==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 15-NOV-11 3VKF . COMPND 2 MOLECULE: NEUROLIGIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.TANAKA,N.MIYAZAKI,T.NOGI,K.IWASAKI,J.TAKAGI . 1441 8 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56407.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 973 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 224 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.0 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 . 146 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 137 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.7 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 6 6 4 1 2 1 3 4 2 1 1 2 2 0 0 0 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 4 2 5 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 . 7 2 5 11 2 8 3 3 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 2 1 0 0 0 0 1 0 0 1 2 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 52 A D 0 0 185 0, 0.0 2,-1.7 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 41.7 -6.6 14.0 78.0 2 53 A P + 0 0 22 0, 0.0 11,-2.6 0, 0.0 2,-0.4 -0.525 360.0 164.9 -82.7 85.4 -8.6 12.1 75.3 3 54 A L E +A 12 0A 82 -2,-1.7 2,-0.4 9,-0.2 9,-0.2 -0.814 9.4 179.1 -92.7 136.3 -10.4 9.4 77.2 4 55 A V E -A 11 0A 24 7,-2.0 7,-2.5 -2,-0.4 2,-0.8 -0.993 19.7-143.9-137.0 133.2 -13.3 7.6 75.5 5 56 A T E -A 10 0A 75 -2,-0.4 5,-0.2 5,-0.2 2,-0.1 -0.835 21.2-175.3-103.3 101.7 -15.3 4.8 77.1 6 57 A T E > -A 9 0A 7 3,-1.5 3,-1.3 -2,-0.8 207,-0.1 -0.258 46.9 -91.3 -79.3 175.2 -16.4 2.1 74.6 7 58 A N T 3 S+ 0 0 103 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.662 128.0 48.6 -59.9 -17.5 -18.6 -0.9 75.5 8 59 A F T 3 S- 0 0 32 1,-0.4 45,-2.4 44,-0.1 -1,-0.2 0.460 125.3 -69.4-105.9 -4.6 -15.5 -2.8 76.3 9 60 A G E < -A 6 0A 13 -3,-1.3 -3,-1.5 43,-0.2 -1,-0.4 -0.636 65.2 -48.3 133.4 167.1 -13.7 -0.3 78.6 10 61 A K E -Ab 5 56A 81 45,-0.7 47,-1.5 43,-0.2 2,-0.3 -0.416 47.2-167.9 -70.3 140.8 -11.9 3.0 78.5 11 62 A I E -Ab 4 57A 0 -7,-2.5 -7,-2.0 45,-0.2 2,-0.6 -0.969 13.4-138.5-127.5 151.0 -9.2 3.8 76.0 12 63 A R E -Ab 3 58A 79 45,-2.4 47,-0.9 -2,-0.3 -9,-0.2 -0.930 19.2-161.5-113.0 116.6 -6.7 6.6 75.9 13 64 A G - 0 0 4 -11,-2.6 2,-0.5 -2,-0.6 16,-0.2 -0.223 15.6-123.6 -83.9 176.3 -5.9 8.4 72.6 14 65 A I E -C 28 0B 74 14,-1.3 14,-2.5 45,-0.4 2,-0.2 -0.992 20.5-131.8-124.9 121.9 -3.0 10.6 71.5 15 66 A K E -C 27 0B 125 -2,-0.5 2,-0.4 12,-0.3 12,-0.2 -0.504 22.2-160.2 -68.5 139.5 -3.7 14.1 70.2 16 67 A K E -C 26 0B 90 10,-2.1 10,-2.3 -2,-0.2 2,-0.3 -0.988 6.2-147.6-128.5 118.1 -1.8 14.7 66.9 17 68 A E - 0 0 128 -2,-0.4 2,-0.4 8,-0.2 7,-0.1 -0.661 19.7-132.8 -81.7 141.7 -1.1 18.3 65.7 18 69 A L - 0 0 15 -2,-0.3 2,-1.2 5,-0.2 -1,-0.0 -0.792 3.9-134.5-102.0 