==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-FEB-00 1C7I . COMPND 2 MOLECULE: PROTEIN (PARA-NITROBENZYL ESTERASE); . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR B.SPILLER,A.GERSHENSON,F.ARNOLD,R.STEVENS . 483 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19587.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 6.4 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 29 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 2 1 2 0 1 0 2 0 0 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 3 1 1 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 PARALLEL BRIDGES PER LADDER . 2 0 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 0 0 0 1 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 T 0 0 165 0, 0.0 15,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 9.8 19.0 39.9 23.6 2 3 A H - 0 0 121 2,-0.1 12,-0.1 13,-0.0 14,-0.0 0.531 360.0-131.8 -82.6 -0.8 16.1 42.3 22.9 3 4 A Q + 0 0 32 1,-0.2 11,-2.5 10,-0.1 2,-0.6 0.831 44.6 159.7 58.9 44.3 14.0 40.2 25.4 4 5 A I E -A 13 0A 61 9,-0.2 2,-0.4 7,-0.1 9,-0.2 -0.854 17.1-173.8 -95.4 126.3 10.8 39.5 23.6 5 6 A V E -A 12 0A 14 7,-3.0 7,-2.7 -2,-0.6 2,-0.6 -0.976 20.4-135.4-124.9 136.5 9.0 36.6 25.1 6 7 A T E -A 11 0A 80 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.807 23.0-172.8 -93.9 118.5 5.9 34.8 23.9 7 8 A T E > -A 10 0A 6 3,-2.4 3,-1.1 -2,-0.6 164,-0.1 -0.548 45.2 -95.4 -98.5 171.1 3.4 34.0 26.6 8 9 A Q T 3 S+ 0 0 89 1,-0.3 3,-0.1 -2,-0.2 38,-0.1 0.628 127.4 41.7 -64.4 -10.3 0.2 32.0 26.0 9 10 A Y T 3 S- 0 0 37 1,-0.4 38,-2.8 18,-0.1 -1,-0.3 0.463 127.8 -55.7-114.6 -5.3 -1.7 35.2 25.5 10 11 A G E < -A 7 0A 9 -3,-1.1 -3,-2.4 36,-0.2 -1,-0.4 -0.801 66.5 -54.3 148.6 170.6 0.8 37.3 23.5 11 12 A K E -Ab 6 50A 86 38,-0.7 40,-2.2 36,-0.3 2,-0.4 -0.498 41.5-167.5 -79.8 144.7 4.3 38.7 23.2 12 13 A V E -Ab 5 51A 0 -7,-2.7 -7,-3.0 38,-0.2 2,-0.5 -0.973 10.1-146.0-130.2 144.7 5.8 40.8 26.0 13 14 A K E +Ab 4 52A 85 38,-2.5 40,-1.8 -2,-0.4 -9,-0.2 -0.945 21.7 177.1-118.3 117.4 9.0 42.9 25.7 14 15 A G - 0 0 6 -11,-2.5 2,-0.3 -2,-0.5 9,-0.2 0.072 17.8-125.2 -96.0-152.4 11.2 43.3 28.7 15 16 A T E -C 22 0B 50 7,-2.1 7,-3.3 38,-0.2 2,-0.5 -0.946 10.3-124.9-152.2 167.3 14.6 45.0 29.5 16 17 A T E +C 21 0B 54 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.984 27.2 172.5-126.4 124.9 18.0 