==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 30-DEC-02 1NJ8 . COMPND 2 MOLECULE: PROLINE-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR S.KAMTEKAR,W.D.KENNEDY,J.WANG,C.STATHOPOULOS,D.SOLL, . 1824 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 77464.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1379 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 339 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.7 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 . 184 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 186 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 515 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 1.6 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 0 6 2 10 2 2 8 6 0 0 0 2 2 0 0 2 4 0 2 0 0 2 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 8 3 9 2 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 0 PARALLEL BRIDGES PER LADDER . 21 12 13 9 10 2 2 4 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 . 0 6 2 2 2 2 0 0 2 0 2 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 0 A M 0 0 151 0, 0.0 2,-0.3 0, 0.0 1155,-0.0 0.000 360.0 360.0 360.0 -2.2 77.7 28.4 43.3 2 1 A L - 0 0 74 1,-0.1 266,-0.0 2,-0.0 3,-0.0 -0.807 360.0-104.4-115.8 154.6 81.4 28.3 44.3 3 2 A E > - 0 0 136 -2,-0.3 4,-1.8 1,-0.1 3,-0.3 -0.255 40.6-102.4 -69.2 162.9 83.5 30.0 46.9 4 3 A F H >> S+ 0 0 19 1,-0.2 4,-2.8 2,-0.2 3,-1.1 0.957 108.9 64.5 -48.2 -75.0 85.8 32.9 46.0 5 4 A S H 3> S+ 0 0 55 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.692 115.7 29.2 -20.0 -58.9 89.2 31.2 46.0 6 5 A E H 3> S+ 0 0 118 -3,-0.3 4,-2.9 2,-0.2 -1,-0.3 0.812 116.1 58.8 -83.5 -28.8 88.3 28.9 43.1 7 6 A W H X S+ 0 0 61 -4,-2.9 4,-2.0 1,-0.2 3,-1.3 0.998 112.4 42.0 -71.5 -68.6 88.7 29.9 37.6 11 10 A I H 3X S+ 0 0 3 -4,-2.9 4,-2.2 1,-0.3 6,-0.4 0.825 101.0 74.3 -48.3 -35.0 87.6 33.1 35.9 12 11 A L H 3< S+ 0 0 4 -4,-2.7 6,-0.8 -5,-0.4 -1,-0.3 0.235 115.4 22.3 -64.9 17.0 91.2 34.1 36.0 13 12 A E H X4 S+ 0 0 109 -3,-1.3 3,-2.2 4,-0.2 -2,-0.2 0.375 115.6 59.3-148.2 -49.7 91.5 31.5 33.2 14 13 A K H 3< S+ 0 0 121 -4,-2.0 -3,-0.2 1,-0.3 -2,-0.2 0.731 109.1 53.3 -62.6 -19.4 88.0 31.0 31.7 15 14 A A T 3< S- 0 0 0 -4,-2.2 -1,-0.3 -5,-0.3 -3,-0.1 0.477 114.5-123.6 -91.5 -5.7 88.4 34.7 31.0 16 15 A E S < S+ 0 0 104 -3,-2.2 18,-1.1 -5,-0.2 17,-0.2 0.874 71.2 133.2 63.6 37.4 91.7 34.1 29.3 17 16 A I S S- 0 0 0 -6,-0.4 14,-0.2 1,-0.2 -4,-0.2 0.809 70.9 -5.2 -89.8 -31.8 93.2 36.5 31.7 18 17 A Y - 0 0 4 -6,-0.8 12,-0.2 12,-0.2 -1,-0.2 -0.594 58.4-148.5-169.8 97.3 96.3 34.8 33.0 19 18 A D B -A 29 0A 10 10,-1.3 10,-2.5 -2,-0.2 3,-0.1 -0.486 15.3-175.6 -66.0 138.2 97.5 31.3 32.3 20 19 A V + 0 0 71 8,-0.3 5,-0.2 -2,-0.1 4,-0.2 0.179 54.0 100.6-124.3 17.6 99.3 30.0 35.4 21 20 A R + 0 0 111 8,-0.1 -1,-0.1 2,-0.1 7,-0.1 0.432 44.5 128.8 -83.2 1.2 100.6 26.6 34.2 22 21 A Y S > S- 0 0 2 1,-0.2 2,-3.0 -3,-0.1 3,-1.3 -0.455 76.5-105.7 -60.9 125.0 104.1 27.9 33.6 23 22 A P T 3 S+ 0 0 46 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.168 103.8 67.1 -51.2 55.1 106.4 25.5 35.4 24 23 A I T 3 S- 0 0 21 -2,-3.0 4,-0.1 -4,-0.2 -3,-0.1 0.443 86.8-131.0-151.5 -14.7 107.4 27.6 38.4 25 24 A K S < S+ 0 0 108 -3,-1.3 -4,-0.1 -5,-0.2 3,-0.0 0.908 99.4 45.8 53.1 93.7 104.4 28.2 40.6 26 25 A G S S+ 0 0 7 -6,-0.2 121,-2.1 -4,-0.2 2,-0.3 0.246 99.2 78.9 123.5 -5.2 104.5 32.0 41.0 27 26 A C + 0 0 2 -5,-0.4 -2,-0.2 -7,-0.2 2,-0.1 -0.682 52.9 157.0-136.5 82.9 105.2 32.7 37.4 28 27 A G - 0 0 1 -2,-0.3 2,-0.4 119,-0.2 -8,-0.3 -0.418 38.9-111.7 -94.5 178.2 102.1 32.6 35.2 29 28 A V B -A 19 0A 0 -10,-2.5 -10,-1.3 -2,-0.1 2,-0.9 -0.939 17.7-123.5-118.3 136.5 101.8 34.4 31.8 30 29 A Y B -B 515 0B 0 485,-2.3 485,-1.3 -2,-0.4 -12,-0.2 -0.649 31.9-147.3 -78.3 105.6 99.5 37.3 31.0 31 30 A L > - 0 0 11 -2,-0.9 4,-2.2 -14,-0.2 3,-0.3 -0.323 34.3 -87.2 -69.0 155.8 97.5 36.1 28.1 32 31 A P H > S+ 0 0 31 0, 0.0 4,-2.4 0, 0.0 3,-0.2 0.789 126.5 45.2 -25.7 -74.5 96.4 38.6 25.5 33 32 A Y H > S+ 0 0 21 1,-0.2 4,-3.1 -17,-0.2 -16,-0.2 0.897 112.7 51.2 -42.3 -58.0 93.2 39.8 27.2 34 33 A G H 4 S+ 0 0 0 -18,-1.1 -1,-0.2 -3,-0.3 5,-0.2 0.930 108.8 51.9 -47.4 -51.4 94.8 40.1 30.6 35 34 A F H >X S+ 0 0 6 -4,-2.2 4,-2.0 -3,-0.2 3,-1.1 0.945 112.1 45.8 -51.5 -52.8 97.6 42.2 29.1 36 35 A K H >X S+ 0 0 39 -4,-2.4 2,-2.2 1,-0.3 4,-2.0 0.970 105.1 58.0 -56.3 -57.5 95.1 44.5 27.5 37 36 A I H 3< S+ 0 0 0 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.142 115.1 42.7 -63.8 31.4 93.0 44.7 30.7 38 37 A R H <> S+ 0 0 33 -2,-2.2 4,-3.1 -3,-1.1 5,-0.3 0.396 102.3 61.8-142.9 -38.0 96.2 46.0 32.1 39 38 A R H S+ 0 0 21 -4,-0.5 4,-2.1 -3,-0.3 -1,-0.2 0.929 109.6 38.8 -68.7 -45.8 95.4 55.5 34.2 45 44 A I H > S+ 0 0 0 -4,-0.5 4,-1.9 -3,-0.3 5,-0.2 0.875 112.1 59.5 -73.0 -35.5 98.1 55.7 36.9 46 45 A R H X S+ 0 0 66 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.925 109.9 42.5 -58.1 -43.8 100.6 56.6 34.2 47 46 A N H X S+ 0 0 64 -4,-1.9 4,-2.9 -5,-0.2 5,-0.4 0.926 112.1 52.5 -68.7 -45.2 98.6 59.7 33.3 48 47 A L H X S+ 0 0 22 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.756 114.9 44.1 -62.0 -24.8 97.8 60.6 36.9 49 48 A L H <>S+ 0 0 0 -4,-1.9 5,-2.8 2,-0.2 -1,-0.2 0.771 113.6 49.6 -87.4 -31.3 101.5 60.4 37.6 50 49 A D H ><5S+ 0 0 36 -4,-1.9 3,-1.0 -5,-0.2 -2,-0.2 0.884 113.9 43.9 -74.9 -39.2 102.5 62.3 34.4 51 50 A E H 3<5S+ 0 0 151 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.817 107.8 62.5 -73.2 -30.5 100.0 65.2 35.1 52 51 A S T 3<5S- 0 0 20 -4,-0.6 -1,-0.2 -5,-0.4 -2,-0.2 0.379 126.9 -97.2 -76.3 3.1 101.1 65.2 38.7 53 52 A G T < 5S+ 0 0 49 -3,-1.0 71,-0.2 1,-0.2 -3,-0.2 0.654 78.8 137.4 92.1 16.2 104.6 66.1 37.7 54 53 A H < - 0 0 1 -5,-2.8 2,-0.3 -8,-0.1 -1,-0.2 -0.403 40.5-149.3 -89.4 171.2 106.2 62.7 37.7 55 54 A D E -c 125 0C 77 69,-1.5 71,-1.5 -2,-0.1 2,-0.2 -0.882 9.5-145.1-146.6 109.8 108.6 61.3 35.1 56 55 A E E +c 126 0C 6 -2,-0.3 437,-0.4 69,-0.2 2,-0.3 -0.471 27.8 159.3 -75.2 143.4 108.7 57.6 34.3 57 56 A A - 0 0 0 69,-2.6 2,-0.5 -2,-0.2 71,-0.2 -0.909 35.7-109.1-152.1 172.7 112.0 56.0 33.4 58 57 A L B -N 487 0D 14 429,-1.2 429,-1.0 -2,-0.3 69,-0.1 -0.952 26.5-167.5-119.9 127.9 113.4 52.5 33.3 59 58 A F - 0 0 0 -2,-0.5 427,-0.1 427,-0.2 426,-0.1 -0.744 32.8 -88.1-109.3 158.8 116.0 51.1 35.7 60 59 A P - 0 0 0 0, 0.0 -1,-0.2 0, 0.0 47,-0.1 0.002 23.2-143.8 -54.8 165.2 118.1 47.9 35.5 61 60 A M S S+ 0 0 0 1,-0.1 39,-2.5 38,-0.0 2,-0.7 0.669 78.0 81.4-104.2 -24.0 116.8 44.7 37.0 62 61 A L E -P 99 0E 1 37,-0.2 37,-0.2 422,-0.1 -1,-0.1 -0.751 58.2-171.2 -91.2 111.9 120.1 43.3 38.3 63 62 A I E -P 98 0E 0 35,-2.9 35,-1.8 -2,-0.7 42,-0.0 -0.882 18.4-137.3-102.9 118.8 121.2 44.8 41.7 64 63 A P E > -P 97 0E 2 0, 0.0 4,-2.1 0, 0.0 5,-0.4 -0.295 25.5-104.7 -73.7 158.0 124.7 43.8 42.7 65 64 A E H > S+ 0 0 53 31,-0.6 4,-3.2 1,-0.2 5,-0.2 0.891 115.9 64.5 -43.4 -48.9 125.8 42.8 46.2 66 65 A D H > S+ 0 0 111 2,-0.2 4,-0.5 1,-0.2 3,-0.3 0.921 112.7 26.4 -39.4 -81.6 127.4 46.2 46.6 67 66 A L H >> S+ 0 0 7 1,-0.2 3,-3.8 2,-0.2 4,-1.2 0.945 121.0 53.2 -52.8 -58.7 124.3 48.4 46.4 68 67 A L H 3X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.3 3,-0.4 0.879 99.8 66.9 -47.1 -36.7 121.8 45.8 47.7 69 68 A A H 3< S+ 0 0 51 -4,-3.2 -1,-0.3 -5,-0.4 -2,-0.2 0.742 99.0 51.4 -55.6 -24.6 124.2 45.4 50.6 70 69 A K H << S+ 0 0 94 -3,-3.8 -1,-0.3 -4,-0.5 -2,-0.2 0.857 93.4 71.9 -80.3 -38.0 123.3 49.0 51.5 71 70 A E H < S+ 0 0 2 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.848 103.3 44.7 -44.9 -41.5 119.5 48.2 51.4 72 71 A A < - 0 0 13 -4,-1.0 5,-0.0 1,-0.1 127,-0.0 -0.323 69.2-145.7 -98.1-176.5 119.9 46.2 54.6 73 72 A E S S- 0 0 141 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.732 91.6 -14.6-113.0 -56.0 121.7 46.9 57.9 74 73 A H S S- 0 0 171 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.690 120.6 -60.8-108.5 -69.4 123.0 43.4 59.0 75 74 A I S > S- 0 0 80 4,-0.0 3,-0.8 3,-0.0 5,-0.4 -0.085 82.0-178.2-170.3 22.1 120.9 41.1 56.8 76 75 A K G > - 0 0 45 1,-0.2 2,-1.6 2,-0.1 3,-0.5 0.299 54.4 -49.9 -29.9 159.8 117.6 42.4 58.2 77 76 A G G 3 S+ 0 0 84 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 -0.048 126.6 66.2 -40.6 76.4 114.3 41.0 57.1 78 77 A F G X S+ 0 0 30 -2,-1.6 3,-2.8 -3,-0.8 -1,-0.2 0.056 81.3 53.0-157.3 -84.8 115.3 41.5 53.4 79 78 A E G X S+ 0 0 33 -3,-0.5 3,-0.6 1,-0.3 467,-0.1 0.727 95.1 79.2 -40.5 -29.1 118.1 39.5 51.7 80 79 A D G 3 S+ 0 0 97 -5,-0.4 2,-0.5 -4,-0.4 -1,-0.3 0.807 96.1 43.7 -53.0 -34.5 116.4 36.4 53.0 81 80 A E G < S+ 0 0 58 -3,-2.8 2,-0.4 465,-0.1 -1,-0.3 -0.605 92.1 111.2-114.0 71.6 113.8 36.6 50.2 82 81 