142.1 -1.0 18.7 61.9 19 70 A N + 0 0 139 -2,-0.4 2,-0.3 5,-0.1 3,-0.1 -0.489 69.0 97.4 -95.6 63.3 1.7 20.6 59.9 20 71 A N S S- 0 0 45 -2,-1.2 -2,-0.1 3,-0.3 458,-0.1 -0.914 74.5-126.3-149.7 126.6 -0.4 22.6 57.5 21 72 A E S S+ 0 0 177 -2,-0.3 -1,-0.1 1,-0.1 -3,-0.0 0.791 108.4 34.1 -23.8 -57.5 -1.6 26.3 57.8 22 73 A I S S+ 0 0 126 455,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.993 95.4 82.9 -69.0 -81.3 -5.2 25.2 57.2 23 74 A L - 0 0 15 1,-0.1 -3,-0.3 454,-0.1 -5,-0.2 0.232 64.1-140.3 -44.0 141.9 -6.0 21.7 58.8 24 75 A G - 0 0 34 144,-0.6 88,-0.1 1,-0.2 -1,-0.1 -0.561 35.0 -63.9-101.2 169.1 -6.8 21.4 62.5 25 76 A P - 0 0 28 0, 0.0 86,-2.5 0, 0.0 2,-0.4 0.129 40.0-153.0 -56.5 159.0 -5.8 18.8 65.2 26 77 A V E -CD 16 110B 0 -10,-2.3 -10,-2.1 84,-0.3 2,-0.7 -0.982 8.6-147.3-140.0 119.4 -6.7 15.1 65.2 27 78 A I E -CD 15 109B 28 82,-2.9 82,-2.4 -2,-0.4 2,-0.6 -0.806 24.9-160.3 -86.1 114.7 -7.1 12.8 68.2 28 79 A Q E -CD 14 108B 25 -14,-2.5 -14,-1.3 -2,-0.7 2,-1.1 -0.864 14.6-159.8-110.3 114.9 -6.0 9.3 67.0 29 80 A F E - D 0 107B 6 78,-2.8 78,-2.6 -2,-0.6 3,-0.4 -0.751 24.3-172.5 -89.7 96.5 -6.9 6.1 68.8 30 81 A L E + 0 0 12 29,-1.9 31,-0.3 -2,-1.1 76,-0.2 -0.613 57.4 15.0 -94.9 151.3 -4.3 3.6 67.6 31 82 A G E S+ 0 0 8 74,-0.3 -1,-0.2 -2,-0.2 75,-0.2 0.849 75.5 172.1 59.1 39.1 -4.2 -0.2 68.2 32 83 A V E - D 0 105B 0 73,-2.5 73,-2.1 -3,-0.4 2,-0.7 -0.708 32.8-127.1 -82.4 124.1 -7.8 -0.4 69.4 33 84 A P E + D 0 104B 7 0, 0.0 71,-0.2 0, 0.0 3,-0.1 -0.629 35.6 167.9 -81.1 108.5 -8.8 -4.1 69.8 34 85 A Y + 0 0 0 69,-0.8 2,-0.3 -2,-0.7 70,-0.1 0.622 68.2 25.6 -93.6 -17.1 -12.0 -4.8 67.8 35 86 A A S S- 0 0 3 68,-0.9 -1,-0.2 14,-0.2 68,-0.1 -0.979 86.5-100.7-144.5 153.2 -11.8 -8.6 68.1 36 87 A A B -N 48 0C 19 12,-2.8 12,-0.5 -2,-0.3 -2,-0.0 -0.500 61.4 -76.8 -72.1 144.7 -10.3 -11.2 70.5 37 88 A P - 0 0 50 0, 0.0 2,-1.1 0, 0.0 64,-0.2 -0.092 31.2-141.0 -46.2 128.4 -7.0 -12.8 69.3 38 89 A P + 0 0 4 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.281 58.6 137.9 -85.6 50.8 -7.4 -15.5 66.6 39 90 A T > - 0 0 55 -2,-1.1 3,-2.4 4,-0.1 2,-0.3 -0.639 58.5 -23.4-103.0 151.4 -4.7 -17.4 68.3 40 91 A G G > S+ 0 0 40 1,-0.3 3,-1.5 -2,-0.2 0, 0.0 -0.313 138.0 14.9 60.9-113.6 -4.3 -21.2 69.1 41 92 A E G 3 S+ 0 0 157 -2,-0.3 -1,-0.3 1,-0.3 255,-0.0 0.739 131.2 55.9 -60.9 -24.8 -7.7 -22.8 69.3 42 93 A H G X S+ 0 0 77 -3,-2.4 3,-1.2 -5,-0.1 2,-0.3 0.345 78.1 116.3 -95.1 2.2 -9.1 -19.7 67.5 43 94 A R T < S+ 0 0 13 -3,-1.5 -4,-0.1 1,-0.3 252,-0.1 -0.595 85.7 14.1 -72.4 134.6 -6.7 -19.9 64.6 44 95 A F T 3 S+ 0 0 3 140,-0.4 -1,-0.3 -2,-0.3 151,-0.3 0.838 109.3 111.6 62.1 36.2 -8.6 -20.5 61.3 45 96 A Q S < S- 0 0 90 -3,-1.2 -1,-0.3 -7,-0.1 3,-0.1 -0.971 79.1 -91.8-131.4 149.6 -11.8 -19.6 63.2 46 