==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-MAR-06 2G97 . COMPND 2 MOLECULE: NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.-K.KIM,S.H.EOM . 926 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32361.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 679 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 12.1 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 64 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 254 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 2.8 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 9 3 2 1 3 2 3 3 0 3 2 1 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 0 6 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 0 PARALLEL BRIDGES PER LADDER . 5 4 1 8 3 0 0 0 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 . 4 2 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 9 A F 0 0 121 0, 0.0 2,-0.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 116.8 30.0 110.6 33.7 2 10 A N > - 0 0 8 3,-0.2 3,-0.8 1,-0.1 54,-0.1 -0.857 360.0-168.6-103.9 120.9 33.1 112.8 33.5 3 11 A I G > S+ 0 0 7 -2,-0.6 3,-1.4 52,-0.5 -1,-0.1 0.759 82.8 75.4 -72.4 -27.3 32.9 115.8 31.3 4 12 A L G 3 S+ 0 0 0 1,-0.3 -1,-0.2 51,-0.3 3,-0.1 0.778 107.1 33.2 -56.1 -28.8 36.7 116.3 31.6 5 13 A L G < S+ 0 0 19 -3,-0.8 -1,-0.3 1,-0.1 -3,-0.2 -0.442 91.4 96.6-128.0 60.3 37.0 113.4 29.2 6 14 A A S < S+ 0 0 2 -3,-1.4 126,-0.4 661,-0.1 2,-0.3 -0.177 70.7 77.3-136.7 37.2 34.0 113.8 27.0 7 15 A T S S- 0 0 0 -3,-0.1 660,-0.8 124,-0.1 2,-0.5 -0.843 93.3 -72.4-139.7 174.6 35.6 115.7 24.1 8 16 A D B >> -A 666 0A 2 -2,-0.3 3,-2.9 120,-0.2 4,-0.6 -0.625 49.1-125.4 -73.4 120.3 37.8 115.2 21.1 9 17 A S H >> S+ 0 0 0 656,-2.8 3,-2.0 -2,-0.5 4,-0.5 0.793 104.0 61.4 -31.4 -57.8 41.4 114.5 22.4 10 18 A Y H >4 S+ 0 0 13 1,-0.3 3,-0.7 2,-0.2 680,-0.4 0.699 94.9 64.1 -52.3 -20.2 43.2 117.2 20.4 11 19 A K H X> S+ 0 0 4 -3,-2.9 3,-2.8 1,-0.3 4,-0.8 0.869 86.7 68.9 -71.0 -35.1 41.1 119.8 22.2 12 20 A V H << S+ 0 0 0 -3,-2.0 66,-0.3 -4,-0.6 -1,-0.3 0.801 106.5 44.0 -51.6 -22.9 42.7 118.8 25.4 13 21 A T T X< S+ 0 0 0 -3,-0.7 3,-0.7 -4,-0.5 4,-0.4 0.427 91.2 85.8-102.5 -0.9 45.7 120.4 23.7 14 22 A H G X> S+ 0 0 5 -3,-2.8 3,-2.3 1,-0.2 4,-1.1 0.877 70.5 74.5 -68.7 -37.6 43.9 123.5 22.3 15 23 A Y G 3< S+ 0 0 53 -4,-0.8 -1,-0.2 1,-0.3 3,-0.2 0.777 99.2 47.4 -46.9 -31.5 