A V < - 0 0 2 -3,-0.6 464,-1.1 -2,-0.5 2,-0.3 -0.997 59.2-130.7-146.4 139.4 116.0 37.4 47.1 83 82 A Y E -Q 545 0E 2 16,-0.5 16,-1.8 -2,-0.4 2,-0.4 -0.634 26.7-159.3 -86.1 145.6 117.0 35.7 44.0 84 83 A W E -QR 544 98E 2 460,-1.0 459,-1.8 -2,-0.3 2,-0.7 -0.979 15.5-146.8-129.6 140.6 120.7 35.8 43.2 85 84 A V E +QR 542 97E 0 12,-4.7 12,-1.1 -2,-0.4 457,-0.2 -0.929 30.6 159.1-105.6 109.3 122.6 35.4 39.9 86 85 A T E + 0 0 17 455,-0.9 7,-1.1 -2,-0.7 2,-0.4 0.790 53.4 66.1 -99.5 -38.7 125.9 33.8 40.8 87 86 A H E -QR 541 92E 57 454,-0.9 454,-1.6 5,-0.2 5,-0.3 -0.746 59.7-157.4 -93.0 133.2 127.0 32.2 37.6 88 87 A G S S- 0 0 1 3,-2.0 2,-0.5 -2,-0.4 3,-0.3 -0.209 80.7 -59.1 -94.6 41.3 127.8 34.4 34.6 89 88 A G S S- 0 0 3 2,-0.3 449,-0.2 1,-0.2 448,-0.1 -0.984 118.8 -14.2 120.0-116.2 127.1 31.3 32.5 90 89 A K S S+ 0 0 140 -2,-0.5 -1,-0.2 447,-0.4 447,-0.1 0.855 129.8 67.4 -85.9 -37.6 129.3 28.4 33.4 91 90 A T S S- 0 0 84 -3,-0.3 -3,-2.0 446,-0.2 -2,-0.3 -0.168 88.9-104.6 -77.9 170.7 131.7 30.6 35.5 92 91 A Q E - R 0 87E 139 -5,-0.3 -5,-0.2 -4,-0.1 -1,-0.1 -0.385 23.9-133.7 -86.9 173.6 131.1 32.4 38.7 93 92 A L E - 0 0 19 -7,-1.1 -6,-0.1 -2,-0.1 -1,-0.1 0.619 8.2-143.2-108.8 -13.5 130.7 36.2 38.7 94 93 A D E S+ 0 0 164 -8,-0.2 2,-0.5 1,-0.1 -7,-0.1 0.206 93.7 74.0 68.8 -21.8 132.9 37.7 41.5 95 94 A V E S- 0 0 59 -9,-0.2 2,-1.8 -10,-0.1 -1,-0.1 -0.937 81.7-145.3-126.6 105.5 129.8 39.9 41.6 96 95 A K E - 0 0 71 -2,-0.5 -31,-0.6 -12,-0.1 -10,-0.2 -0.515 22.5-163.8 -71.9 85.9 126.6 38.4 43.1 97 96 A L E -PR 64 85E 7 -2,-1.8 -12,-4.7 -12,-1.1 2,-0.3 -0.470 7.6-156.2 -70.6 143.6 124.0 40.1 40.9 98 97 A A E -PR 63 84E 0 -35,-1.8 -35,-2.9 -14,-0.3 2,-0.6 -0.927 20.7-109.8-127.6 149.1 120.5 39.9 42.4 99 98 A L E -P 62 0E 1 -16,-1.8 -16,-0.5 -2,-0.3 -37,-0.2 -0.645 48.7-105.3 -78.2 118.5 117.0 40.1 41.0 100 99 A R - 0 0 2 -39,-2.5 32,-1.5 -2,-0.6 -1,-0.1 -0.135 37.5-179.7 -48.1 110.2 115.4 43.4 42.1 101 100 A P S S- 0 0 18 0, 0.0 -1,-0.2 0, 0.0 30,-0.1 0.979 85.4 -5.8 -73.9 -63.2 112.9 42.7 44.9 102 101 A T S S- 0 0 18 29,-0.1 30,-0.1 51,-0.0 51,-0.1 0.658 82.1-137.6 -92.1-105.3 112.0 46.3 45.3 103 102 A S S > S+ 0 0 0 28,-0.1 4,-1.1 26,-0.0 5,-0.1 0.297 71.7 104.6 157.1 6.1 114.2 48.6 43.1 104 103 A E H > + 0 0 2 1,-0.2 4,-3.3 2,-0.2 5,-0.4 0.884 69.7 70.8 -73.8 -38.6 115.1 51.5 45.2 105 104 A T H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.883 107.5 35.4 -44.1 -49.9 118.6 50.3 45.8 106 105 A P H > S+ 0 0 0 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.807 116.9 53.5 -77.7 -29.6 119.6 51.0 42.2 107 106 A I H X S+ 0 0 0 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.843 111.1 45.0 -74.3 -34.8 117.4 54.2 41.8 108 107 A Y H X S+ 0 0 1 -4,-3.3 4,-1.8 2,-0.2 5,-0.2 0.959 106.2 58.0 -74.0 -47.7 118.9 55.9 44.9 109 108 A Y H X S+ 0 0 62 -4,-1.5 4,-0.7 -5,-0.4 -1,-0.2 0.845 113.8 45.5 -47.7 -30.0 122.4 55.0 44.0 110 109 A M H >< S+ 0 0 0 -4,-0.8 3,-0.6 2,-0.2 4,-0.3 0.905 98.0 63.4 -83.7 -44.0 121.5 56.9 40.9 111 110 A M H >X S+ 0 0 0 -4,-2.4 4,-3.7 1,-0.3 3,-1.6 0.827 98.5 62.7 -51.1 -29.0 119.7 60.0 42.3 112 111 A K H 3< S+ 0 0 76 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.971 99.5 52.0 -57.3 -52.6 123.2 60.7 43.8 113 112 A L T << S+ 0 0 39 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.422 119.9 36.7 -65.2 4.3 124.5 60.9 40.3 114 113 A W T <4 S+ 0 0 49 -3,-1.6 2,-0.7 -4,-0.3 -2,-0.2 0.673 100.5 72.8-124.7 -35.0 121.8 63.4 39.5 115 114 A V < + 0 0 4 -4,-3.7 120,-0.3 -5,-0.2 -1,-0.2 -0.769 46.1 133.8 -91.5 115.7 121.2 65.5 42.6 116 115 A K + 0 0 147 -2,-0.7 121,-1.5 1,-0.3 -1,-0.2 0.644 67.6 24.1-120.6 -60.5 124.0 68.1 43.2 117 116 A V B > S-v 237 0F 49 119,-0.3 3,-0.7 1,-0.0 4,-0.3 -0.374 87.9 -99.1-100.8-176.5 122.4 71.5 44.0 118 117 A H T 3 S+ 0 0 77 119,-0.9 3,-0.2 1,-0.2 120,-0.1 0.582 117.4 65.2 -80.4 -10.4 119.0 72.4 45.4 119 118 A T T 3 S+ 0 0 105 1,-0.2 -1,-0.2 118,-0.1 -4,-0.0 0.582 87.5 67.7 -86.5 -12.7 117.7 73.1 41.9 120 119 A D S < S+ 0 0 49 -3,-0.7 -1,-0.2 3,-0.0 -2,-0.2 0.731 91.3 126.7 -76.0 -23.1 118.0 69.5 40.8 121 120 A L + 0 0 18 -4,-0.3 37,-0.1 -3,-0.2 2,-0.1 -0.596 39.5 37.2 -89.7 151.3 115.3 68.8 43.3 122 121 A P + 0 0 60 0, 0.0 36,-0.2 0, 0.0 2,-0.1 0.650 56.0 176.0 -95.6 168.9 112.7 67.5 43.3 123 122 A I - 