,-0.3 3,-0.1 0.745 127.1 -48.2 50.0 34.0 77.1 58.3 26.7 46 55 A G T 3 S+ 0 0 22 1,-0.3 298,-1.9 297,-0.1 -1,-0.3 0.510 118.8 107.0 87.8 6.2 79.9 58.2 29.3 47 56 A Y E < -FG 44 343C 5 -3,-2.4 -3,-1.7 296,-0.2 2,-0.6 -0.757 65.4-138.8-110.9 158.6 80.1 54.4 29.2 48 57 A L E -F 43 0C 39 294,-2.7 2,-0.4 -2,-0.3 -5,-0.2 -0.938 34.1-170.8-109.4 101.2 82.6 51.9 27.8 49 58 A V E -F 42 0C 0 -7,-2.5 -7,-3.0 -2,-0.6 2,-0.5 -0.767 14.5-136.0 -99.8 140.5 80.3 49.2 26.3 50 59 A E E -F 41 0C 0 -2,-0.4 -9,-0.2 -9,-0.2 4,-0.1 -0.814 3.0-148.4 -99.9 129.3 81.5 45.8 25.0 51 60 A Q S S- 0 0 14 -11,-3.3 250,-0.2 -2,-0.5 -1,-0.1 0.952 82.2 -35.2 -53.6 -57.5 80.2 44.3 21.7 52 61 A G S S+ 0 0 20 -14,-0.4 -2,-0.1 1,-0.4 -13,-0.1 0.361 120.2 55.1-129.2 -88.8 80.5 40.8 23.0 53 62 A P + 0 0 31 0, 0.0 -1,-0.4 0, 0.0 -13,-0.3 -0.211 47.9 179.6 -60.2 143.1 83.2 39.6 25.3 54 63 A N - 0 0 18 1,-0.3 2,-0.3 -3,-0.1 164,-0.1 0.720 57.4 -1.2-112.9 -36.7 83.6 41.5 28.6 55 64 A S - 0 0 33 158,-0.1 2,-0.3 162,-0.0 -1,-0.3 -0.935 49.1-141.6-152.0 167.9 86.5 39.8 30.5 56 65 A F E -H 212 0D 13 156,-2.4 156,-2.8 -2,-0.3 2,-0.6 -0.989 32.4-111.3-134.8 144.5 89.1 37.1 30.7 57 66 A L E > -H 211 0D 60 -2,-0.3 2,-2.6 154,-0.2 3,-0.6 -0.681 29.6-131.3 -74.9 120.0 90.3 35.0 33.6 58 67 A D T 3 S+ 0 0 10 152,-2.7 151,-2.3 -2,-0.6 152,-0.4 -0.420 82.7 96.4 -74.2 70.2 93.8 36.2 34.4 59 68 A R T 3 + 0 0 164 -2,-2.6 -1,-0.2 150,-0.2 148,-0.1 0.301 52.9 96.9-140.3 1.9 95.2 32.6 34.6 60 69 A E <> - 0 0 32 -3,-0.6 4,-1.1 1,-0.1 3,-0.3 -0.893 54.5-157.4-105.3 121.8 96.6 31.9 31.1 61 70 A P H > S+ 0 0 82 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.855 92.5 60.1 -59.0 -38.6 100.3 32.4 30.4 62 71 A A H > S+ 0 0 18 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.851 105.6 46.0 -62.1 -39.3 99.8 32.9 26.7 63 72 A T H > S+ 0 0 8 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.730 114.0 50.1 -76.7 -23.8 97.6 35.9 27.2 64 73 A R H X S+ 0 0 57 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.911 110.8 48.5 -73.4 -46.8 100.1 37.3 29.7 65 74 A A H X S+ 0 0 61 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.820 112.1 50.1 -60.3 -34.4 103.0 36.7 27.2 66 75 A L H < S+ 0 0 14 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.871 110.9 48.4 -72.2 -39.3 100.9 38.4 24.5 67 76 A A H ><>S+ 0 0 2 -4,-1.3 5,-3.5 1,-0.2 6,-0.7 0.812 113.4 48.6 -69.1 -32.0 100.2 41.4 26.8 68 77 A A H ><5S+ 0 0 40 -4,-2.1 