44.4 125.6 25.4 16 24 A K G <4 S+ 0 0 64 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.686 107.8 59.2 -84.5 -17.5 48.1 126.0 24.5 17 25 A Q T <4 S+ 0 0 0 -3,-2.3 -2,-0.2 -4,-0.4 -1,-0.2 0.646 76.6 98.0 -88.9 -18.4 47.3 126.9 20.9 18 26 A Y S < S- 0 0 7 -4,-1.1 4,-0.1 -3,-0.2 677,-0.1 -0.355 92.4 -82.5 -70.3 154.2 45.0 130.0 21.1 19 27 A P > - 0 0 7 0, 0.0 3,-0.6 0, 0.0 2,-0.2 -0.145 57.2 -98.8 -50.0 152.2 46.7 133.3 20.6 20 28 A P T 3 S+ 0 0 71 0, 0.0 -4,-0.0 0, 0.0 -3,-0.0 -0.529 108.5 32.4 -74.5 148.4 48.4 134.5 23.8 21 29 A N T 3 S+ 0 0 117 1,-0.2 367,-3.4 -2,-0.2 2,-0.7 0.850 79.2 157.5 74.4 36.5 46.2 137.0 25.7 22 30 A T E < +B 387 0B 10 -3,-0.6 101,-0.3 365,-0.2 -1,-0.2 -0.856 14.1 169.1 -97.5 116.7 43.0 135.5 24.6 23 31 A S E + 0 0 36 363,-2.4 2,-0.4 -2,-0.7 -1,-0.2 0.724 63.8 32.8 -96.5 -27.8 40.1 136.4 27.0 24 32 A K E -B 386 0B 46 362,-0.9 362,-1.9 97,-0.1 2,-0.5 -0.994 48.1-174.6-140.0 140.7 37.2 135.3 24.9 25 33 A V E -B 385 0B 0 -2,-0.4 2,-0.6 360,-0.2 92,-0.5 -0.924 16.9-169.4-132.0 100.2 36.4 132.6 22.4 26 34 A Y E +B 384 0B 10 358,-2.5 358,-2.0 -2,-0.5 357,-1.9 -0.841 9.7 179.5 -96.2 120.2 32.8 133.1 21.0 27 35 A S E -BC 382 115B 0 88,-3.9 88,-4.3 -2,-0.6 355,-0.3 -0.934 7.8-166.4-125.7 149.6 31.5 130.1 19.0 28 36 A Y E -BC 381 114B 2 353,-2.5 353,-0.9 -2,-0.3 2,-0.3 -0.644 11.8-135.1-122.7-180.0 28.3 129.5 17.2 29 37 A F E +BC 380 113B 0 84,-1.5 83,-2.4 351,-0.2 84,-0.9 -0.999 28.4 155.4-140.2 138.7 26.4 126.6 15.6 30 38 A E E -BC 379 111B 4 349,-2.5 349,-3.3 -2,-0.3 2,-0.7 -0.990 46.5-119.9-158.6 164.8 24.5 126.4 12.3 31 39 A C E -B 378 0B 2 79,-0.6 78,-0.5 -2,-0.3 347,-0.3 -0.663 45.3-143.0-109.1 71.1 23.3 124.1 9.5 32 40 A R 0 0 26 345,-1.1 76,-0.1 -2,-0.7 371,-0.0 0.096 360.0 360.0 -34.8 140.1 25.2 125.7 6.6 33 41 A E 0 0 150 75,-0.1 -1,-0.1 74,-0.1 76,-0.1 -0.106 360.0 360.0 -88.8 360.0 23.4 125.9 3.3 34 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 35 54 A Y 0 0 73 0, 0.0 73,-0.2 0, 0.0 110,-0.0 0.000 360.0 360.0 360.0 53.2 16.0 120.8 3.7 36 55 A E + 0 0 167 1,-0.1 72,-1.7 71,-0.1 2,-0.4 0.651 360.0 34.9 -73.4 -15.2 15.6 124.5 3.6 37 56 A E E S-H 107 0C 52 70,-0.3 2,-0.3 107,-0.0 -1,-0.1 -1.000 70.5-155.6-142.2 141.6 14.6 124.7 7.2 38 57 A T E -H 106 0C 1 68,-2.9 68,-1.8 -2,-0.4 2,-0.7 -0.807 20.5-124.1-117.1 156.0 15.6 122.8 10.3 39 58 A V E -H 105 