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0 0 0 -3,-2.0 -3,-0.2 -62,-0.4 -2,-0.1 0.760 37.0-179.8 67.4 24.6 83.1 41.2 31.3 334 333 A V < - 0 0 2 -5,-2.3 21,-0.3 1,-0.2 -1,-0.2 -0.463 24.5-141.2 -60.2 116.6 82.7 43.3 28.2 335 334 A P S S+ 0 0 2 0, 0.0 20,-2.5 0, 0.0 2,-0.3 0.927 77.1 24.8 -42.2 -67.2 80.6 46.2 29.7 336 335 A L E -bC 282 354J 0 -55,-2.3 -53,-1.9 18,-0.2 2,-0.4 -0.771 63.9-171.1-108.8 150.6 78.3 46.7 26.8 337 336 A R E -bC 283 353J 16 16,-1.2 16,-0.9 -2,-0.3 2,-0.5 -0.991 9.2-153.4-141.6 131.0 77.2 44.4 24.0 338 337 A I E -bC 284 352J 0 -55,-3.6 -53,-2.9 -2,-0.4 2,-0.6 -0.915 6.0-151.3-109.5 124.0 75.2 45.3 20.9 339 338 A E E -bC 285 351J 19 12,-2.6 2,-1.0 -2,-0.5 12,-0.9 -0.833 7.7-156.7 -93.7 120.8 73.1 42.8 19.1 340 339 A V E +b 286 0J 0 -55,-2.6 -53,-1.6 -2,-0.6 -40,-0.1 -0.776 27.8 169.3-100.0 92.3 72.9 43.6 15.4 341 340 A G > - 0 0 6 -2,-1.0 4,-1.3 -55,-0.1 5,-0.1 -0.608 41.0-129.6-107.7 166.8 69.7 41.9 14.3 342 341 A P H >> S+ 0 0 32 0, 0.0 4,-1.9 0, 0.0 3,-0.7 0.978 111.2 39.6 -71.7 -64.0 67.4 41.8 11.2 343 342 A K H 3> S+ 0 0 137 1,-0.2 4,-0.5 2,-0.2 -2,-0.0 0.641 116.1 63.2 -64.1 -6.8 63.9 42.3 12.7 344 343 A D H 34>S+ 0 0 20 2,-0.2 5,-1.3 1,-0.1 -1,-0.2 0.848 102.8 40.1 -86.1 -38.6 65.9 44.8 14.8 345 344 A I H X<5S+ 0 0 40 -4,-1.3 3,-2.1 -3,-0.7 -2,-0.2 0.831 105.5 67.7 -80.0 -30.8 67.2 47.2 12.1 346 345 A E H 3<5S+ 0 0 136 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.833 99.7 49.7 -55.5 -36.4 63.8 47.1 10.3 347 346 A N T 3<5S- 0 0 67 -4,-0.5 -1,-0.3 2,-0.2 -2,-0.2 0.423 118.6-114.7 -83.0 -0.2 62.2 48.9 13.3 348 347 A K T < 5S+ 0 0 144 -3,-2.1 17,-1.9 1,-0.3 18,-0.2 0.605 80.1 112.9 76.4 14.5 65.0 51.5 13.2 349 348 A K E < - D 0 364J 71 -5,-1.3 2,-0.3 15,-0.2 -1,-0.3 -0.675 52.1-153.3-115.3 169.7 66.3 50.4 16.6 350 349 A I E - D 0 363J 6 13,-2.6 13,-0.9 -2,-0.2 2,-0.5 -0.992 18.1-132.7-142.5 136.0 69.4 48.7 17.9 351 350 A T E -CD 339 362J 9 -12,-0.9 -12,-2.6 -2,-0.3 11,-0.3 -0.813 18.6-168.0-103.2 128.8 69.5 46.6 21.1 352 351 A L E -CD 338 361J 0 9,-1.9 9,-1.0 -2,-0.5 2,-0.4 -0.548 8.5-150.1-106.2 170.5 72.1 46.8 23.9 353 352 A F E -CD 337 360J 17 -16,-0.9 -16,-1.2 7,-0.2 2,-1.1 -0.988 10.7-142.9-143.1 126.7 73.1 44.7 26.9 354 353 A R E >> -C 336 0J 25 5,-1.9 4,-3.1 -2,-0.4 3,-0.8 -0.728 6.8-160.2 -94.1 90.8 74.5 45.8 30.2 355 354 A R T 34 S+ 0 0 3 -20,-2.5 -1,-0.1 -2,-1.1 -19,-0.1 0.389 89.1 59.3 -51.3 11.3 77.0 43.1 31.2 356 355 A D T 34 S+ 0 0 4 -2,-0.5 -1,-0.2 -21,-0.2 -20,-0.1 0.813 122.1 14.2-106.9 -50.7 76.6 44.6 34.7 357 356 A T T <4 S- 0 0 2 -3,-0.8 -2,-0.2 2,-0.2 3,-0.1 0.425 95.7-135.8-101.5 -4.7 72.9 44.4 35.5 358 357 A M < + 0 0 28 -4,-3.1 2,-0.4 1,-0.2 -3,-0.2 0.751 55.1 144.5 53.8 28.5 72.5 42.0 32.7 359 358 A E - 0 0 46 -5,-0.5 -5,-1.9 782,-0.0 2,-0.5 -0.805 39.2-147.3 -96.6 137.3 69.4 43.8 31.7 360 359 A K E +D 353 0J 118 -2,-0.4 2,-0.2 -7,-0.2 -7,-0.2 -0.929 23.1 165.9-114.9 122.4 68.8 44.1 27.9 361 360 A F E -D 352 0J 73 -9,-1.0 -9,-1.9 -2,-0.5 2,-0.2 -0.772 25.0-135.6-125.4 168.2 67.0 47.0 26.2 362 361 A Q E +D 351 0J 112 -11,-0.3 2,-0.3 -2,-0.2 -11,-0.2 -0.641 23.2 177.8-113.5 174.0 66.5 48.5 22.8 363 362 A V E -D 350 0J 32 -13,-0.9 -13,-2.6 -2,-0.2 2,-0.3 -0.960 38.8 -73.0-172.0 160.7 66.8 52.1 21.7 364 363 A D E > -D 349 0J 75 -2,-0.3 3,-3.3 -15,-0.2 4,-0.4 -0.481 35.7-132.6 -70.1 124.1 66.6 54.3 18.6 365 364 A E T 3 S+ 0 0 37 -17,-1.9 3,-0.3 -2,-0.3 4,-0.2 0.585 104.3 65.9 -50.9 -11.5 69.5 54.0 16.3 366 365 A T T 3 S+ 0 0 133 -18,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.573 102.0 45.1 -89.9 -8.7 69.7 57.8 16.2 367 366 A Q S <> S+ 0 0 98 -3,-3.3 4,-3.2 2,-0.1 -2,-0.2 0.261 78.7 114.5-114.2 8.4 70.6 58.1 19.9 368 367 A L H > S+ 0 0 11 -4,-0.4 4,-2.7 -3,-0.3 5,-0.3 0.927 76.5 44.5 -42.1 -74.6 73.3 55.3 19.9 369 368 A M H > S+ 0 0 65 1,-0.3 4,-2.3 -4,-0.2 -1,-0.2 0.881 116.2 46.8 -38.7 -59.4 76.4 57.5 20.6 370 369 A E H > S+ 0 0 82 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.924 117.1 46.1 -52.2 -47.4 74.6 59.4 23.3 371 370 A V H X S+ 0 0 7 -4,-3.2 4,-4.4 2,-0.2 5,-0.5 0.988 107.9 52.2 -59.7 -65.1 73.3 56.2 24.8 372 371 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.844 114.9 46.8 -40.0 -42.8 76.5 54.2 24.6 373 372 A E H X S+ 0 0 75 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 