44.2 30.9 17 18 A E E > -C 20 0B 84 3,-2.5 3,-1.3 -2,-0.5 -2,-0.0 -0.997 66.9 -19.9-134.6 130.0 19.6 46.1 33.8 18 19 A N T 3 S- 0 0 166 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.826 129.1 -45.7 44.2 43.3 22.7 45.3 35.7 19 20 A G T 3 S+ 0 0 38 1,-0.2 71,-2.8 70,-0.1 2,-0.4 0.730 117.9 107.4 77.4 22.2 22.7 41.7 34.6 20 21 A V E < -CD 17 89B 4 -3,-1.3 -3,-2.5 69,-0.3 2,-0.3 -0.974 60.1-143.0-137.8 120.7 19.0 41.1 35.3 21 22 A H E -CD 16 88B 24 67,-3.4 67,-2.9 -2,-0.4 2,-0.4 -0.648 26.5-167.1 -79.4 136.3 16.3 40.7 32.7 22 23 A K E +CD 15 87B 13 -7,-3.3 -7,-2.1 -2,-0.3 2,-0.4 -0.992 21.4 179.4-135.8 137.2 13.1 42.3 33.8 23 24 A W E - D 0 86B 4 63,-2.1 63,-2.9 -2,-0.4 2,-0.4 -0.986 16.2-172.8-133.0 117.4 9.4 42.1 32.6 24 25 A K E +m 54 0C 35 29,-2.6 31,-0.7 -2,-0.4 61,-0.2 -0.902 57.5 19.8-118.4 143.3 6.9 44.2 34.6 25 26 A G E + 0 0 10 -2,-0.4 -1,-0.2 1,-0.2 60,-0.2 0.884 67.2 169.1 74.4 42.3 3.1 44.3 34.3 26 27 A I E - D 0 84B 0 58,-2.6 58,-2.4 -3,-0.2 -1,-0.2 -0.766 34.2-125.7 -89.4 123.5 2.3 41.1 32.5 27 28 A P E + D 0 83B 23 0, 0.0 56,-0.2 0, 0.0 -18,-0.1 -0.454 33.6 170.0 -67.3 133.6 -1.4 40.3 32.5 28 29 A Y + 0 0 6 54,-1.6 2,-0.3 1,-0.2 55,-0.1 0.443 65.5 17.3-120.8 -5.7 -2.3 36.9 33.9 29 30 A A S S- 0 0 5 53,-0.8 -1,-0.2 14,-0.2 16,-0.1 -0.964 89.5 -81.8-156.1 168.2 -6.0 37.2 34.1 30 31 A K - 0 0 46 12,-2.9 12,-0.3 -2,-0.3 52,-0.0 -0.586 61.8 -93.2 -76.2 134.8 -9.0 39.3 32.8 31 32 A P - 0 0 41 0, 0.0 2,-2.6 0, 0.0 49,-0.2 -0.261 35.2-133.3 -48.8 119.4 -9.4 42.5 34.8 32 33 A P + 0 0 4 0, 0.0 2,-0.3 0, 0.0 6,-0.2 -0.301 58.1 138.3 -76.5 61.0 -11.9 41.6 37.6 33 34 A V > - 0 0 59 -2,-2.6 3,-2.4 4,-0.1 4,-0.1 -0.713 59.1 -22.4-107.4 157.4 -14.0 44.7 37.0 34 35 A G G > S+ 0 0 24 1,-0.3 3,-2.2 -2,-0.3 214,-0.1 -0.227 136.2 12.9 52.1-121.8 -17.7 45.2 36.8 35 36 A Q G 3 S+ 0 0 136 1,-0.3 -1,-0.3 212,-0.1 213,-0.1 0.642 128.4 58.4 -60.7 -16.3 -19.6 42.0 36.0 36 37 A W G X S+ 0 0 91 -3,-2.4 3,-1.3 -5,-0.2 -1,-0.3 0.361 79.6 114.9 -95.9 5.1 -16.4 40.0 36.6 37 38 A R T < S+ 0 0 11 -3,-2.2 -4,-0.1 1,-0.3 3,-0.1 -0.550 82.8 14.8 -74.8 137.5 -16.2 41.4 40.2 38 39 A F T 3 S+ 0 0 2 102,-0.4 115,-1.8 1,-0.3 2,-0.3 0.620 107.6 112.1 71.4 14.4 -16.7 38.6 42.8 39 40 A K S < S- 0 0 59 -3,-1.3 -1,-0.3 113,-0.2 113,-0.1 -0.860 78.7 -90.3-117.8 152.7 -16.1 36.0 40.1 40 41 A A - 0 0 