0C 0 101,-0.5 2,-0.9 -2,-0.3 105,-0.2 -0.882 25.9-143.5 -94.5 114.6 13.9 122.1 13.6 40 59 A F + 0 0 3 64,-2.8 63,-3.4 -2,-0.7 64,-0.4 -0.725 43.8 144.8 -81.2 111.5 16.3 123.3 16.3 41 60 A Y + 0 0 1 -2,-0.9 102,-0.1 95,-0.2 103,-0.1 -0.979 34.1 37.9-153.8 137.3 15.8 120.7 19.0 42 61 A G >> + 0 0 2 -2,-0.3 4,-1.4 97,-0.1 3,-1.2 0.156 69.1 107.0 118.5 -23.0 17.8 118.8 21.6 43 62 A L H 3> S+ 0 0 2 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.918 78.9 61.0 -55.8 -42.7 20.3 121.3 23.1 44 63 A Q H 3> S+ 0 0 9 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.797 102.2 54.1 -53.1 -32.6 18.2 121.5 26.2 45 64 A Y H <> S+ 0 0 11 -3,-1.2 4,-2.9 2,-0.2 5,-0.3 0.982 109.7 42.7 -64.9 -61.1 18.8 117.7 26.7 46 65 A I H X>S+ 0 0 6 -4,-1.4 4,-1.4 1,-0.2 5,-1.2 0.736 112.4 57.1 -60.0 -23.6 22.6 117.8 26.5 47 66 A L H <>S+ 0 0 5 -4,-1.9 5,-3.8 -5,-0.2 4,-0.3 0.921 114.0 36.0 -74.3 -44.4 22.6 121.0 28.7 48 67 A N H <5S+ 0 0 28 -4,-1.6 -2,-0.2 -3,-0.2 -3,-0.1 0.920 122.8 42.9 -74.4 -47.1 20.7 119.3 31.6 49 68 A K H <5S+ 0 0 90 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.917 135.6 7.6 -69.3 -42.6 22.2 115.9 31.4 50 69 A Y T <5S+ 0 0 12 -4,-1.4 -3,-0.2 -5,-0.3 -2,-0.1 0.762 128.1 38.9-112.3 -31.3 25.9 116.9 30.8 51 70 A L T - 0 0 27 -2,-0.4 4,-2.9 1,-0.1 3,-0.5 -0.989 49.1-111.6-147.2 152.1 35.4 117.4 40.9 58 77 A K H > S+ 0 0 158 -2,-0.3 4,-2.0 1,-0.3 5,-0.2 0.919 124.1 49.5 -45.8 -46.3 38.8 116.6 42.4 59 78 A E H > S+ 0 0 133 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.838 111.2 47.4 -63.1 -37.4 38.1 113.1 41.3 60 79 A K H > S+ 0 0 47 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.810 111.5 49.9 -77.5 -29.0 37.2 114.1 37.8 61 80 A I H X S+ 0 0 2 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.854 115.2 45.0 -75.1 -33.7 40.2 116.3 37.4 62 81 A Q H X S+ 0 0 74 -4,-2.0 4,-2.3 -5,-0.4 -2,-0.2 0.861 109.9 53.2 -76.6 -38.0 42.4 113.5 38.6 63 82 A E H X S+ 0 0 87 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.944 109.3 50.8 -62.1 -45.6 40.8 110.9 36.4 64 83 A A H >X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 3,-0.9 0.976 109.9 47.6 -53.7 -63.1 41.3 113.0 33.4 65 84 A K H 3X S+ 0 0 50 -4,-1.8 4,-1.3 1,-0.3 -1,-0.2 0.890 110.6 53.1 -45.4 -49.8 45.0 113.6 34.0 66 85 A E H 3X S+ 0 0 120 -4,-2.3 4,-1.0 2,-0.2 -1,-0.3 0.842 117.2 37.5 -58.0 -37.0 45.6 109.9 