1.000 118.2 37.6 -64.1 -68.4 78.2 57.1 26.5 374 373 A K H X S+ 0 0 74 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.902 120.4 48.2 -51.1 -46.9 75.5 57.5 29.2 375 374 A T H X S+ 0 0 15 -4,-4.4 4,-2.2 -5,-0.2 -1,-0.2 0.935 110.6 51.1 -59.8 -46.8 74.9 53.8 29.4 376 375 A L H X S+ 0 0 6 -4,-2.4 4,-1.4 -5,-0.5 -1,-0.2 0.792 114.5 44.5 -60.3 -31.9 78.7 53.1 29.7 377 376 A N H X S+ 0 0 89 -4,-2.1 4,-2.1 -3,-0.2 5,-0.4 0.973 108.1 54.9 -74.1 -64.2 79.0 55.7 32.5 378 377 A N H X S+ 0 0 40 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.828 107.0 54.9 -36.5 -43.3 75.9 54.6 34.4 379 378 A I H X S+ 0 0 2 -4,-2.2 4,-2.9 -5,-0.2 3,-0.4 0.988 110.0 42.7 -56.8 -63.6 77.5 51.2 34.4 380 379 A M H X S+ 0 0 22 -4,-1.4 4,-3.3 1,-0.3 5,-0.3 0.955 113.5 52.4 -44.5 -64.6 80.8 52.4 36.0 381 380 A E H X S+ 0 0 114 -4,-2.1 4,-1.4 1,-0.2 -1,-0.3 0.841 115.9 43.5 -41.9 -39.9 78.9 54.6 38.4 382 381 A N H >X S+ 0 0 10 -4,-2.4 4,-2.7 -3,-0.4 3,-1.1 0.995 112.4 46.4 -72.0 -64.3 76.9 51.4 39.3 383 382 A I H 3X S+ 0 0 4 -4,-2.9 4,-2.0 1,-0.3 -2,-0.2 0.836 112.4 57.0 -47.0 -33.4 79.6 48.8 39.5 384 383 A K H 3X S+ 0 0 57 -4,-3.3 4,-2.2 -5,-0.4 -1,-0.3 0.901 109.5 42.0 -66.8 -41.6 81.4 51.4 41.6 385 384 A N H X S+ 0 0 4 -4,-1.4 3,-2.7 -5,-0.3 4,-0.6 0.995 111.7 40.7 -69.7 -70.9 82.8 47.3 51.1 392 391 A E H >< S+ 0 0 76 -4,-3.1 3,-0.9 1,-0.3 -2,-0.2 0.778 110.2 62.6 -47.7 -31.9 81.1 49.5 53.7 393 392 A N H 3< S+ 0 0 53 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.779 102.7 49.6 -66.2 -28.6 78.9 46.5 54.5 394 393 A F H << S+ 0 0 32 -3,-2.7 22,-0.8 -4,-0.7 2,-0.6 0.489 91.7 96.6 -88.2 -7.5 82.0 44.6 55.6 395 394 A I E << -k 416 0C 12 -3,-0.9 2,-0.5 -4,-0.6 22,-0.2 -0.802 55.5-168.4 -93.7 118.2 83.2 47.4 57.8 396 395 A T E -k 417 0C 16 20,-2.4 22,-3.2 -2,-0.6 2,-0.9 -0.931 7.0-158.6-108.6 120.1 82.3 47.2 61.5 397 396 A I E -k 418 0C 53 -2,-0.5 22,-0.2 20,-0.2 20,-0.1 -0.716 15.1-168.0-100.8 82.0 82.8 50.3 63.6 398 397 A L - 0 0 12 20,-1.5 3,-0.1 -2,-0.9 19,-0.0 -0.095 20.1-147.2 -61.0 168.9 83.1 49.2 67.2 399 398 A E S S+ 0 0 57 1,-0.3 2,-0.3 20,-0.2 -1,-0.1 0.385 80.5 34.8-116.6 -6.1 82.9 51.7 70.0 400 399 A D S S- 0 0 83 2,-0.1 2,-1.3 20,-0.0 -1,-0.3 -0.992 77.6-119.0-154.2 145.7 85.3 49.7 72.3 401 400 A I + 0 0 40 -2,-0.3 3,-0.1 -3,-0.1 18,-0.1 -0.231 41.8 159.8 -79.2 45.8 88.3 47.5 72.0 402 401 A N >> - 0 0 38 -2,-1.3 4,-1.9 1,-0.2 3,-1.1 -0.573 21.7-166.2 -70.9 106.8 87.0 44.2 73.5 403 402 A P H 3> S+ 0 0 33 0, 0.0 4,-1.8 0, 0.0 5,-0.4 0.905 85.2 55.4 -60.7 -46.0 89.6 41.7 72.0 404 403 A D H 34 S+ 0 0 94 1,-0.2 4,-0.1 2,-0.2 -2,-0.1 0.626 113.2 48.7 -64.0 -8.7 87.7 38.5 72.8 405 404 A E H <> S+ 0 0 5 -3,-1.1 4,-3.2 3,-0.1 -1,-0.2 0.823 106.0 51.2 -96.2 -44.1 84.9 40.2 70.9 406 405 A I H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 5,-0.2 0.966 110.4 47.8 -60.6 -55.7 86.8 41.4 67.8 407 406 A K H < S+ 0 0 54 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.828 116.0 49.1 -55.2 -29.9 88.3 38.0 67.0 408 407 A N H >4 S+ 0 0 76 -5,-0.4 3,-0.9 1,-0.2 -2,-0.2 0.902 111.3 45.7 -74.8 -45.8 84.7 36.7 67.6 409 408 A I H 3X>S+ 0 0 14 -4,-3.2 5,-1.1 1,-0.2 4,-1.0 0.597 110.7 56.9 -75.1 -10.0 83.1 39.3 65.3 410 409 A L T 3<5S+ 0 0 12 -4,-1.6 -1,-0.2 3,-0.2 -2,-0.2 0.523 98.4 59.9 -96.0 -11.1 85.8 38.6 62.7 411 410 A S T <45S+ 0 0 102 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.1 -0.266 122.1 19.3-111.0 44.0 85.0 34.9 62.6 412 411 A E T 45S+ 0 0 101 -3,-0.4 -2,-0.2 0, 0.0 -3,-0.1 0.096 137.6 28.7-170.4 -48.8 81.4 35.4 61.4 413 412 A K T <5S+ 0 0 81 -4,-1.0 -3,-0.2 -5,-0.2 -4,-0.1 0.871 84.6 169.2 -92.8 -49.6 81.2 38.9 60.0 414 413 A R < + 0 0 92 -5,-1.1 -18,-0.2 1,-0.1 -201,-0.1 -0.342 28.5 98.8 69.7-147.8 84.8 39.3 58.8 415 414 A G S S- 0 0 0 -202,-0.5 39,-0.8 -5,-0.1 2,-0.3 -0.388 90.8 -26.6 65.8-146.6 85.8 42.2 56.6 416 415 A V E -kL 395 453C 0 -22,-0.8 -20,-2.4 37,-0.2 2,-0.5 -0.790 52.6-148.4-108.3 149.1 87.5 45.0 58.5 417 416 A I E -kL 396 452C 0 35,-4.5 35,-4.2 -2,-0.3 2,-0.5 -0.945 10.4-169.3-118.7 113.8 87.1 46.0 62.2 418 417 A L E +kL 397 451C 0 -22,-3.2 -20,-1.5 -2,-0.5 33,-0.2 -0.895 10.3 176.4-104.5 123.4 87.4 49.7 63.1 419 418 A V E - L 0 450C 1 31,-2.0 31,-3.8 -2,-0.5 -20,-0.2 -0.946 43.0 -79.1-126.0 148.7 87.6 50.5 66.8 420 419 A P E - L 0 449C 49 0, 0.0 