3,-1.9 3,-0.2 -2,-0.2 0.946 108.2 50.7 -72.4 -51.8 103.9 41.7 27.7 69 78 A A T 3<5S+ 0 0 70 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.292 117.4 44.3 -69.6 12.0 105.2 41.5 24.1 70 79 A L T < 5S- 0 0 17 -3,-0.5 -1,-0.3 -5,-0.1 -2,-0.2 0.208 113.8-114.4-140.5 7.0 102.7 44.3 23.3 71 80 A N T < 5S+ 0 0 146 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.907 80.6 118.2 55.8 52.6 103.3 46.5 26.4 72 81 A L > < + 0 0 6 -5,-3.5 3,-2.4 -8,-0.2 4,-0.4 0.488 34.4 99.7-121.4 -9.9 99.9 46.0 27.9 73 82 A E G > S+ 0 0 88 -6,-0.7 3,-0.6 1,-0.3 -5,-0.1 0.757 85.4 50.2 -54.3 -31.8 100.6 44.4 31.3 74 83 A G G 3 S+ 0 0 68 1,-0.2 -1,-0.3 -7,-0.2 -2,-0.1 0.504 105.3 58.1 -84.6 -5.9 100.3 47.6 33.2 75 84 A R G < S+ 0 0 106 -3,-2.4 140,-2.0 2,-0.0 -1,-0.2 0.387 79.0 113.1-104.2 1.2 96.9 48.4 31.6 76 85 A I E < -I 214 0D 21 -3,-0.6 2,-0.5 -4,-0.4 138,-0.3 -0.487 56.1-148.1 -73.0 142.7 95.3 45.2 32.8 77 86 A R E -I 213 0D 94 136,-2.7 136,-1.2 -2,-0.2 -2,-0.0 -0.927 11.6-121.1-131.1 119.5 92.5 45.7 35.3 78 87 A A E -I 212 0D 56 -2,-0.5 2,-1.8 134,-0.2 134,-0.2 -0.148 35.3-113.2 -33.2 129.2 91.1 43.9 38.3 79 88 A A - 0 0 24 132,-1.4 260,-0.2 1,-0.1 132,-0.2 -0.624 66.1-131.5 -63.5 84.9 87.5 43.0 37.9 80 89 A D - 0 0 65 -2,-1.8 -1,-0.1 258,-0.3 259,-0.1 0.663 21.2 -54.1 -67.5-146.1 87.2 45.4 40.8 81 90 A P S S+ 0 0 81 0, 0.0 256,-0.0 0, 0.0 235,-0.0 0.917 86.3 65.5 -77.8-112.0 85.7 45.7 44.1 82 91 A A S S+ 0 0 62 2,-0.1 2,-0.6 1,-0.1 233,-0.1 0.142 101.2 14.7 43.4-137.0 82.1 45.2 45.2 83 92 A A + 0 0 10 231,-0.2 -1,-0.1 1,-0.2 254,-0.0 -0.635 37.1 175.1 -79.1 116.5 80.8 41.7 44.8 84 93 A K S S+ 0 0 194 -2,-0.6 -1,-0.2 232,-0.1 -2,-0.1 0.415 70.2 104.4 -70.3 -10.5 83.1 38.8 44.2 85 94 A R - 0 0 129 -3,-0.1 232,-2.6 11,-0.0 233,-0.4 -0.325 58.0-164.7 -65.1 151.5 79.6 37.3 44.6 86 95 A R - 0 0 115 11,-0.5 11,-2.3 230,-0.2 2,-0.3 -0.935 11.0-139.1-131.2 160.7 77.6 36.0 41.7 87 96 A Y E -Jk 96 319E 43 231,-2.3 233,-2.2 -2,-0.3 2,-0.4 -0.880 10.9-161.6-125.2 151.2 73.9 35.2 41.7 88 97 A V E -Jk 95 320E 3 7,-2.3 7,-2.1 -2,-0.3 2,-0.9 -0.999 23.3-131.4-128.0 128.3 71.5 32.6 40.3 89 98 A Y E +J 94 0E 24 231,-2.1 2,-0.3 -2,-0.4 5,-0.2 -0.710 49.4 146.2 -77.4 106.8 67.8 33.2 39.9 90 99 A T E > +J 93 0E 2 3,-1.9 3,-0.8 -2,-0.9 -2,-0.1 -0.988 55.2 4.3-148.3 135.3 66.3 30.1 41.5 91 100 A R T 3 S- 0 0 113 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.964 129.8 -43.2 54.3 