34.7 67 86 A V H XX S+ 0 0 13 -4,-1.9 4,-3.6 -3,-0.9 3,-1.1 0.966 115.3 49.0 -79.6 -60.6 44.0 109.0 31.4 68 87 A Y H 3X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.3 6,-0.5 0.686 107.5 62.0 -53.6 -14.6 45.2 111.8 29.2 69 88 A R H 3<>S+ 0 0 127 -4,-1.3 5,-1.0 -5,-0.5 -1,-0.3 0.915 113.4 31.5 -75.9 -45.3 48.6 110.8 30.7 70 89 A E H X<5S+ 0 0 62 -3,-1.1 3,-0.6 -4,-1.0 -2,-0.2 0.920 121.0 53.1 -75.5 -45.7 48.5 107.3 29.2 71 90 A H H 3<5S+ 0 0 1 -4,-3.6 616,-1.4 1,-0.2 -3,-0.2 0.905 120.7 30.2 -56.6 -48.7 46.5 108.4 26.2 72 91 A F T 3<5S- 0 0 9 -4,-1.7 -1,-0.2 2,-0.4 -2,-0.2 0.362 99.0-129.7 -93.5 3.4 48.9 111.2 25.1 73 92 A Q T < 5S+ 0 0 112 -3,-0.6 2,-0.3 -4,-0.3 -3,-0.2 0.887 88.3 57.6 49.2 37.5 52.0 109.5 26.5 74 93 A D S + 0 0 12 -66,-0.3 4,-1.6 1,-0.2 5,-0.2 -0.619 47.2 153.9 -90.1 77.4 45.2 121.2 31.4 79 98 A E H > S+ 0 0 58 -2,-1.4 4,-2.7 1,-0.2 5,-0.2 0.811 71.9 63.0 -71.2 -30.4 44.7 120.2 35.0 80 99 A R H > S+ 0 0 207 -3,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.911 107.6 39.0 -60.3 -48.3 45.7 123.8 35.9 81 100 A G H > S+ 0 0 13 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.837 117.7 48.3 -74.5 -34.7 42.8 125.4 34.1 82 101 A W H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 3,-0.2 0.927 108.4 52.7 -70.9 -45.0 40.2 122.8 35.1 83 102 A N H X S+ 0 0 46 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.782 104.8 59.8 -60.6 -27.3 41.2 122.9 38.7 84 103 A Y H X S+ 0 0 68 -4,-0.8 4,-2.3 -5,-0.2 5,-0.4 0.931 104.0 47.6 -66.7 -46.1 40.6 126.6 38.5 85 104 A I H X S+ 0 0 0 -4,-1.3 4,-1.6 -3,-0.2 6,-1.1 0.868 108.0 58.9 -62.1 -36.5 37.0 126.2 37.4 86 105 A L H <>S+ 0 0 17 -4,-1.9 5,-0.7 4,-0.2 -1,-0.2 0.950 116.5 29.2 -58.7 -52.5 36.6 123.8 40.3 87 106 A E H ><5S+ 0 0 147 -4,-1.9 3,-1.1 3,-0.2 -2,-0.2 0.973 121.0 48.2 -74.2 -58.1 37.6 126.2 43.0 88 107 A K H 3<5S+ 0 0 115 -4,-2.3 -3,-0.2 1,-0.3 -2,-0.2 0.890 131.5 17.5 -51.7 -48.3 36.5 129.6 41.6 89 108 A Y T ><5S- 0 0 70 -4,-1.6 3,-3.0 -5,-0.4 -1,-0.3 -0.282 104.7-108.1-123.6 50.1 33.0 128.4 40.6 90 109 A D T < 5S- 0 0 102 -3,-1.1 -4,-0.2 1,-0.3 -3,-0.2 0.791 80.1 -55.9 24.5 55.9 32.5 125.2 42.6 91 110 A G T 3 - 0 0 31 0, 0.0 3,-2.3 0, 0.0 -61,-0.2 -0.115 57.3 -89.3 -46.8 134.1 13.7 128.4 21.4 102 121 A E T 3 S+ 0 0 6 1,-0.3 -61,-0.2 -3,-0.1 358,-0.2 -0.130 114.7 27.5 -47.8 136.2 13.5 124.6 21.1 103 122 A