33 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.185 56.8 -90.0 -56.2 150.7 -13.2 33.6 39.6 41 42 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.413 43.9-158.4 -66.8 137.9 -10.3 34.9 37.5 42 43 A E - 0 0 91 -12,-0.3 -12,-2.9 -2,-0.1 -14,-0.0 -0.766 30.9 -86.3-112.8 160.6 -10.6 34.2 33.8 43 44 A P - 0 0 69 0, 0.0 -14,-0.2 0, 0.0 2,-0.1 -0.292 51.1-109.1 -62.3 150.6 -7.8 34.2 31.2 44 45 A P - 0 0 12 0, 0.0 -14,-0.1 0, 0.0 2,-0.1 -0.480 39.3 -91.7 -80.0 157.2 -7.0 37.6 29.7 45 46 A E - 0 0 145 -2,-0.1 -36,-0.1 1,-0.1 -16,-0.0 -0.460 51.2-109.6 -66.4 137.1 -8.0 38.4 26.1 46 47 A V - 0 0 100 -2,-0.1 2,-0.4 -38,-0.1 -36,-0.2 -0.246 28.6-155.7 -66.8 155.8 -5.1 37.6 23.8 47 48 A W - 0 0 37 -38,-2.8 -36,-0.3 2,-0.1 4,-0.1 -0.993 12.1-165.3-133.3 138.9 -3.1 40.3 22.1 48 49 A E + 0 0 187 -2,-0.4 -38,-0.1 -38,-0.1 -1,-0.1 0.423 69.4 76.2-105.8 1.5 -1.1 39.9 18.9 49 50 A D S S- 0 0 100 -38,-0.1 -38,-0.7 1,-0.0 2,-0.5 0.192 98.7 -82.5 -85.6-149.2 1.0 43.1 19.0 50 51 A V E -b 11 0A 70 -40,-0.1 2,-0.2 -37,-0.0 -38,-0.2 -0.907 39.3-143.9-128.0 104.5 3.9 43.5 21.4 51 52 A L E -b 12 0A 51 -40,-2.2 -38,-2.5 -2,-0.5 2,-0.9 -0.458 15.3-127.4 -70.1 131.3 3.1 44.4 24.9 52 53 A D E -b 13 0A 97 -2,-0.2 2,-0.5 -40,-0.2 3,-0.4 -0.708 25.5-175.0 -80.0 108.0 5.5 46.8 26.6 53 54 A A + 0 0 0 -40,-1.8 -29,-2.6 -2,-0.9 -38,-0.2 -0.408 54.1 99.9-102.2 55.6 6.4 45.0 29.9 54 55 A T B S+m 24 0C 57 -2,-0.5 2,-0.4 -31,-0.2 -1,-0.2 0.416 71.7 60.5-118.2 -0.8 8.6 47.8 31.4 55 56 A V S S- 0 0 89 -31,-0.7 -1,-0.1 -3,-0.4 2,-0.0 -0.986 83.5-111.6-131.7 139.9 6.1 49.4 33.8 56 57 A Y - 0 0 54 -2,-0.4 3,-0.1 1,-0.1 -32,-0.1 -0.322 32.3-121.0 -65.8 146.3 4.2 47.9 36.7 57 58 A G - 0 0 10 1,-0.2 24,-0.1 24,-0.1 -1,-0.1 -0.247 44.4 -74.7 -78.3 174.6 0.5 47.4 36.5 58 59 A P - 0 0 11 0, 0.0 2,-0.3 0, 0.0 19,-0.2 -0.211 47.3-121.8 -66.0 162.8 -1.9 49.1 39.0 59 60 A V B -n 77 0D 0 17,-2.5 19,-2.5 -3,-0.1 21,-0.1 -0.730 35.8 -87.9-104.6 157.0 -2.2 47.8 42.5 60 61 A C - 0 0 2 50,-0.3 19,-0.2 -2,-0.3 50,-0.1 -0.361 54.5 -95.5 -63.8 138.4 -5.5 46.6 44.1 61 62 A P + 0 0 10 0, 0.0 79,-0.2 0, 0.0 76,-0.2 -0.281 62.4 145.8 -57.1 138.9 -7.5 49.4 45.8 62 63 A Q - 0 0 4 -3,-0.1 47,-0.1 76,-0.1 193,-0.1 -0.975 56.0 -77.9-164.9 163.0 -6.8 49.7 49.5 63 64 A P > - 0 0 25 0, 0.0 3,-0.6 0, 0.0 4,-0.4 -0.402 51.1-113.4 -66.5 159.2 -6.6 52.3 52.2 64 65 A S T 3> S+ 0 0 49 1,-0.2 4,-1.8 2,-0.1 5,-0.2 0.310 82.6 117.3 -79.5 12.6 -3.2 54.1 52.0 65 66 A D T 34 S+ 0 0 97 1,-0.2 -1,-0.2 2,-0.2 44,-0.1 0.866 90.8 18.6 -44.8 -48.5 -2.0 52.7 55.3 66 67 A L T X> S+ 0 0 35 -3,-0.6 4,-2.8 2,-0.1 3,-1.7 0.840 118.7 61.0 -95.2 -39.6 0.8 50.8 53.7 67 68 A L H 3> S+ 0 0 0 -4,-0.4 4,-2.5 1,-0.3 -2,-0.2 0.912 99.7 57.0 -54.9 -47.0 1.3 52.4 50.3 68 69 A S H 3< S+ 0 0 67 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.1 0.556 117.3 36.1 -64.1 -7.1 2.1 55.8 51.8 69 70 A L H <4 S+ 0 0 114 -3,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.714 116.7 48.2-112.6 -37.1 5.0 54.1 53.6 70 71 A S H < S+ 0 0 6 -4,-2.8 2,-0.3 2,-0.0 -2,-0.2 0.795 112.6 50.3 -76.4 -31.0 6.2 51.5 51.2 71 72 A Y < - 0 0 30 -4,-2.5 3,-0.2 -5,-0.3 43,-0.0 -0.831 59.8-155.2-112.1 147.7 6.4 53.9 48.2 72 73 A K S S+ 0 0 194 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.604 99.3 40.1 -86.9 -9.4 8.0 57.2 48.0 73 74 A E S S- 0 0 130 -6,-0.1 -1,-0.3 -3,-0.0 -5,-0.0 -0.928 97.8-119.0-140.4 101.8 5.5 57.9 45.2 74 75 A L - 0 0 101 -2,-0.4 3,-0.1 -3,-0.2 -6,-0.1 -0.191 34.1-133.7 -48.0 120.6 1.9 56.5 45.7 75 76 A P - 0 0 31 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.298 26.2 -90.0 -75.8 162.6 1.2 54.0 42.9 76 77 A R - 0 0 153 -19,-0.1 -17,-2.5 -15,-0.0 2,-0.3 -0.453 41.4-146.4 -73.9 145.9 -2.0 53.9 40.8 77 78 A Q B +n 59 0D 69 -19,-0.2 2,-0.3 -2,-0.1 -17,-0.2 -0.878 29.0 142.9-115.3 149.0 -4.8 51.8 42.1 78 79 A S - 0 0 44 -19,-2.5 -45,-0.0 -2,-0.3 -2,-0.0 -0.883 58.5-117.8-178.4 146.2 -7.5 49.8 40.2 79 80 A E S S+ 0 0 19 -2,-0.3 2,-1.9 1,-0.2 3,-0.3 0.736 107.0 83.3 -61.7 -19.2 -9.4 46.6 40.4 80 81 A D + 0 0 47 1,-0.2 -1,-0.2 -49,-0.2 -50,-0.0 -0.655 59.0 117.2 -84.2 82.6 -7.5 46.1 37.2 81 82 A C + 0 0 0 -2,-1.9 2,-1.8 -24,-0.1 53,-0.2 0.343 22.0 122.1-132.5 2.8 -4.5 44.8 39.1 82 83 A L + 0 0 2 -3,-0.3 -54,-1.6 -23,-0.1 -53,-0.8 -0.496 40.7 127.8 -78.6 84.9 -3.9 41.2 38.1 83 84 A Y E -D 27 0B 34 -2,-1.8 51,-1.4 -56,-0.2 2,-0.3 -0.948 43.0-148.3-136.1 154.7 -0.3 41.3 36.8 84 85 A V E -DE 26 133B 0 -58,-2.4 -58,-2.6 -2,-0.3 2,-0.4 -0.833 8.4-151.7-118.8 158.1 2.9 39.4 37.4 85 86 A N E - 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0 0 11 -6,-1.9 -1,-0.2 -30,-0.0 2,-0.1 -0.833 40.2-129.6-103.5 135.8 18.8 50.8 61.0 419 420 A E - 