61.1 63.1 29.5 43.5 92 101 A G T 3 S+ 0 0 57 -3,-0.1 2,-0.3 1,-0.0 -1,-0.2 0.133 123.0 46.3 87.5 -20.4 61.5 33.0 43.3 93 102 A R E < S-J 90 0E 125 -3,-0.8 -3,-1.9 -5,-0.1 2,-0.4 -0.930 87.7 -84.9-147.7 167.5 64.5 35.2 44.0 94 103 A L E -J 89 0E 49 287,-0.3 2,-0.4 -2,-0.3 -5,-0.2 -0.670 48.0-162.3 -75.6 131.7 68.2 36.0 43.2 95 104 A R E -J 88 0E 18 -7,-2.1 -7,-2.3 -2,-0.4 2,-0.3 -0.972 19.4-118.1-128.1 132.2 70.4 33.8 45.3 96 105 A S E -J 87 0E 49 -2,-0.4 -9,-0.2 -9,-0.2 12,-0.2 -0.479 23.8-138.6 -66.6 122.1 74.1 34.1 46.2 97 106 A V - 0 0 27 -11,-2.3 -11,-0.5 -2,-0.3 -1,-0.1 -0.790 28.8-122.0 -84.8 117.1 76.2 31.2 44.9 98 107 A P - 0 0 27 0, 0.0 -1,-0.0 0, 0.0 6,-0.0 -0.180 12.9-152.0 -66.1 150.7 78.7 30.4 47.7 99 108 A A S S+ 0 0 93 1,-0.1 -2,-0.0 0, 0.0 -14,-0.0 0.523 73.9 49.3-100.1 -9.8 82.4 30.4 47.2 100 109 A S S > S- 0 0 51 1,-0.1 4,-2.7 0, 0.0 5,-0.2 -0.975 79.5-118.4-137.0 146.9 83.5 27.8 49.8 101 110 A P H > S+ 0 0 103 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.815 114.5 46.6 -49.0 -42.8 82.4 24.3 50.9 102 111 A P H > S+ 0 0 61 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.916 114.1 47.8 -69.6 -39.9 81.4 25.3 54.5 103 112 A A H > S+ 0 0 44 1,-0.2 4,-0.9 2,-0.2 3,-0.1 0.861 109.7 54.8 -63.2 -37.8 79.4 28.3 53.1 104 113 A F H < S+ 0 0 27 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.880 104.4 52.9 -62.5 -41.9 77.8 26.0 50.5 105 114 A L H < S+ 0 0 92 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.802 115.0 40.8 -65.9 -31.0 76.5 23.5 53.2 106 115 A A H < S+ 0 0 44 -4,-1.2 -1,-0.2 -3,-0.1 -2,-0.2 0.546 98.6 105.0 -91.9 -10.6 74.8 26.3 55.1 107 116 A S < - 0 0 20 -4,-0.9 3,-0.2 -3,-0.3 8,-0.1 -0.128 66.0-142.9 -68.4 163.1 73.5 28.1 52.0 108 117 A D S S+ 0 0 79 -12,-0.2 -1,-0.1 1,-0.1 -4,-0.1 0.139 70.8 111.5-109.5 16.7 69.9 28.1 50.7 109 118 A I S S+ 0 0 0 -5,-0.2 -1,-0.1 -13,-0.2 -14,-0.1 0.765 91.7 13.2 -61.3 -26.7 71.1 27.9 47.0 110 119 A L S S- 0 0 1 -3,-0.2 -1,-0.1 40,-0.0 5,-0.1 -0.976 97.5 -88.6-144.6 152.1 69.6 24.4 46.9 111 120 A P >> - 0 0 49 0, 0.0 4,-2.0 0, 0.0 3,-0.6 -0.176 49.4 -98.8 -59.3 159.4 67.3 22.4 49.3 112 121 A L H 3> S+ 0 0 102 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.835 121.0 46.2 -52.3 -48.8 69.0 20.4 52.2 113 122 A G H 3> S+ 0 0 53 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.830 112.4 52.3 -64.7 -33.8 68.9 16.9 50.5 114 123 A A H <> S+ 0 0 15 -3,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.841 109.9 48.3 -70.2 -36.6 70.3 18.4 47.3 115 124 A R H X S+ 0 0 40 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.906 112.1 49.0 -67.1 -44.7 73.1 20.1 49.2 116 125 A L H X S+ 0 0 98 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.793 105.8 58.9 -64.3 -30.2 73.9 16.8 51.0 117 126 A R H < S+ 0 0 93 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.869 100.1 55.4 -67.3 -38.6 73.8 15.1 47.6 118 127 A V H >< S+ 0 0 30 -4,-1.3 3,-1.7 1,-0.2 -1,-0.2 0.896 105.6 52.2 -59.5 -42.2 76.6 17.3 46.3 119 128 A A H >< S+ 0 0 45 -4,-1.3 3,-1.2 1,-0.3 -1,-0.2 0.810 99.3 65.6 -61.1 -31.0 78.7 16.2 49.3 120 129 A G G >< + 0 0 20 -4,-1.1 3,-1.9 1,-0.3 -1,-0.3 0.381 68.9 100.1 -73.1 3.7 77.9 12.6 48.1 121 130 A E G X + 0 0 4 -3,-1.7 3,-1.9 1,-0.3 -1,-0.3 0.739 66.1 76.0 -59.7 -23.0 79.9 13.3 45.0 122 131 A L G < S+ 0 0 60 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.1 0.819 96.0 47.0 -53.5 -33.0 82.6 11.3 46.9 123 132 A F G < S+ 0 0 170 -3,-1.9 -1,-0.3 19,-0.1 -2,-0.2 0.061 81.0 152.7-102.0 23.1 80.6 8.2 46.0 124 133 A S < - 0 0 4 -3,-1.9 18,-0.1 1,-0.1 3,-0.1 -0.296 45.6-120.5 -53.3 129.7 80.1 9.1 42.2 125 134 A R - 0 0 215 16,-0.4 -1,-0.1 1,-0.1 -2,-0.0 -0.356 41.9 -77.9 -70.3 154.6 79.7 6.0 40.1 126 135 A R - 0 0 200 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.129 53.3-100.6 -52.8 146.7 82.2 5.3 37.3 127 136 A A - 0 0 31 1,-0.1 2,-0.3 53,-0.1 -1,-0.1 -0.326 47.4 -87.6 -66.3 150.0 81.8 7.3 34.0 128 137 A P > - 0 0 53 0, 0.0 3,-1.4 0, 0.0 2,-0.2 -0.472 52.8-113.7 -64.0 124.7 80.1 5.5 31.1 129 138 A E T 3 S- 0 0 165 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.404 88.0 -6.3 -68.6 125.5 82.9 3.7 29.2 130 139 A G T 3 S+ 0 0 90 1,-0.2 2,-0.4 -2,-0.2 -1,-0.3 0.650 101.9 129.5 69.3 17.9 83.7 4.9 25.7 131 140 A V < - 0 0 89 -3,-1.4 2,-1.6 1,-0.0 -1,-0.2 -0.890 60.0-140.9-109.0 132.8 80.8 7.4 25.7 132 141 A D - 0 0 53 -2,-0.4 274,-0.1 -3,-0.1 -3,-0.1 -0.676 40.1-161.7 -83.7 80.7 81.0 11.0 24.9 133 142 A E - 0 0 19 -2,-1.6 36,-1.8 -5,-0.2 37,-0.5 -0.301 13.6-109.7 -76.1 151.7 78.6 11.9 27.7 134 143 A S B > -P 168 0F 14 34,-0.2 4,-2.5 35,-0.1 34,-0.2 -0.277 24.7-114.2 -71.6 160.7 76.6 15.2 27.9 135 144 A L H > S+ 0 0 0 32,-2.4 4,-2.4 29,-0.3 30,-0.2 0.882 120.0 51.0 -59.2 -41.9 77.3 17.9 30.5 136 145 A A H > S+ 0 0 0 28,-2.0 4,-2.3 31,-0.2 -1,-0.2 0.849 109.3 49.4 -67.2 -37.3 73.9 17.2 32.0 137 146 A A H > S+ 0 0 28 27,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.923 111.8 49.5 -64.2 -45.1 74.6 13.4 32.2 138 147 A F H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.898 111.3 51.4 -57.2 -44.2 77.9 14.2 33.9 139 148 A G H X>S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-1.3 0.915 107.6 48.7 -62.7 -49.5 76.1 16.5 36.3 140 149 A R H <5S+ 0 0 67 -4,-2.3 4,-0.2 3,-0.2 -1,-0.2 0.853 114.3 47.3 -61.4 -36.6 73.4 14.0 37.4 141 150 A R H <5S+ 0 0 39 -4,-1.7 -16,-0.4 -5,-0.2 -2,-0.2 0.924 128.1 22.9 -71.9 -45.7 76.1 11.3 38.1 142 151 A H H <5S+ 0 0 1 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.952 136.0 24.2 -82.2 -56.1 78.4 13.6 40.0 143 152 A L T <5S- 0 0 36 -4,-2.4 4,-0.3 -5,-0.3 -3,-0.2 0.660 100.1-116.8 -93.4 -22.5 76.4 16.4 41.4 144 153 A G >< - 0 0 3 -5,-1.3 4,-1.4 -4,-0.2 -1,-0.2 -0.249 40.3 -71.9 93.5 168.4 72.8 15.2 41.7 145 154 A H H > S+ 0 0 121 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.910 126.3 48.0 -68.8 -48.0 69.8 16.5 39.8 146 155 A R H >>S+ 0 0 87 1,-0.2 4,-2.4 2,-0.2 5,-0.5 0.919 110.8 51.5 -60.6 -45.5 69.2 19.9 41.5 147 156 A A H >>S+ 0 0 3 -4,-0.3 5,-2.4 1,-0.2 4,-1.1 0.868 116.7 39.6 -61.2 -39.5 72.9 20.9 41.4 148 157 A T H <>S+ 0 0 0 -4,-1.4 5,-1.5 3,-0.2 -1,-0.2 0.862 114.0 55.3 -76.7 -35.3 73.1 20.2 37.6 149 158 A Q H <5S+ 0 0 56 -4,-2.5 175,-0.4 -5,-0.2 -2,-0.2 0.830 129.1 11.7 -68.5 -34.9 69.6 21.7 37.0 150 159 A V H X5S+ 0 0 0 -4,-2.4 4,-0.7 -5,-0.2 -3,-0.2 0.806 135.2 32.7-110.1 -46.1 70.4 25.0 38.6 151 160 A L H XX>S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 5,-1.0 0.930 111.7 45.7 -51.2 -54.4 77.2 26.4 31.1 157 166 A T H 3<5S+ 0 0 15 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.832 108.1 59.7 -66.1 -29.6 74.9 29.3 30.1 158 167 A G H 3<5S+ 0 0 49 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.767 119.2 25.2 -66.3 -28.7 77.5 31.7 31.3 159 168 A I H <<5S+ 0 0 78 -4,-1.2 -2,-0.2 -3,-0.9 -3,-0.1 0.858 139.0 15.2-102.1 -52.9 80.2 30.4 28.9 160 169 A Y T <5S- 0 0 15 -4,-2.5 -3,-0.2 -5,-0.2 137,-0.2 0.629 78.9-139.3-103.4 -16.8 78.5 28.8 25.9 161 170 A A < + 0 0 5 -5,-1.0 196,-1.8 -4,-0.3 -4,-0.2 0.956 64.8 122.0 49.1 54.0 74.9 30.1 26.1 162 171 A G S S- 0 0 9 -6,-0.2 2,-0.6 194,-0.2 196,-0.2 -0.419 70.1 -66.3-127.9-162.0 73.9 26.6 25.1 163 172 A D >> - 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0 0 5 -5,-0.2 2,-0.3 -4,-0.2 -1,-0.3 -0.252 52.5-142.9 150.8 118.8 83.5 