G T 3 S+ 0 0 0 -63,-3.4 -1,-0.3 1,-0.3 -62,-0.1 0.157 84.3 149.9 96.0 -18.0 11.3 123.5 18.2 104 123 A S < - 0 0 15 -3,-2.3 -64,-2.8 -64,-0.4 2,-1.0 -0.165 44.3-138.3 -52.1 135.0 12.0 126.6 16.1 105 124 A V E +H 39 0C 24 355,-0.3 -66,-0.2 -66,-0.2 -1,-0.1 -0.794 33.1 172.2-101.1 94.8 12.0 126.1 12.4 106 125 A I E -H 38 0C 0 -68,-1.8 -68,-2.9 -2,-1.0 3,-0.1 -0.866 30.1-118.3-107.4 132.6 14.9 128.1 11.1 107 126 A P E > -H 37 0C 33 0, 0.0 3,-1.1 0, 0.0 -70,-0.3 -0.280 45.8 -77.5 -67.3 152.1 16.1 128.1 7.5 108 127 A R T 3 S+ 0 0 40 -72,-1.7 -76,-0.2 1,-0.2 -75,-0.1 -0.072 113.4 38.3 -48.6 140.7 19.7 126.9 6.6 109 128 A G T 3 S+ 0 0 6 -78,-0.5 2,-0.2 1,-0.3 -1,-0.2 0.322 88.6 124.7 98.6 -4.2 22.5 129.3 7.2 110 129 A N < - 0 0 13 -3,-1.1 2,-0.6 -79,-0.2 -79,-0.6 -0.592 68.2-111.5 -95.1 151.2 21.2 130.6 10.5 111 130 A V E +C 30 0B 0 -2,-0.2 -81,-0.2 1,-0.2 3,-0.1 -0.670 33.8 176.6 -76.4 119.1 22.7 130.8 13.9 112 131 A L E - 0 0 2 -83,-2.4 -12,-2.6 -2,-0.6 2,-0.3 0.769 65.3 -11.8 -94.8 -33.1 20.8 128.4 16.0 113 132 A F E -CD 29 99B 0 -84,-0.9 -84,-1.5 -14,-0.2 -1,-0.4 -0.968 59.4-148.3-164.8 152.8 22.8 128.8 19.2 114 133 A T E -CD 28 98B 0 -16,-2.3 -16,-1.4 -2,-0.3 2,-0.4 -0.919 4.5-158.1-127.5 154.6 26.1 130.3 20.4 115 134 A V E +CD 27 97B 0 -88,-4.3 -88,-3.9 -2,-0.3 2,-0.3 -0.999 18.5 160.2-135.3 132.4 28.6 129.4 23.1 116 135 A E E - D 0 96B 20 -20,-2.1 -20,-2.9 -2,-0.4 2,-0.4 -0.968 40.4-105.5-146.9 159.3 31.2 131.6 24.8 117 136 A N E - D 0 95B 0 -92,-0.5 -22,-0.3 -2,-0.3 -92,-0.1 -0.749 18.8-163.2 -89.4 130.6 33.3 131.7 28.0 118 137 A T S S+ 0 0 43 -24,-3.0 -23,-0.2 -2,-0.4 -1,-0.1 0.668 78.3 61.6 -85.9 -18.9 32.0 134.1 30.7 119 138 A D S > S- 0 0 7 -25,-1.1 3,-3.0 3,-0.1 -1,-0.2 -0.943 81.1-138.2-115.0 114.7 35.3 134.0 32.6 120 139 A P G > S+ 0 0 64 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.631 101.8 57.3 -40.4 -27.3 38.5 135.2 30.7 121 140 A E G 3 S+ 0 0 120 1,-0.2 3,-0.4 2,-0.1 -97,-0.1 0.746 97.2 63.4 -81.8 -21.0 40.6 132.4 32.1 122 141 A C G X> + 0 0 0 -3,-3.0 3,-1.5 1,-0.2 4,-0.8 -0.116 59.5 129.7 -92.8 36.1 38.3 129.8 30.6 123 142 A Y T <4 S+ 0 0 48 -3,-0.6 4,-0.3 1,-0.3 -1,-0.2 0.639 73.8 54.7 -63.5 -12.7 38.9 130.9 27.0 124 143 A W T 3> S+ 0 0 11 -3,-0.4 4,-0.8 2,-0.1 -1,-0.3 0.578 91.1 71.6 -97.4 -12.7 39.6 127.2 26.3 125 144 A L H <> S+ 0 0 0 -3,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.903 83.1 69.7 -71.0 -42.5 36.3 125.9 27.7 126 145 A T H >< S+ 0 0 0 -4,-0.8 3,-0.6 1,-0.3 -1,-0.2 0.892 110.8 29.1 -39.4 -64.8 34.1 127.2 24.8 127 146 A N H >> S+ 0 0 1 -4,-0.3 3,-2.1 1,-0.2 4,-0.5 0.685 106.3 76.5 -75.3 -18.9 35.4 124.9 22.1 128 147 A W H >< S+ 0 0 9 -4,-0.8 3,-0.5 1,-0.3 4,-0.4 0.918 102.3 41.2 -54.9 -41.6 36.2 122.2 24.7 129 148 A I T S+ 0 0 10 -3,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.921 86.0 46.9 -63.8 -40.2 32.0 121.9 21.0 131 150 A T H < S+ 0 0 0 -4,-2.1 3,-0.8 1,-0.2 -1,-0.3 0.776 104.7 61.8 -69.0 -29.6 27.3 120.1 22.4 134 153 A V H >< S+ 0 0 0 -4,-2.1 3,-3.3 -3,-0.5 4,-0.2 0.825 80.6 82.1 -68.6 -31.2 27.6 119.3 18.6 135 154 A Q T 3< S+ 0 0 4 -4,-1.6 3,-0.4 -3,-0.4 -1,-0.3 0.376 71.4 83.0 -56.4 8.5 25.9 115.9 19.1 136 155 A S T <> + 0 0 0 -3,-0.8 4,-2.1 1,-0.2 -1,-0.3 0.639 65.8 84.0 -85.9 -16.2 22.7 117.9 19.0 137 156 A W H <> S+ 0 0 0 -3,-3.3 4,-2.9 1,-0.2 -1,-0.2 0.882 87.8 58.4 -50.8 -34.6 23.0 117.8 15.2 138 157 A Y H > S+ 0 0 0 -3,-0.4 4,-2.7 506,-0.2 5,-0.3 0.995 106.0 39.1 -61.3 -72.3 21.4 114.4 15.7 139 158 A P H > S+ 0 0 4 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.784 118.7 52.9 -49.9 -27.6 18.1 115.2 17.5 140 159 A I H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -101,-0.5 0.940 111.2 45.3 -70.3 -50.9 17.9 118.2 15.2 141 160 A T H X S+ 0 0 0 -4,-2.9 4,-3.1 -5,-0.3 5,-0.4 0.972 115.8 44.4 -56.9 -60.8 18.4 116.1 12.1 142 161 A V H X S+ 0 0 0 -4,-2.7 4,-3.8 1,-0.3 5,-0.4 0.974 115.0 51.0 -47.3 -60.5 15.9 113.4 13.2 143 162 A A H X S+ 0 0 0 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99.4 61.1 -48.9 -24.0 12.3 108.6 23.8 205 224 A I H X> S+ 0 0 1 -3,-2.1 4,-1.9 -4,-0.4 3,-0.6 0.995 100.2 48.2 -68.2 -63.3 9.4 109.0 26.2 206 225 A A H 3X S+ 0 0 48 -4,-0.9 4,-3.6 1,-0.3 5,-0.3 0.912 109.8 54.5 -39.3 -61.7 11.2 109.0 29.5 207 226 A L H 3X>S+ 0 0 17 -4,-1.4 4,-3.5 1,-0.2 5,-0.6 0.868 109.2 49.6 -40.4 -49.7 13.7 111.5 28.2 208 227 A I H S+ 0 0 0 -4,-1.4 4,-3.7 -3,-0.6 5,-3.7 0.984 114.1 40.8 -57.8 -64.7 10.9 113.8 27.3 209 228 A K H <5S+ 0 0 95 -4,-1.9 -1,-0.2 3,-0.3 -2,-0.2 0.889 121.9 47.0 -50.8 -40.3 9.1 113.7 30.6 210 229 A K H <5S+ 0 0 151 -4,-3.6 -2,-0.2 -5,-0.3 -1,-0.2 0.845 129.4 16.8 -72.0 -40.2 12.5 113.9 32.3 211 230 A Y H <5S+ 0 0 40 -4,-3.5 -3,-0.2 -5,-0.3 -2,-0.2 0.625 142.4 