0 0 165 -2,-0.4 2,-1.5 -3,-0.1 5,-0.2 -0.466 27.8-105.7 -81.0 153.9 22.1 51.4 59.2 420 421 A I + 0 0 62 -2,-0.1 2,-0.1 4,-0.1 -1,-0.1 -0.614 51.7 172.5 -81.9 87.8 23.5 48.9 56.8 421 422 A T > - 0 0 67 -2,-1.5 4,-2.6 1,-0.1 5,-0.2 -0.372 50.7-104.5 -88.0 171.2 26.4 47.5 58.8 422 423 A D H > S+ 0 0 122 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.805 125.3 59.7 -65.7 -25.6 28.6 44.5 57.8 423 424 A E H > S+ 0 0 110 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.945 107.7 43.3 -65.5 -47.5 26.5 42.7 60.4 424 425 A V H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.934 114.1 49.3 -63.9 -48.0 23.3 43.4 58.5 425 426 A K H X S+ 0 0 108 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.841 111.6 51.2 -61.9 -32.2 24.8 42.7 55.1 426 427 A Q H X S+ 0 0 102 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.889 109.3 48.1 -72.6 -40.2 26.2 39.4 56.5 427 428 A L H X S+ 0 0 4 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.913 112.1 50.5 -66.5 -40.4 22.8 38.3 57.9 428 429 A S H X S+ 0 0 7 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.903 109.3 51.4 -62.9 -42.0 21.1 39.1 54.6 429 430 A H H X S+ 0 0 106 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.915 111.1 47.3 -61.6 -44.7 23.7 37.1 52.7 430 431 A T H X S+ 0 0 6 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.891 115.0 46.0 -65.3 -40.2 23.2 34.1 54.9 431 432 A I H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.948 114.4 45.4 -69.6 -47.5 19.4 34.3 54.6 432 433 A Q H X S+ 0 0 16 -4,-3.0 4,-2.3 -28,-0.3 5,-0.2 0.883 112.9 53.3 -61.7 -37.9 19.3 34.9 50.8 433 434 A S H X S+ 0 0 34 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.892 111.9 43.7 -63.7 -41.6 21.8 32.1 50.5 434 435 A A H X S+ 0 0 3 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.888 113.5 50.7 -72.0 -39.9 19.6 29.7 52.5 435 436 A W H X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.896 115.4 42.0 -64.7 -43.0 16.4 30.7 50.7 436 437 A T H X S+ 0 0 4 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.806 113.3 51.6 -76.2 -31.1 17.8 30.2 47.3 437 438 A T H X S+ 0 0 33 -4,-1.7 4,-2.8 -5,-0.2 6,-0.6 0.876 110.2 51.1 -71.7 -35.3 19.6 27.0 48.1 438 439 A F H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.937 108.4 50.9 -64.7 -45.8 16.3 25.7 49.5 439 440 A A H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.837 