97 A P - 0 0 65 0, 0.0 2,-0.1 0, 0.0 152,-0.1 -0.219 58.1 -89.1 -54.5 150.3 -14.1 -16.5 62.7 47 98 A P - 0 0 20 0, 0.0 152,-0.0 0, 0.0 -5,-0.0 -0.406 36.8-147.3 -70.5 138.4 -13.2 -13.6 65.0 48 99 A E B -N 36 0C 103 -12,-0.5 -12,-2.8 -2,-0.1 -3,-0.0 -0.674 32.0 -92.8 -94.7 155.8 -14.7 -13.4 68.5 49 100 A P - 0 0 64 0, 0.0 -14,-0.2 0, 0.0 -1,-0.1 -0.315 53.3 -91.5 -67.2 156.3 -15.5 -10.0 70.2 50 101 A P - 0 0 8 0, 0.0 -14,-0.1 0, 0.0 -16,-0.0 -0.180 38.0-103.3 -72.0 160.8 -12.8 -8.6 72.4 51 102 A S - 0 0 92 -16,-0.1 2,-0.1 1,-0.1 -43,-0.1 -0.727 40.6-112.0 -84.6 127.2 -12.5 -9.2 76.2 52 103 A P - 0 0 102 0, 0.0 2,-0.3 0, 0.0 -43,-0.2 -0.348 28.7-154.7 -60.8 129.6 -13.7 -6.2 78.3 53 104 A W - 0 0 29 -45,-2.4 -43,-0.2 -2,-0.1 4,-0.1 -0.845 13.3-158.1-105.7 144.3 -11.0 -4.3 80.4 54 105 A S S S+ 0 0 132 -2,-0.3 -45,-0.1 -45,-0.1 -1,-0.1 0.422 74.3 67.6-100.3 -0.6 -11.7 -2.4 83.5 55 106 A D S S- 0 0 95 -45,-0.1 -45,-0.7 -46,-0.0 2,-0.4 0.010 95.1 -91.2 -94.9-154.9 -8.6 -0.2 83.3 56 107 A I E -b 10 0A 70 -47,-0.1 2,-0.3 -2,-0.0 -45,-0.2 -0.871 39.3-158.2-127.2 94.9 -7.5 2.5 80.8 57 108 A R E -b 11 0A 85 -47,-1.5 -45,-2.4 -2,-0.4 2,-1.3 -0.599 21.7-117.8 -82.8 134.1 -5.5 1.0 77.9 58 109 A N E > -b 12 0A 100 -2,-0.3 2,-1.9 -47,-0.2 3,-0.7 -0.531 27.8-178.3 -74.9 90.9 -3.2 3.3 75.9 59 110 A A T 3 + 0 0 3 -2,-1.3 -29,-1.9 -47,-0.9 -45,-0.4 -0.425 57.0 103.5 -80.4 62.2 -4.4 3.4 72.3 60 111 A T T 3 + 0 0 39 -2,-1.9 2,-0.3 -31,-0.2 -1,-0.2 0.511 67.7 52.5-124.3 -14.6 -1.5 5.7 71.6 61 112 A Q S < S- 0 0 155 -3,-0.7 2,-0.2 -31,-0.3 -1,-0.1 -0.869 92.8 -90.8-125.3 155.2 1.0 3.5 69.8 62 113 A F - 0 0 73 -2,-0.3 3,-0.1 -32,-0.1 44,-0.1 -0.511 40.1-136.6 -66.9 130.9 0.7 1.2 66.7 63 114 A A - 0 0 16 -2,-0.2 -32,-0.1 1,-0.2 96,-0.1 -0.506 40.7 -74.6 -79.4 157.6 -0.3 -2.4 67.7 64 115 A P - 0 0 39 0, 0.0 34,-0.2 0, 0.0 2,-0.2 -0.065 49.4-122.6 -50.4 153.8 1.5 -5.2 66.0 65 116 A V B -o 98 0D 2 32,-1.8 34,-2.1 1,-0.1 3,-0.1 -0.593 34.2 -86.5 -96.5 161.6 0.6 -6.1 62.3 66 117 A a - 0 0 3 36,-0.2 34,-0.2 -2,-0.2 -1,-0.1 -0.347 59.0 -82.6 -69.3 148.2 -0.6 -9.4 61.1 67 118 A P + 0 0 4 0, 0.0 2,-0.3 0, 0.0 114,-0.2 -0.284 64.9 153.2 -59.4 129.4 2.0 -12.0 60.1 68 119 A Q - 0 0 8 27,-0.2 2,-0.6 -3,-0.1 87,-0.1 -0.968 41.6-126.3-153.5 156.6 3.3 -11.4 56.6 69 120 A N - 0 0 34 85,-0.3 2,-0.6 -2,-0.3 113,-0.0 -0.952 21.8-167.0-113.8 113.7 6.5 -12.1 54.6 70 121 A I + 0 0 37 -2,-0.6 2,-0.3 25,-0.1 -2,-0.0 -0.904 25.3 144.6-107.6 115.1 8.0 -9.1 52.9 71 122 A I - 0 0 68 -2,-0.6 4,-0.3 0, 0.0 2,-0.1 -0.964 50.6-111.6-152.5 128.2 10.7 -10.0 50.4 72 123 A D S S+ 0 0 118 -2,-0.3 2,-1.2 1,-0.2 13,-0.0 -0.374 103.6 11.5 -60.3 137.9 11.6 -8.4 47.0 73 124 A G S S+ 0 0 57 2,-0.3 -1,-0.2 1,-0.1 4,-0.2 -0.480 112.2 78.4 88.9 -61.8 10.8 -10.8 44.1 74 125 A R S S+ 0 0 74 -2,-1.2 -2,-0.2 2,-0.1 -1,-0.1 0.374 89.0 67.6 -65.5 4.3 8.7 -13.2 46.2 75 126 A L S S- 0 0 21 -4,-0.3 2,-1.0 233,-0.0 -2,-0.3 -0.980 93.6-113.7-121.7 143.4 5.8 -10.6 46.1 76 127 A P >> - 0 0 46 0, 0.0 3,-1.8 0, 0.0 4,-1.2 -0.627 26.2-175.2 -85.0 100.5 3.9 -9.8 42.8 77 128 A E T 34 S+ 0 0 62 -2,-1.0 277,-0.2 1,-0.3 8,-0.1 0.792 80.2 72.0 -61.0 -30.9 4.7 -6.2 41.8 78 129 A V T 34 S+ 0 0 36 1,-0.2 -1,-0.3 276,-0.1 277,-0.1 0.579 109.3 34.3 -60.2 -8.4 2.2 -6.5 38.9 79 130 A M T <4 S+ 0 0 11 -3,-1.8 -2,-0.2 2,-0.1 -1,-0.2 0.706 102.3 76.6-119.4 -35.0 -0.5 -6.5 41.6 80 131 A L S < S- 0 0 5 -4,-1.2 5,-0.1 1,-0.1 385,-0.1 -0.509 93.5 -82.6 -86.8 152.0 0.6 -4.2 44.5 81 132 A P > - 0 0 3 0, 0.0 4,-1.6 0, 0.0 3,-0.3 -0.144 35.8-124.8 -50.2 146.1 0.5 -0.4 44.4 82 133 A V H > S+ 0 0 3 383,-2.8 4,-1.7 1,-0.3 5,-0.2 0.797 113.0 53.6 -71.9 -27.7 3.5 1.2 42.7 83 134 A W H > S+ 0 0 14 382,-0.4 4,-0.7 1,-0.2 -1,-0.3 0.807 108.2 53.8 -67.7 -29.7 4.3 3.3 45.7 84 135 A F H 4 S+ 0 0 4 -3,-0.3 -2,-0.2 2,-0.2 7,-0.2 0.863 113.3 39.0 -73.2 -40.6 4.2 0.1 47.7 85 136 A T H >< S+ 0 0 12 -4,-1.6 3,-0.8 1,-0.2 -2,-0.2 0.974 112.7 51.7 -75.5 -59.2 6.8 -1.8 45.5 86 137 A N H 3< S+ 0 0 33 -4,-1.7 2,-0.2 1,-0.3 -1,-0.2 0.683 117.4 43.8 -52.5 -23.5 9.3 1.0 44.7 87 138 A N T 3X + 0 0 20 -4,-0.7 4,-1.0 -5,-0.2 -1,-0.3 -0.543 65.1 137.8-125.0 67.8 9.5 1.7 48.5 88 139 A L H <> + 0 0 29 -3,-0.8 4,-2.2 2,-0.2 5,-0.2 0.854 68.7 62.3 -77.7 -36.3 9.7 -1.6 50.3 89 140 A D H > S+ 0 0 126 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.820 106.5 47.7 -60.2 -29.6 12.3 -0.6 52.8 90 141 A V H > S+ 0 0 19 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.855 111.0 51.1 -75.2 -36.7 9.8 2.0 54.1 91 142 A V H X S+ 0 0 0 -4,-1.0 4,-0.8 1,-0.2 3,-0.2 0.778 100.7 63.5 -71.4 -27.1 7.1 -0.7 54.2 92 143 A S H >X S+ 0 0 43 -4,-2.2 4,-1.1 1,-0.2 3,-0.7 0.897 97.9 55.6 -62.2 -41.2 9.4 -3.0 56.2 93 144 A S H 3< S+ 0 0 63 -4,-0.8 4,-0.3 1,-0.3 -1,-0.2 0.787 106.4 49.7 -66.1 -30.4 9.5 -0.6 59.1 94 145 A Y H 3< S+ 0 0 60 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.698 120.6 37.4 -76.2 -20.4 5.7 -0.6 59.4 95 146 A V H << S+ 0 0 7 -4,-0.8 -2,-0.2 -3,-0.7 -27,-0.2 0.401 87.7 90.6-114.4 -0.6 5.7 -4.4 59.4 96 147 A Q S < S+ 0 0 158 -4,-1.1 2,-0.7 -5,-0.1 -3,-0.1 0.802 76.0 73.5 -70.6 -28.4 8.8 -5.4 61.4 97 148 A D S S+ 0 0 96 -4,-0.3 -32,-1.8 -34,-0.1 2,-0.4 -0.800 78.3 178.2 -84.2 115.6 6.7 -5.5 64.6 98 149 A Q B +o 65 0D 65 -2,-0.7 2,-0.3 -34,-0.2 -32,-0.2 -0.940 19.6 151.8-135.6 142.5 4.7 -8.7 64.2 99 150 A S - 0 0 38 -34,-2.1 -2,-0.0 -2,-0.4 0, 0.0 -0.978 43.5-132.7-160.3 154.1 2.1 -10.9 65.9 100 151 A E S S+ 0 0 16 -2,-0.3 2,-1.5 -34,-0.2 3,-0.2 0.842 103.8 73.6 -72.4 -37.2 -0.7 -13.4 65.3 101 152 A D + 0 0 50 1,-0.2 -1,-0.2 -64,-0.2 -65,-0.0 -0.663 66.2 126.4 -71.8 88.0 -2.7 -11.4 67.8 102 153 A a + 0 0 1 -2,-1.5 2,-1.8 -39,-0.1 -36,-0.2 0.351 11.0 129.4-136.2 1.8 -3.2 -8.5 65.4 103 154 A L + 0 0 1 -3,-0.2 -68,-0.9 -68,-0.1 -69,-0.8 -0.459 42.9 138.6 -72.4 85.7 -6.9 -7.7 65.1 104 155 A Y E -D 33 0B 24 -2,-1.8 74,-2.8 -71,-0.2 2,-0.3 -0.847 39.4-148.2-132.6 163.5 -6.7 -3.9 65.6 105 156 A L E -DE 32 177B 0 -73,-2.1 -73,-2.5 -2,-0.3 2,-0.4 -0.886 8.0-146.2-123.8 157.1 -8.1 -0.6 64.4 106 157 A N E - E 0 176B 2 70,-2.3 70,-2.3 -2,-0.3 2,-0.5 -0.999 17.6-161.2-121.5 129.0 -6.8 3.0 64.2 107 158 A I E -DE 29 175B 0 -78,-2.6 -78,-2.8 -2,-0.4 2,-0.7 -0.937 3.4-162.9-116.9 119.4 -9.4 5.7 64.7 108 159 A Y E -DE 28 174B 2 66,-3.4 66,-1.7 -2,-0.5 -80,-0.2 -0.878 11.4-177.5-108.0 109.4 -8.8 9.2 63.5 109 160 A V E -D 27 0B 15 -82,-2.4 -82,-2.9 -2,-0.7 64,-0.1 -0.918 20.6-135.1-113.1 118.9 -11.0 11.8 65.1 110 161 A P E -D 26 0B 7 0, 0.0 2,-0.4 0, 0.0 -84,-0.3 -0.447 21.0-158.8 -70.3 142.1 -10.9 15.5 64.2 111 162 A T - 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0 0 9 5,-0.8 81,-0.1 -2,-0.4 3,-0.1 0.361 63.3-103.6 -80.0 3.6 -9.5 -26.8 52.3 190 241 A G S S+ 0 0 50 4,-0.6 2,-0.2 1,-0.3 5,-0.1 0.879 93.2 39.9 74.2 41.9 -12.7 -26.2 50.4 191 242 A D S S- 0 0 73 3,-1.2 -1,-0.3 96,-0.0 -2,-0.1 -0.856 112.6 -45.7-176.3-145.4 -15.2 -27.3 53.1 192 243 A Q S S+ 0 0 183 -2,-0.2 3,-0.3 1,-0.2 -2,-0.0 0.483 116.8 72.6 -93.4 -4.8 -15.8 -27.2 56.9 193 244 A A S S- 0 0 16 1,-0.4 2,-0.4 2,-0.0 -1,-0.2 0.957 125.6 -1.5 -68.2 -54.7 -12.3 -28.1 57.9 194 245 A A - 0 0 0 1,-0.0 -3,-1.2 -8,-0.0 -5,-0.8 -0.976 69.3-171.4-135.5 122.6 -11.1 -24.7 56.8 195 246 A K B -P 188 0E 80 -2,-0.4 -7,-0.2 -151,-0.3 124,-0.1 0.493 28.5-144.9 -96.9 -3.3 -13.9 -22.5 55.4 196 247 A G + 0 0 2 -9,-1.0 -1,-0.2 -152,-0.1 -9,-0.1 -0.160 68.0 87.7 69.6-169.9 -11.6 -19.6 54.2 197 248 A N > + 0 0 0 120,-0.3 4,-2.4 -11,-0.3 -11,-0.2 0.698 45.2 139.7 52.9 28.9 -12.6 -15.9 54.2 198 249 A Y H > S+ 0 0 8 -13,-0.7 4,-1.3 2,-0.2 -12,-0.2 0.911 70.8 52.3 -68.1 -41.0 -11.4 -15.3 57.8 199 250 A G H >> S+ 0 0 0 -14,-2.8 4,-2.2 2,-0.2 3,-0.5 0.922 108.8 49.9 -59.1 -47.9 -9.9 -12.0 56.9 200 251 A L H 3> S+ 0 0 2 -15,-0.4 4,-2.4 1,-0.2 5,-0.2 0.963 108.1 53.2 -53.9 -52.1 -13.2 -10.9 55.4 201 252 A L H 3X S+ 0 0 22 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.738 106.2 55.5 -57.7 -24.6 -15.0 -12.1 58.6 202 253 A D H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 3,-0.9 0.950 116.6 48.2 -55.3 -53.2 -17.4 -3.0 66.6 210 261 A T H 3X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.3 5,-0.3 0.899 110.7 49.9 -57.0 -47.2 -17.5 0.3 64.7 211 262 A S H 3< S+ 0 0 33 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.696 