2,-0.5 0, 0.0 29,-0.2 0.005 53.0-113.4 -41.9 146.7 88.1 53.8 68.5 421 420 A F + 0 0 65 27,-1.5 2,-0.3 28,-0.1 27,-0.1 -0.805 43.9 158.2 -97.9 125.5 91.8 54.9 68.5 422 421 A K > - 0 0 136 -2,-0.5 3,-0.7 1,-0.1 4,-0.1 -0.906 36.7-147.1-145.9 108.4 93.7 55.2 71.7 423 422 A E G > S+ 0 0 165 -2,-0.3 3,-2.6 1,-0.2 -1,-0.1 0.844 85.6 92.5 -38.6 -40.8 97.5 55.1 71.7 424 423 A E G 3 S+ 0 0 126 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.729 102.8 8.5 -17.3 -80.7 96.9 53.4 75.1 425 424 A I G < S+ 0 0 54 -3,-0.7 2,-0.9 1,-0.1 -1,-0.3 -0.205 93.0 122.3-108.0 40.0 96.9 49.7 74.0 426 425 A Y < + 0 0 25 -3,-2.6 2,-0.2 -4,-0.1 -1,-0.1 -0.655 43.9 107.7-103.0 72.7 98.0 50.2 70.4 427 426 A N S > S- 0 0 72 -2,-0.9 4,-0.5 -235,-0.1 3,-0.4 -0.705 88.8 -80.7-132.4-175.3 101.1 48.0 70.4 428 427 A E H > S+ 0 0 117 1,-0.2 4,-1.9 -2,-0.2 3,-0.5 0.720 120.5 69.2 -67.2 -19.2 101.9 44.6 68.9 429 428 A E H > S+ 0 0 127 1,-0.2 4,-0.8 2,-0.2 6,-0.3 0.966 85.0 69.0 -61.7 -49.0 100.2 42.8 71.7 430 429 A L H >> S+ 0 0 12 -3,-0.4 4,-4.4 1,-0.3 3,-0.5 0.824 104.7 43.3 -34.4 -46.4 96.8 44.0 70.5 431 430 A E H 3X S+ 0 0 36 -4,-0.5 4,-2.9 -3,-0.5 5,-0.4 0.954 112.5 48.9 -68.6 -50.7 97.4 41.7 67.5 432 431 A E H 3< S+ 0 0 172 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.449 119.9 46.8 -68.2 6.8 98.7 38.8 69.6 433 432 A K H << S+ 0 0 103 -4,-0.8 -2,-0.3 -3,-0.5 -3,-0.2 0.779 120.5 28.7-109.5 -61.5 95.5 39.8 71.5 434 433 A V H < S- 0 0 0 -4,-4.4 -3,-0.2 -5,-0.2 -2,-0.2 0.692 99.8-139.5 -73.3 -17.5 92.7 40.1 68.9 435 434 A E S < S+ 0 0 124 -4,-2.9 -3,-0.2 -5,-0.4 -4,-0.1 0.932 71.4 91.2 57.1 51.4 94.8 37.6 66.9 436 435 A A S S- 0 0 17 -5,-0.4 2,-0.1 -6,-0.1 19,-0.1 0.192 86.3 -85.4-131.2-107.6 94.2 39.3 63.6 437 436 A T - 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0 0 67 -2,-0.4 -9,-2.3 -9,-0.0 2,-0.2 -0.521 21.2-146.1 -97.2 167.2 111.0 81.2 9.2 819 361 B Q E +T 808 0N 93 -11,-0.2 2,-0.3 -2,-0.2 -11,-0.2 -0.738 15.6 175.4-125.4 175.0 107.8 83.0 10.1 820 362 B V E -T 807 0N 43 -13,-1.8 -13,-1.4 -2,-0.2 4,-0.0 -0.914 43.4 -67.8-176.6 151.6 104.2 83.0 9.0 821 363 B D E -T 806 0N 95 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.2 0.027 43.4-129.7 -42.0 152.8 100.8 84.4 9.8 822 364 B E S > S+ 0 0 25 -17,-1.8 3,-1.5 1,-0.2 4,-0.2 0.932 103.0 63.8 -78.0 -47.3 99.3 83.1 13.0 823 365 B T T 3 S+ 0 0 107 -18,-0.3 -1,-0.2 1,-0.3 4,-0.1 0.695 99.2 63.9 -50.2 -15.4 95.9 82.1 11.9 824 366 B Q T 3> S+ 0 0 89 -3,-0.2 4,-1.7 1,-0.1 -1,-0.3 -0.163 73.6 106.2-101.8 37.3 97.9 79.6 9.8 825 367 B L H <> S+ 0 0 4 -3,-1.5 4,-1.1 2,-0.2 3,-0.4 0.980 74.4 45.5 -77.6 -76.7 99.4 77.7 12.8 826 368 B M H > S+ 0 0 89 1,-0.3 4,-0.9 -4,-0.2 5,-0.1 0.751 117.6 54.3 -38.1 -28.1 97.6 74.3 13.0 827 369 B E H > S+ 0 0 93 3,-0.1 4,-2.5 2,-0.1 -1,-0.3 0.962 108.9 42.1 -73.9 -57.8 98.4 74.4 9.2 828 370 B V H X S+ 0 0 20 -4,-1.7 4,-5.1 -3,-0.4 5,-0.3 0.984 114.9 47.3 -54.0 -70.8 102.1 75.0 9.3 829 371 B V H X S+ 0 0 0 -4,-1.1 4,-3.0 1,-0.2 5,-0.3 0.892 113.7 48.8 -36.4 -63.7 103.1 72.7 12.2 830 372 B E H X S+ 0 0 82 -4,-0.9 4,-1.5 -5,-0.3 -1,-0.2 0.922 122.5 35.0 -43.6 -54.6 101.1 69.8 10.7 831 373 B K H X S+ 0 0 115 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.881 114.4 56.1 -70.8 -42.1 102.7 70.5 7.3 832 374 B T H >X S+ 0 0 9 -4,-5.1 4,-2.8 -5,-0.2 3,-0.9 0.926 107.7 49.4 -57.9 -47.8 106.1 71.5 8.5 833 375 B L H 3X S+ 0 0 10 -4,-3.0 4,-2.4 -5,-0.3 5,-0.5 0.950 104.0 56.5 -57.8 -51.3 106.5 68.2 10.5 834 376 B N H 3X S+ 0 0 114 -4,-1.5 4,-0.7 -5,-0.3 -1,-0.3 0.762 113.7 46.0 -53.4 -19.6 105.5 66.1 7.5 835 377 B N H X S+ 0 0 110 -4,-0.7 4,-3.0 -5,-0.5 3,-0.9 0.991 112.0 51.3 -57.4 -64.0 110.6 63.5 5.3 839 381 B N H 3X S+ 0 0 45 -4,-3.9 4,-1.4 1,-0.3 -1,-0.2 0.825 115.0 44.2 -41.3 -43.7 113.6 65.9 4.8 840 382 B I H 3X S+ 0 0 7 -4,-2.8 4,-2.1 -5,-0.3 -1,-0.3 0.799 112.0 51.4 -76.8 -30.4 115.5 63.9 7.5 841 383 B K H < S+ 0 0 88 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.883 114.9 53.7 -45.3 -49.5 124.0 58.8 3.3 848 390 B F H >X S+ 0 0 9 -4,-3.2 3,-2.8 1,-0.3 4,-0.6 0.960 107.0 50.2 -51.3 -56.7 123.1 55.1 3.5 849 391 B E H 3< S+ 0 0 95 -4,-3.7 3,-0.3 1,-0.3 -1,-0.3 0.721 106.3 59.2 -54.2 -23.6 123.4 54.8 -0.3 850 392 B N T << S+ 0 0 121 -4,-1.4 -1,-0.3 -3,-0.9 -2,-0.2 0.263 103.3 50.6 -91.4 10.3 