116.5 42.9 -61.1 -30.8 14.6 26.7 46.2 440 441 A K H < S+ 0 0 86 -4,-1.4 -2,-0.2 3,-0.1 -1,-0.2 0.857 136.2 7.9 -83.0 -36.8 17.3 24.8 44.4 441 442 A T H < S- 0 0 94 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.566 90.5-113.8-124.5 -14.7 17.6 21.7 46.5 442 443 A G S < S+ 0 0 7 -4,-2.9 -4,-0.2 -5,-0.5 -141,-0.1 0.612 92.7 91.4 86.0 10.2 14.8 21.6 49.1 443 444 A N - 0 0 58 -6,-0.6 -2,-0.2 2,-0.1 -1,-0.2 -0.982 62.9-155.9-138.9 122.7 17.4 21.9 51.9 444 445 A P + 0 0 0 0, 0.0 -6,-0.2 0, 0.0 -7,-0.1 0.344 49.9 129.8 -83.2 8.5 18.4 25.4 53.2 445 446 A S + 0 0 28 6,-0.2 2,-0.3 -8,-0.1 5,-0.2 -0.408 28.2 163.5 -66.8 135.9 21.9 24.3 54.5 446 447 A T B > -Q 449 0G 24 3,-2.8 3,-1.9 -2,-0.1 -12,-0.1 -0.915 57.6 -87.8-144.2 167.5 24.8 26.5 53.3 447 448 A E T 3 S+ 0 0 206 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.825 130.2 53.7 -47.8 -32.1 28.4 27.0 54.4 448 449 A A T 3 S+ 0 0 41 1,-0.2 2,-0.3 -18,-0.1 -1,-0.3 0.765 122.5 16.9 -75.4 -26.9 27.0 29.6 56.8 449 450 A V B < -Q 446 0G 10 -3,-1.9 -3,-2.8 -5,-0.1 2,-1.0 -0.958 54.6-151.6-153.0 130.8 24.5 27.2 58.4 450 451 A N - 0 0 129 -2,-0.3 -5,-0.1 -5,-0.2 -3,-0.1 -0.830 32.4-149.8 -99.9 95.3 23.9 23.4 58.6 451 452 A W - 0 0 7 -2,-1.0 2,-0.2 1,-0.0 -6,-0.2 -0.515 4.1-141.5 -72.1 117.8 20.2 23.4 59.0 452 453 A P - 0 0 17 0, 0.0 -71,-0.4 0, 0.0 2,-0.1 -0.546 26.1-104.4 -80.0 144.6 18.8 20.4 61.0 453 454 A A - 0 0 47 -2,-0.2 2,-0.5 -73,-0.1 7,-0.4 -0.447 34.0-126.9 -68.3 136.4 15.6 18.8 59.9 454 455 A Y + 0 0 10 -75,-3.2 -75,-0.3 -2,-0.1 2,-0.3 -0.752 41.9 152.5 -90.5 123.6 12.6 19.7 62.1 455 456 A H >> - 0 0 62 -2,-0.5 4,-3.1 -77,-0.1 3,-1.2 -0.981 54.7-105.7-146.2 155.0 10.6 16.8 63.5 456 457 A E T 34 S+ 0 0 80 -2,-0.3 -85,-0.1 -85,-0.3 -84,-0.0 0.652 110.1 66.1 -57.3 -19.5 8.4 16.4 66.6 457 458 A E T 34 S+ 0 0 180 1,-0.1 -1,-0.2 3,-0.0 -3,-0.0 0.858 127.5 1.1 -72.3 -36.0 11.0 14.3 68.5 458 459 A S T <4 S- 0 0 35 -3,-1.2 15,-0.6 2,-0.1 -2,-0.2 0.600 76.5-152.3-125.2 -25.2 13.6 17.0 68.8 459 460 A R < - 0 0 20 -4,-3.1 14,-1.8 13,-0.2 2,-0.2 0.888 20.3-167.0 49.4 49.7 12.2 20.2 67.2 460 461 A E E - L 0 472B 58 -7,-0.4 -79,-0.5 12,-0.2 2,-0.4 -0.512 5.1-167.1 -70.0 132.5 15.6 21.6 66.3 461 462 A T E - L 0 471B 7 10,-2.8 10,-2.8 -2,-0.2 2,-0.4 -0.977 17.9-133.7-129.8 134.1 15.3 25.3 65.2 462 463 A V E -kL 382 470B 