18.8-110.5 -19.7 14.2 116.7 30.4 212 231 A Y T < - 0 0 8 30,-0.1 3,-0.7 -2,-0.1 4,-0.4 -0.877 40.2 -92.1-132.1 165.1 6.1 90.3 15.0 228 247 A H T >> S+ 0 0 20 -2,-0.3 4,-2.6 1,-0.3 3,-1.0 0.822 124.8 54.4 -49.6 -36.0 7.5 87.4 13.0 229 248 A S H 3> S+ 0 0 1 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 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-1,-0.2 0.755 114.1 59.2 -80.1 -25.1 48.7 99.2 -0.2 622 176 B L H >X>S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 3,-1.0 0.935 110.9 44.1 -67.2 -42.7 51.0 100.0 2.7 623 177 B L H 3X5S+ 0 0 84 -4,-2.7 2,-1.0 -5,-0.3 4,-1.0 0.959 111.0 52.6 -64.1 -51.4 52.7 96.7 2.1 624 178 B E H 3<5S+ 0 0 85 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.1 -0.041 122.7 32.1 -76.1 36.4 52.7 97.0 -1.6 625 179 B T H <45S+ 0 0 0 -2,-1.0 162,-0.5 -3,-1.0 -2,-0.2 0.431 129.5 25.3-161.2 -28.0 54.4 100.4 -1.2 626 180 B S H <5S- 0 0 10 -4,-2.4 159,-0.3 2,-0.3 -3,-0.2 0.628 96.9-122.4-114.0 -34.9 56.7 100.5 1.9 627 181 B G S < + 0 0 70 -2,-0.2 3,-1.4 -3,-0.1 4,-0.3 -0.039 56.2 148.5-124.5 29.6 53.0 96.9 7.8 630 184 B D T 3 S+ 0 0 114 1,-0.2 -2,-0.1 2,-0.1 4,-0.0 -0.473 71.5 11.4 -70.9 133.4 54.5 99.4 10.2 631 185 B G T > S+ 0 0 39 -2,-0.2 3,-2.0 2,-0.0 -1,-0.2 0.387 86.7 128.4 84.0 -4.0 52.2 102.1 11.5 632 186 B L G X + 0 0 11 -3,-1.4 3,-2.5 1,-0.3 2,-0.6 0.941 65.5 60.7 -48.4 -55.2 49.2 100.2 10.1 633 187 B E G 3 S+ 0 0 79 -4,-0.3 29,-2.7 1,-0.3 30,-0.4 0.270 108.8 45.5 -61.0 17.5 47.4 100.3 13.4 634 188 B Y G < S+ 0 0 79 -3,-2.0 -1,-0.3 -2,-0.6 -2,-0.2 0.091 80.2 98.6-144.7 21.4 47.5 104.1 13.2 635 189 B K S < S+ 0 0 15 -3,-2.5 191,-2.9 1,-0.2 2,-0.4 0.549 83.9 48.0 -89.2 -9.4 46.4 104.7 9.6 636 190 B L E S-f 826 0P 0 -4,-0.3 2,-0.5 189,-0.2 27,-0.3 -0.852 72.1-166.2-135.0 98.8 42.8 105.5 10.5 637 191 B H E -f 827 0P 25 189,-3.1 191,-1.3 -2,-0.4 2,-0.7 -0.728 25.3-121.5 -89.6 126.5 42.3 107.9 13.4 638 192 B D E +fg 828 664P 0 25,-2.2 27,-2.0 -2,-0.5 28,-0.3 -0.550 40.9 161.8 -70.8 110.1 38.7 108.1 14.8 639 193 B F > + 0 0 43 189,-3.7 3,-0.6 -2,-0.7 190,-0.3 0.132 45.0 101.7-110.8 15.2 37.4 111.6 14.5 640 194 B G T 3> + 0 0 0 188,-0.5 4,-1.6 189,-0.3 3,-0.3 0.378 41.5 97.5 -87.3 6.9 33.8 110.8 14.9 641 195 B Y T 34 S+ 0 0 2 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.911 91.4 48.9 -56.7 -40.1 33.1 111.8 18.6 642 196 B R T <4 S+ 0 0 