28.9 89.2 884 446 B V + 0 0 22 -3,-0.1 4,-0.3 -4,-0.1 3,-0.1 -0.703 68.5 45.0 -85.4 144.4 87.3 28.8 89.0 885 447 B G S > S- 0 0 36 -2,-0.3 4,-2.2 1,-0.1 3,-0.4 0.145 92.8 -79.1 98.8 150.9 88.9 31.8 87.3 886 448 B L H > S+ 0 0 24 -378,-0.2 4,-2.8 1,-0.2 5,-0.2 0.843 120.8 52.7 -54.3 -51.2 88.6 35.6 87.3 887 449 B N H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.898 113.5 44.2 -53.5 -46.9 85.4 36.0 85.2 888 450 B D H > S+ 0 0 37 -3,-0.4 4,-2.8 -4,-0.3 5,-0.2 0.923 113.1 50.9 -64.8 -47.5 83.4 33.6 87.3 889 451 B C H X S+ 0 0 6 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.909 112.1 47.1 -56.1 -46.9 84.6 35.0 90.6 890 452 B I H X S+ 0 0 8 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.923 114.6 45.1 -64.6 -47.1 83.7 38.6 89.5 891 453 B R H X S+ 0 0 62 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.928 114.6 48.0 -61.9 -47.7 80.2 37.7 88.2 892 454 B N H X S+ 0 0 26 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.850 110.7 52.2 -63.6 -36.5 79.4 35.5 91.3 893 455 B A H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.908 108.9 48.8 -65.1 -46.0 80.6 38.2 93.7 894 456 B A H X S+ 0 0 19 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.855 112.0 50.3 -63.1 -36.5 78.4 40.9 92.1 895 457 B Q H X S+ 0 0 115 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.858 111.8 46.6 -71.2 -38.2 75.4 38.6 92.2 896 458 B L H X S+ 0 0 28 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.922 111.9 51.4 -66.7 -46.4 76.0 37.8 95.9 897 459 B A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.910 111.4 47.1 -57.9 -46.6 76.5 41.4 96.8 898 460 B D H X S+ 0 0 53 -4,-2.0 4,-3.1 1,-0.2 5,-0.2 0.918 111.2 51.1 -60.4 -46.0 73.2 42.5 95.0 899 461 B A H X S+ 0 0 65 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.765 109.8 51.5 -63.2 -27.3 71.3 39.6 96.7 900 462 B L H < S+ 0 0 11 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.864 113.1 43.7 -76.9 -39.4 72.7 40.8 100.1 901 463 B V H >< S+ 0 0 34 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.903 115.5 48.0 -70.4 -44.4 71.5 44.4 99.4 902 464 B A H 3< S+ 0 0 89 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.837 115.2 45.0 -66.2 -35.1 68.1 43.3 98.1 903 465 B G T 3< 0 0 65 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.078 360.0 360.0 -97.6 22.5 67.5 41.0 101.0 904 466 B N < 0 0 133 -3,-1.2 -3,-0.1 -450,-0.0 -4,-0.0 -0.334 360.0 360.0 -60.6 360.0 68.7 43.5 103.6