0 -81,-2.5 -79,-2.0 -2,-0.4 2,-0.7 -0.709 17.0-147.4 -86.4 131.0 17.7 27.6 63.5 463 464 A I E -kL 383 469B 2 6,-3.6 6,-1.5 -2,-0.4 2,-0.5 -0.879 8.9-151.3-102.0 113.6 18.0 31.1 65.1 464 465 A L E +k 384 0B 4 -81,-2.2 -79,-2.3 -2,-0.7 -78,-1.0 -0.745 44.8 110.7 -87.9 123.5 18.7 33.8 62.5 465 466 A D S S- 0 0 55 -2,-0.5 -2,-0.0 -80,-0.2 -81,-0.0 -0.939 87.1 -61.3-172.3-179.9 20.7 36.7 63.9 466 467 A S S S+ 0 0 32 -2,-0.3 2,-0.5 1,-0.2 -2,-0.0 0.836 133.7 36.0 -47.5 -35.2 24.1 38.3 63.7 467 468 A E S S- 0 0 149 -3,-0.0 2,-0.3 -40,-0.0 -1,-0.2 -0.990 92.8-132.0-121.7 125.6 25.4 35.0 65.0 468 469 A I + 0 0 50 -2,-0.5 2,-0.3 -20,-0.1 -4,-0.2 -0.612 34.6 167.2 -79.5 134.9 23.6 31.9 63.8 469 470 A T E -L 463 0B 72 -6,-1.5 -6,-3.6 -2,-0.3 2,-0.4 -0.914 28.2-131.7-140.9 167.8 22.6 29.4 66.5 470 471 A I E -L 462 0B 74 -2,-0.3 2,-0.4 -8,-0.2 -8,-0.2 -0.987 15.9-166.1-126.2 131.9 20.4 26.3 66.9 471 472 A E E -L 461 0B 64 -10,-2.8 -10,-2.8 -2,-0.4 2,-0.6 -0.958 15.6-137.3-119.3 136.6 17.9 25.7 69.7 472 473 A N E S-L 460 0B 106 -2,-0.4 -12,-0.2 1,-0.2 -13,-0.2 -0.835 82.7 -17.4 -97.0 122.0 16.3 22.3 70.5 473 474 A D S > S- 0 0 34 -14,-1.8 3,-0.6 -15,-0.6 -1,-0.2 0.942 86.9-149.4 51.1 57.9 12.6 22.5 71.3 474 475 A P T 3 S+ 0 0 16 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 -0.229 73.1 10.6 -58.2 143.2 12.7 26.3 72.0 475 476 A E T 3> S+ 0 0 77 3,-0.1 4,-2.5 1,-0.1 5,-0.2 0.922 76.1 171.3 51.9 51.7 10.1 27.6 74.5 476 477 A S H <> S+ 0 0 41 -3,-0.6 4,-2.9 1,-0.2 5,-0.3 0.898 71.0 55.1 -56.0 -47.1 9.2 24.0 75.6 477 478 A E H > S+ 0 0 155 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.952 111.0 42.9 -51.9 -57.8 7.1 25.3 78.5 478 479 A K H > S+ 0 0 30 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.922 113.0 53.2 -57.1 -47.8 4.9 27.5 76.4 479 480 A R H X S+ 0 0 47 -4,-2.5 4,-2.1 1,-0.3 -1,-0.2 0.948 109.9 47.0 -53.2 -52.9 4.6 24.8 73.7 480 481 A Q H < S+ 0 0 131 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.829 114.4 49.8 -59.9 -30.5 3.5 22.2 76.2 481 482 A K H < S+ 0 0 100 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.932 114.8 41.1 -72.6 -47.3 1.1 24.8 77.6 482 483 A L H < 0 0 0 -4,-3.4 -2,-0.2 -5,-0.1 -1,-0.2 0.650 360.0 360.0 -76.7 -16.6 -0.4 25.8 74.2 483 484 A F < 0 0 100 -4,-2.1 -3,-0.2 -5,-0.3 -4,-0.1 0.495 360.0 360.0-121.6 360.0 -0.5 22.1 73.0