119.4 39.6 -66.7 -19.3 -21.3 0.2 64.3 212 263 A E H << S+ 0 0 89 -4,-1.2 -2,-0.2 -3,-0.9 -1,-0.2 0.695 130.9 23.0 -97.3 -24.4 -21.6 -0.5 68.0 213 264 A N H >X S+ 0 0 0 -4,-2.3 3,-1.6 -5,-0.2 4,-0.7 0.639 92.7 86.2-122.0 -23.4 -18.9 1.8 69.4 214 265 A I H 3X>S+ 0 0 0 -4,-2.8 5,-3.0 -5,-0.3 4,-0.5 0.779 81.3 72.1 -58.1 -26.4 -18.1 4.7 66.9 215 266 A G H >45S+ 0 0 40 -5,-0.3 3,-0.8 3,-0.3 -1,-0.3 0.837 91.1 57.6 -55.6 -37.0 -21.0 6.7 68.5 216 267 A F H <45S+ 0 0 82 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.888 105.5 48.2 -63.1 -41.6 -18.9 7.2 71.6 217 268 A F H 3<5S- 0 0 6 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.515 133.0 -94.0 -75.3 -6.0 -16.1 8.9 69.6 218 269 A G T <<5S+ 0 0 15 -3,-0.8 -76,-3.2 -4,-0.5 -3,-0.3 0.647 79.0 145.7 98.9 23.0 -18.8 11.0 68.0 219 270 A G E < -f 142 0B 2 -5,-3.0 -1,-0.3 -78,-0.3 5,-0.1 -0.621 50.6-127.0 -95.3 151.8 -19.4 8.8 64.9 220 271 A D E > - 0 0 34 -78,-1.7 3,-2.5 -2,-0.2 -76,-0.5 -0.826 13.1-162.8 -96.8 101.6 -22.7 8.2 63.0 221 272 A P E 3 S+ 0 0 41 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.476 91.2 56.0 -66.9 3.1 -23.1 4.4 62.8 222 273 A L E 3 S+ 0 0 128 1,-0.1 27,-0.1 28,-0.0 25,-0.0 0.435 103.2 52.9-108.0 -5.4 -25.7 5.0 60.0 223 274 A R E < S+ 0 0 82 -3,-2.5 -79,-0.7 -81,-0.1 2,-0.3 -0.102 76.1 145.2-118.1 35.3 -23.3 7.1 57.8 224 275 A I E -f 144 0B 0 -3,-0.2 26,-2.1 -81,-0.2 27,-1.4 -0.579 29.3-164.9 -82.3 133.1 -20.4 4.6 57.6 225 276 A T E -fh 145 251B 0 -81,-3.2 -79,-2.2 -2,-0.3 2,-0.5 -0.961 6.5-157.8-123.7 111.0 -18.4 4.4 54.4 226 277 A V E +fh 146 252B 0 25,-1.4 27,-2.0 -2,-0.5 2,-0.3 -0.765 22.5 173.7 -81.0 128.5 -16.1 1.5 53.6 227 278 A F E +fh 147 253B 2 -81,-3.3 -79,-2.3 -2,-0.5 2,-0.3 -0.980 2.7 162.9-134.9 153.3 -13.5 2.5 51.0 228 279 A G E -fh 148 254B 0 25,-1.6 27,-2.6 -2,-0.3 2,-0.3 -0.990 21.9-144.5-159.6 162.0 -10.5 0.6 49.7 229 280 A S E >> - h 0 255B 2 -81,-0.7 3,-2.0 -2,-0.3 4,-0.5 -0.862 68.0 -2.2-127.3 167.9 -7.9 0.4 46.9 230 281 A G H >> S- 0 0 5 25,-1.6 4,-0.9 1,-0.3 3,-0.7 -0.301 140.0 -10.2 54.5-132.9 -6.2 -2.4 45.2 231 282 A A H 3> S+ 0 0 4 -81,-0.9 4,-2.1 -80,-0.4 -1,-0.3 0.750 139.2 61.7 -66.0 -26.4 -7.3 -5.7 46.8 232 283 A G H <> S+ 0 0 0 -3,-2.0 4,-1.9 -82,-0.3 -2,-0.3 0.779 99.3 55.0 -67.7 -31.5 -9.0 -3.6 49.5 233 284 A G H < - 0 0 0 -4,-0.5 3,-1.9 -3,-0.3 83,-0.1 -0.602 65.5-148.9 -80.6 126.0 -21.8 -10.5 51.6 243 294 A H G > S+ 0 0 88 80,-0.4 3,-1.5 -2,-0.4 -1,-0.1 0.783 96.2 73.2 -54.7 -29.4 -25.0 -11.1 53.6 244 295 A Y G 3 S+ 0 0 90 80,-0.3 -1,-0.3 1,-0.3 80,-0.1 0.545 83.5 70.5 -64.9 -6.7 -22.9 -10.4 56.7 245 296 A S G X> + 0 0 0 -3,-1.9 3,-0.9 -6,-0.2 4,-0.8 0.265 63.4 134.7 -99.3 10.6 -22.9 -6.8 55.7 246 297 A E T <4 S- 0 0 91 -3,-1.5 4,-0.1 1,-0.2 -3,-0.0 -0.461 85.5 -9.7 -64.5 121.0 -26.5 -6.0 56.5 247 307 A G T 34 S+ 0 0 57 2,-0.3 -1,-0.2 -2,-0.3 3,-0.1 0.325 110.0 100.4 76.8 -6.7 -26.8 -2.7 58.4 248 308 A L T <4 S+ 0 0 11 -3,-0.9 2,-0.3 1,-0.2 -2,-0.1 0.776 92.6 5.2 -85.0 -29.6 -23.0 -2.5 59.0 249 309 A F < - 0 0 4 -4,-0.8 -2,-0.3 1,-0.1 -1,-0.2 -0.957 50.5-168.6-147.3 166.9 -22.3 0.1 56.2 250 310 A Q S S+ 0 0 49 -26,-2.1 92,-1.4 1,-0.3 2,-0.4 0.567 72.2 40.8-131.3 -24.3 -24.3 2.1 53.7 251 311 A R E -hi 225 342B 25 -27,-1.4 -25,-1.4 90,-0.2 2,-0.4 -0.999 63.1-166.7-136.1 137.8 -21.9 3.6 51.1 252 312 A A E -hi 226 343B 0 90,-2.7 92,-1.5 -2,-0.4 2,-0.4 -0.977 9.1-165.0-132.9 138.1 -18.9 2.0 49.4 253 313 A I E -hi 227 344B 0 -27,-2.0 -25,-1.6 -2,-0.4 2,-0.5 -0.980 6.2-169.0-119.5 127.7 -15.9 3.3 47.4 254 314 A A E -hi 228 345B 1 90,-1.6 92,-1.4 -2,-0.4 2,-0.6 -0.970 4.5-163.1-120.0 120.6 -13.7 0.9 45.3 255 315 A Q E S-hi 229 346B 2 -27,-2.6 -25,-1.6 -2,-0.5 -22,-0.3 -0.891 71.0 -31.6-109.2 112.0 -10.4 2.2 43.9 256 316 A S S S+ 0 0 0 90,-3.2 -26,-0.2 -2,-0.6 -1,-0.2 0.926 118.4 95.7 46.3 55.4 -8.8 0.2 41.1 257 317 A G + 0 0 7 89,-0.3 2,-0.2 -24,-0.2 -20,-0.2 -0.704 45.0 171.9-175.9 114.6 -10.1 -3.0 42.6 258 318 A T - 0 0 3 -2,-0.2 3,-0.4 -22,-0.1 -24,-0.1 -0.738 43.7-117.9-119.0 171.3 -13.2 -5.0 41.8 259 319 A A S S+ 0 0 5 -2,-0.2 71,-0.1 1,-0.2 -25,-0.1 0.183 107.8 67.0 -89.0 16.8 -14.5 -8.4 43.0 260 320 A L + 0 0 45 164,-0.1 -1,-0.2 69,-0.1 70,-0.0 0.543 69.6 106.3-117.2 -13.2 -14.3 -9.5 39.3 261 321 A S S > S- 0 0 7 -3,-0.4 3,-1.4 1,-0.1 4,-0.5 -0.228 82.4-108.3 -67.2 161.6 -10.6 -9.5 38.4 262 322 A S T 3 S+ 0 0 19 1,-0.3 52,-0.4 2,-0.1 -1,-0.1 0.552 117.9 46.8 -68.8 -6.4 -8.7 -12.8 38.0 263 323 A W T 3 S+ 0 0 14 50,-0.2 -1,-0.3 161,-0.1 50,-0.1 0.154 88.9 80.7-123.6 17.8 -6.8 -12.1 41.3 264 324 A A S < S+ 0 0 0 -3,-1.4 2,-0.4 1,-0.2 -2,-0.1 0.747 96.5 37.2 -93.1 -28.7 -9.7 -11.1 43.7 265 325 A V S S- 0 0 4 -4,-0.5 2,-0.8 52,-0.1 49,-0.3 -0.982 76.7-129.9-126.1 136.0 -10.9 -14.6 44.5 266 326 A S - 0 0 3 52,-2.8 54,-0.4 -2,-0.4 51,-0.1 -0.774 22.4-176.5 -81.0 111.8 -8.9 -17.8 45.0 267 327 A F S S+ 0 0 121 -2,-0.8 -1,-0.1 1,-0.3 3,-0.1 0.587 79.7 45.4 -89.4 -11.3 -10.7 -20.4 42.8 268 328 A Q > + 0 0 106 46,-0.3 4,-0.9 1,-0.1 -1,-0.3 -0.682 63.6 152.1-125.3 77.6 -8.4 -23.2 44.0 269 329 A P H > S+ 0 0 25 0, 0.0 4,-1.7 0, 0.0 -81,-0.5 0.885 75.3 48.5 -74.3 -34.2 -8.3 -22.8 47.7 270 330 A A H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.841 103.8 59.5 -75.1 -37.1 -7.7 -26.5 48.4 271 331 A K H > S+ 0 0 93 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.867 115.5 36.0 -55.2 -39.3 -4.9 -26.9 45.8 272 332 A Y H X S+ 0 0 15 -4,-0.9 4,-1.5 43,-0.2 -2,-0.2 0.728 111.2 59.6 -92.7 -25.3 -2.9 -24.2 47.7 273 333 A A H X