126.8 56.5 -0.0 851 393 B F T <4 S+ 0 0 33 -3,-2.8 22,-1.3 1,-0.0 2,-0.6 0.392 91.9 86.1-121.8 -6.6 128.1 53.8 2.2 852 394 B I E < -v 873 0O 10 -4,-0.6 2,-0.5 -3,-0.3 22,-0.2 -0.882 59.6-171.7-101.5 117.7 127.1 50.9 -0.0 853 395 B T E -v 874 0O 23 20,-1.8 22,-1.9 -2,-0.6 2,-0.4 -0.951 8.7-151.6-114.6 124.7 129.7 50.2 -2.6 854 396 B I E -v 875 0O 80 -2,-0.5 22,-0.2 20,-0.2 2,-0.1 -0.812 14.2-176.8-100.2 134.4 128.9 47.7 -5.4 855 397 B L - 0 0 18 20,-1.8 3,-0.1 -2,-0.4 21,-0.1 -0.060 23.1-146.4-104.5-153.4 131.6 45.6 -7.1 856 398 B E S S+ 0 0 136 1,-0.3 2,-0.4 20,-0.1 20,-0.1 0.321 72.4 63.9-157.2 -9.3 131.5 43.1 -10.0 857 399 B D S S- 0 0 66 2,-0.1 2,-2.6 3,-0.0 -1,-0.3 -0.977 76.3-123.9-132.7 143.1 134.1 40.6 -9.1 858 400 B I + 0 0 66 -2,-0.4 18,-0.0 -3,-0.1 20,-0.0 -0.230 59.4 146.6 -73.0 49.4 134.6 38.0 -6.4 859 401 B N >> + 0 0 62 -2,-2.6 4,-2.5 1,-0.2 3,-0.7 -0.778 24.4 178.3 -98.2 100.3 138.0 39.6 -5.6 860 402 B P H 3> S+ 0 0 12 0, 0.0 4,-1.1 0, 0.0 5,-0.5 0.972 81.7 58.4 -60.4 -59.8 138.7 39.4 -1.8 861 403 B D H 34 S+ 0 0 111 1,-0.2 4,-0.2 2,-0.1 -2,-0.1 0.669 114.4 46.2 -48.0 -12.8 142.1 41.0 -1.9 862 404 B E H <> S+ 0 0 66 -3,-0.7 4,-2.5 3,-0.1 3,-0.3 0.898 109.1 47.1 -94.1 -60.3 140.0 43.8 -3.4 863 405 B I H X S+ 0 0 3 -4,-2.5 4,-1.2 1,-0.2 3,-0.2 0.955 109.0 53.4 -45.5 -70.9 137.0 44.1 -1.1 864 406 B K H >X S+ 0 0 68 -4,-1.1 4,-1.5 1,-0.3 3,-0.9 0.827 111.9 48.7 -31.5 -48.7 138.9 44.1 2.1 865 407 B N H 34 S+ 0 0 99 -5,-0.5 -1,-0.3 -3,-0.3 -2,-0.2 0.969 104.5 55.9 -60.1 -56.8 140.9 46.9 0.7 866 408 B I H 3< S+ 0 0 35 -4,-2.5 3,-0.4 1,-0.2 5,-0.4 0.612 105.3 58.8 -55.3 -10.2 137.9 49.0 -0.4 867 409 B L H XX S+ 0 0 14 -4,-1.2 2,-3.7 -3,-0.9 4,-3.1 0.957 98.4 51.5 -82.5 -63.8 136.8 48.7 3.2 868 410 B S T 3< S+ 0 0 118 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 -0.136 119.4 41.8 -68.8 49.2 139.7 50.4 4.9 869 411 B E T 34 S+ 0 0 152 -2,-3.7 -1,-0.3 -3,-0.4 -2,-0.2 0.235 138.7 3.5-166.1 -16.0 139.2 53.2 2.5 870 412 B K T <4 S- 0 0 104 -3,-2.5 -3,-0.2 -4,-0.3 -2,-0.2 0.411 80.3-172.0-152.0 -23.6 135.4 53.6 2.3 871 413 B R < + 0 0 106 -4,-3.1 2,-0.2 -5,-0.4 -18,-0.1 -0.095 38.1 106.9 52.9-151.5 133.9 51.2 4.9 872 414 B G S S- 0 0 1 -202,-1.0 39,-0.6 -203,-0.1 2,-0.3 -0.506 84.5 -43.9 79.5-154.2 130.2 50.8 4.9 873 415 B V E -vW 852 910O 0 -22,-1.3 -20,-1.8 -2,-0.2 2,-0.4 -0.862 53.2-139.6-115.4 150.3 128.8 47.5 3.4 874 416 B I E -vW 853 909O 0 35,-4.1 35,-2.2 -2,-0.3 2,-0.3 -0.894 9.6-163.4-114.3 138.9 129.9 45.8 0.3 875 417 B L E +v 854 0O 0 -22,-1.9 -20,-1.8 -2,-0.4 33,-0.2 -0.879 11.1 176.5-114.9 148.6 127.8 44.0 -2.3 876 418 B V - 0 0 5 -2,-0.3 31,-0.4 -22,-0.2 3,-0.1 -0.980 43.1 -81.7-152.2 139.2 129.1 41.6 -4.9 877 419 B P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 29,-0.2 -0.117 53.4-111.5 -45.4 128.2 127.4 39.5 -7.6 878 420 B F + 0 0 75 27,-1.5 2,-0.3 26,-0.3 3,-0.1 -0.468 42.5 167.6 -68.9 123.9 125.9 36.3 -6.1 879 421 B K > - 0 0 116 -2,-0.3 3,-1.5 1,-0.1 4,-0.0 -0.841 29.4-150.6-141.3 97.6 127.7 33.1 -7.2 880 422 B E G > S+ 0 0 163 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.782 90.7 77.2 -34.3 -38.5 126.7 30.1 -5.1 881 423 B E G 3 S+ 0 0 138 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.895 107.2 23.8 -39.6 -62.0 130.2 28.8 -6.0 882 424 B I G < S+ 0 0 46 -3,-1.5 2,-0.4 1,-0.1 -1,-0.3 -0.236 87.6 111.2-106.5 44.0 132.0 31.1 -3.5 883 425 B Y < + 0 0 38 -3,-1.8 2,-0.2 -5,-0.0 -1,-0.1 -0.506 54.6 111.7-111.9 60.1 129.2 31.7 -0.9 884 426 B N S >> S- 0 0 61 -2,-0.4 3,-1.0 -234,-0.1 4,-0.6 -0.773 86.0 -90.3-127.0 172.0 130.8 29.7 1.9 885 427 B E H >> S+ 0 0 121 1,-0.3 4,-1.3 -2,-0.2 3,-1.0 0.793 118.8 66.8 -53.1 -31.9 132.4 30.3 5.3 886 428 B E H 3> S+ 0 0 123 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.925 86.2 67.6 -56.6 -47.5 135.8 30.7 3.7 887 429 B L H <> S+ 0 0 24 -3,-1.0 4,-1.2 1,-0.2 -1,-0.3 0.824 100.2 52.0 -42.1 -37.9 134.8 33.9 1.9 888 430 B E H XX>S+ 0 0 39 -3,-1.0 3,-1.8 -4,-0.6 4,-1.2 0.996 110.0 44.6 -63.0 -61.2 134.7 35.4 5.3 889 431 B E H 3<5S+ 0 0 167 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.621 109.5 62.0 -58.0 -10.8 138.2 34.3 6.3 890 432 B K H 3<5S+ 0 0 94 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.791 118.3 24.2 -84.6 -31.6 139.1 35.5 2.7 891 433 B V H <<5S- 0 0 4 -3,-1.8 -2,-0.2 -4,-1.2 -1,-0.1 0.230 98.3-134.6-114.2 8.5 138.1 39.1 3.5 892 434 B E T <5S+ 0 0 149 -4,-1.2 -3,-0.2 1,-0.1 -4,-0.1 0.841 80.0 87.5 35.0 46.1 138.7 38.7 7.2 893 435 B A S - 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0 0 18 20,-1.8 3,-0.1 -2,-0.4 21,-0.1 -0.053 23.1-146.2-104.3-152.6 77.0 57.2 98.7 1770 398 D E S S+ 0 0 136 1,-0.3 2,-0.4 20,-0.1 20,-0.1 0.319 72.2 64.1-157.8 -9.8 76.8 59.7 101.6 1771 399 D D S S- 0 0 67 2,-0.1 2,-2.6 3,-0.0 -1,-0.3 -0.976 76.4-123.6-132.6 143.2 79.5 62.2 100.7 1772 400 D I + 0 0 66 -2,-0.4 18,-0.0 -3,-0.1 20,-0.0 -0.229 59.5 146.6 -72.9 49.3 80.0 64.8 97.9 1773 401 D N >> + 0 0 62 -2,-2.6 4,-2.4 1,-0.2 3,-0.7 -0.776 24.2 178.0 -97.9 99.7 83.4 63.2 97.2 1774 402 D P H 3> S+ 0 0 12 0, 0.0 4,-1.1 0, 0.0 5,-0.5 0.973 81.7 58.4 -60.1 -60.7 84.1 63.4 93.4 1775 403 D D H 34 S+ 0 0 111 1,-0.2 4,-0.2 2,-0.1 -2,-0.1 0.677 114.5 46.4 -46.8 -13.4 87.5 61.8 93.5 1776 404 D E H <> S+ 0 0 67 -3,-0.7 4,-2.6 2,-0.1 3,-0.3 0.903 109.0 46.7 -93.9 -60.7 85.4 59.0 95.0 1777 405 D I H X S+ 0 0 3 -4,-2.4 4,-1.1 1,-0.2 3,-0.2 0.955 109.2 53.6 -45.5 -70.8 82.4 58.6 92.8 1778 406 D K H >X S+ 0 0 69 -4,-1.1 4,-1.5 1,-0.3 3,-0.9 0.826 111.9 48.6 -31.3 -49.0 84.3 58.7 89.5 1779 407 D N H 34 S+ 0 0 99 -5,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.968 104.6 55.9 -60.1 -56.5 86.3 55.8 90.9 1780 408 D I H 3< S+ 0 0 35 -4,-2.6 3,-0.4 1,-0.2 5,-0.4 0.601 105.2 58.7 -55.8 -9.4 83.3 53.8 92.1 1781 409 D L H XX S+ 0 0 14 -4,-1.1 2,-3.6 -3,-0.9 4,-3.1 0.953 98.5 51.5 -83.0 -63.4 82.2 54.0 88.4 1782 410 D S T 3< S+ 0 0 118 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 -0.138 119.2 42.0 -69.0 48.8 85.2 52.4 86.7 1783 411 D E T 34 S+ 0 0 152 -2,-3.6 -1,-0.3 -3,-0.4 -2,-0.2 0.238 138.5 3.3-165.6 -15.8 84.7 49.5 89.2 1784 412 D K T <4 S- 0 0 104 -3,-2.5 -3,-0.2 -4,-0.3 -2,-0.2 0.410 80.2-171.6-152.6 -23.1 80.9 49.1 89.3 1785 413 D R < + 0 0 107 -4,-3.1 2,-0.2 -5,-0.4 -18,-0.1 -0.078 38.3 107.3 52.2-151.3 79.4 51.5 86.8 1786 414 D G S S- 0 0 1 -202,-1.0 39,-0.6 -203,-0.1 2,-0.3 -0.517 84.3 -44.4 80.1-154.7 75.6 51.9 86.8 1787 415 D V E -sT17661824c 0 -22,-1.3 -20,-1.9 -2,-0.2 2,-0.4 -0.863 53.1-139.5-115.3 150.2 74.3 55.2 88.2 1788 416 D I E -sT17671823c 0 35,-4.0 35,-2.2 -2,-0.3 2,-0.3 -0.898 9.6-163.2-114.5 138.6 75.3 57.0 91.3 1789 417 D L E +s 1768 0c 0 -22,-1.9 -20,-1.8 -2,-0.4 33,-0.2 -0.871 11.1 176.9-114.4 148.4 73.2 58.7 93.9 1790 418 D V - 0 0 5 -2,-0.3 31,-0.4 -22,-0.2 3,-0.1 -0.981 42.8 -81.9-151.8 139.4 74.5 61.2 96.5 1791 419 D P - 0 0 50 0, 0.0 2,-0.3 0, 0.0 29,-0.2 -0.128 53.5-111.3 -45.8 128.1 72.8 63.3 99.2 1792 420 D F + 0 0 76 27,-1.5 2,-0.3 26,-0.3 3,-0.1 -0.462 42.8 167.4 -68.4 123.4 71.3 66.4 97.7 1793 421 D K > - 0 0 116 -2,-0.3 3,-1.5 1,-0.1 4,-0.0 -0.836 29.3-151.0-141.3 97.2 73.0 69.6 98.7 1794 422 D E G > S+ 0 0 163 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.778 90.6 77.3 -33.8 -38.7 72.1 72.7 96.6 1795 423 D E G 3 S+ 0 0 138 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.898 107.2 23.6 -39.8 -62.0 75.6 73.9 97.5 1796 424 D I G < S+ 0 0 46 -3,-1.5 2,-0.3 1,-0.1 -1,-0.3 -0.237 87.6 111.4-106.7 44.2 77.4 71.7 95.0 1797 425 D Y < + 0 0 39 -3,-1.8 2,-0.2 -5,-0.0 -1,-0.1 -0.506 54.6 112.0-111.9 60.2 74.6 71.0 92.5 1798 426 D N S >> S- 0 0 60 -2,-0.3 3,-1.0 -234,-0.1 4,-0.6 -0.770 86.0 -90.5-126.6 171.9 76.2 73.0 89.6 1799 427 D E H >> S+ 0 0 121 1,-0.3 4,-1.2 -2,-0.2 3,-1.0 0.797 118.8 66.8 -53.1 -32.0 77.8 72.4 86.2 1800 428 D E H 3> S+ 0 0 122 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.923 86.0 67.8 -56.6 -47.0 81.2 72.1 87.9 1801 429 D L H <> S+ 0 0 23 -3,-1.0 4,-1.2 1,-0.2 -1,-0.3 0.832 100.2 52.1 -42.1 -38.4 80.2 68.9 89.7 1802 430 D E H XX>S+ 0 0 38 -3,-1.0 3,-1.9 -4,-0.6 4,-1.3 0.996 109.8 44.6 -62.3 -62.1 80.1 67.3 86.2 1803 431 D E H 3<5S+ 0 0 167 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.618 109.6 62.2 -57.4 -10.5 83.6 68.5 85.3 1804 432 D K H 3<5S+ 0 0 95 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.788 118.1 24.0 -85.0 -31.9 84.5 67.3 88.8 1805 433 D V H <<5S- 0 0 4 -3,-1.9 -2,-0.2 -4,-1.2 -1,-0.1 0.260 98.4-134.2-113.8 7.7 83.5 63.7 88.1 1806 434 D E T <5S+ 0 0 150 -4,-1.3 -3,-0.2 1,-0.1 -4,-0.1 0.843 80.3 87.0 36.1 45.8 84.1 64.0 84.3 1807 435 D A S