S+ 0 0 0 -4,-1.7 4,-1.5 -85,-0.4 -2,-0.2 0.896 112.0 42.0 -63.2 -41.6 -4.0 -25.3 51.2 274 334 A R H X S+ 0 0 69 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.731 109.4 56.1 -82.6 -26.1 -2.5 -28.7 50.5 275 335 A I H X S+ 0 0 73 -4,-0.8 4,-1.2 -5,-0.2 -1,-0.2 0.863 109.2 49.0 -69.7 -36.4 0.7 -27.5 48.8 276 336 A L H X S+ 0 0 0 -4,-1.5 4,-1.1 2,-0.2 3,-0.3 0.898 107.2 53.8 -67.5 -44.6 1.4 -25.4 51.9 277 337 A A H <>S+ 0 0 0 -4,-1.5 5,-3.7 1,-0.2 6,-0.6 0.858 105.9 55.0 -56.8 -37.4 0.8 -28.4 54.2 278 338 A T H ><5S+ 0 0 83 -4,-1.3 3,-0.8 4,-0.3 -1,-0.2 0.852 104.8 52.7 -63.3 -37.9 3.4 -30.3 52.1 279 339 A K H 3<5S+ 0 0 103 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.682 116.6 38.7 -74.7 -20.1 6.0 -27.5 52.7 280 340 A V T 3<5S- 0 0 7 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.142 118.5-105.4-114.6 18.0 5.5 -27.8 56.5 281 341 A G T < 5S+ 0 0 68 -3,-0.8 -3,-0.2 -5,-0.1 -4,-0.1 0.889 90.5 111.1 64.3 46.0 5.1 -31.6 56.7 282 342 A c < + 0 0 5 -5,-3.7 2,-1.9 -8,-0.1 -4,-0.3 0.133 25.5 127.6-136.5 13.3 1.3 -31.6 57.3 283 343 A N + 0 0 78 -6,-0.6 2,-0.2 -7,-0.1 4,-0.1 -0.546 36.0 160.8 -80.6 79.3 -0.1 -33.0 54.0 284 344 A V - 0 0 54 -2,-1.9 6,-0.2 2,-0.2 -2,-0.1 -0.621 49.0-109.6-101.6 163.2 -2.3 -35.7 55.6 285 345 A S S S+ 0 0 117 -2,-0.2 2,-0.3 4,-0.1 -1,-0.1 0.931 99.6 57.4 -61.2 -58.4 -5.2 -37.6 53.9 286 346 A D S > S- 0 0 72 1,-0.1 4,-1.3 2,-0.0 -2,-0.2 -0.586 78.5-139.9 -74.2 137.0 -8.2 -36.1 55.9 287 347 A T H > S+ 0 0 22 -2,-0.3 4,-2.5 1,-0.2 3,-0.4 0.919 98.6 56.3 -65.0 -44.9 -8.4 -32.4 55.7 288 348 A V H > S+ 0 0 74 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.824 108.1 49.7 -61.1 -31.9 -9.5 -31.7 59.3 289 349 A E H > S+ 0 0 117 2,-0.2 4,-1.9 -3,-0.2 -1,-0.3 0.837 109.8 52.7 -67.6 -35.8 -6.3 -33.6 60.4 290 350 A L H X S+ 0 0 0 -4,-1.3 4,-1.4 -3,-0.4 -2,-0.2 0.888 114.3 40.0 -67.8 -42.3 -4.4 -31.4 58.0 291 351 A V H X S+ 0 0 7 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.830 108.7 64.8 -74.2 -34.1 -5.8 -28.2 59.5 292 352 A E H >X S+ 0 0 116 -4,-2.0 4,-0.6 -5,-0.3 3,-0.6 0.932 108.1 38.5 -51.4 -52.8 -5.5 -29.8 63.0 293 353 A c H >X S+ 0 0 32 -4,-1.9 4,-1.0 1,-0.2 3,-0.9 0.848 106.6 65.0 -71.3 -35.0 -1.7 -29.8 62.7 294 354 A L H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.744 100.6 53.7 -59.9 -23.0 -1.5 -26.4 60.9 295 355 A Q H << S+ 0 0 38 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.749 104.6 53.4 -79.7 -28.8 -2.9 -24.9 64.2 296 356 A K H << S+ 0 0 188 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.660 92.7 91.5 -77.3 -18.6 -0.1 -26.5 66.3 297 357 A K S < S- 0 0 57 -4,-1.0 2,-0.1 1,-0.1 5,-0.1 -0.636 91.0-104.2 -85.3 135.1 2.6 -24.9 64.0 298 358 A P >> - 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