38 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.795 115.7 45.8 -65.6 -33.3 31.7 115.0 17.1 643 197 B G T 4 S+ 0 0 1 -3,-0.3 -270,-0.3 -4,-0.2 -2,-0.2 0.573 82.5 104.1 -94.5 -11.2 29.6 113.0 14.6 644 198 B V S < S- 0 0 0 -4,-1.6 -506,-0.2 -3,-0.3 190,-0.1 -0.349 75.9-116.8 -71.8 155.1 27.9 110.2 16.6 645 199 B S S S- 0 0 0 -274,-0.1 2,-0.3 -507,-0.1 -1,-0.1 0.707 87.9 -4.2 -63.8 -23.1 24.2 110.4 17.4 646 200 B S S > S- 0 0 1 1,-0.1 4,-1.5 -508,-0.1 -2,-0.1 -0.939 73.9 -97.3-158.0 177.8 24.8 110.4 21.2 647 201 B Q H > S+ 0 0 12 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.946 118.8 52.5 -67.2 -54.6 27.4 110.1 23.9 648 202 B E H > S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.734 106.7 58.2 -56.1 -25.2 26.9 106.4 24.7 649 203 B T H > S+ 0 0 0 2,-0.2 4,-4.0 1,-0.2 5,-0.3 0.976 99.8 52.7 -70.3 -57.0 27.4 105.8 21.0 650 204 B A H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 5,-0.4 0.875 109.3 53.5 -45.5 -41.6 30.8 107.3 20.7 651 205 B G H X S+ 0 0 7 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.988 117.6 33.7 -56.8 -62.7 31.8 105.0 23.6 652 206 B I H X S+ 0 0 12 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.934 121.6 49.1 -58.2 -52.5 30.6 101.9 21.9 653 207 B G H >X S+ 0 0 0 -4,-4.0 3,-1.9 1,-0.2 4,-1.6 0.982 111.9 46.6 -51.7 -68.2 31.5 103.1 18.4 654 208 B A H 3X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.3 -1,-0.2 0.831 109.0 57.2 -44.8 -38.2 35.0 104.2 19.3 655 209 B S H 3< S+ 0 0 2 -4,-2.0 4,-0.5 -5,-0.4 -1,-0.3 0.851 104.6 51.3 -66.6 -29.7 35.5 100.8 21.1 656 210 B A H << S+ 0 0 0 -3,-1.9 4,-0.3 -4,-1.6 3,-0.3 0.811 110.8 49.3 -74.8 -28.4 34.7 98.9 17.9 657 211 B H H >X S+ 0 0 0 -4,-1.6 3,-2.7 1,-0.2 4,-1.6 0.947 102.8 59.5 -72.5 -48.8 37.3 101.0 16.1 658 212 B L T 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.635 91.9 70.7 -55.1 -15.8 40.0 100.4 18.7 659 213 B V T 34 S+ 0 0 5 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.2 0.799 113.2 27.0 -71.1 -26.9 39.6 96.7 18.0 660 214 B N T <4 S+ 0 0 3 -3,-2.7 2,-0.3 -4,-0.3 -2,-0.2 0.642 132.0 18.0-109.2 -21.7 41.2 97.3 14.6 661 215 B F < - 0 0 2 -4,-1.6 -27,-0.2 -27,-0.1 -28,-0.1 -0.835 57.3-138.8-140.4 176.7 43.4 100.4 15.2 662 216 B K S S+ 0 0 35 -29,-2.7 24,-4.0 -2,-0.3 2,-0.7 0.358 71.5 100.8-121.1 0.1 44.9 102.4 18.1 663 217 B G B +l 686 0Q 0 -30,-0.4 -25,-2.2 -27,-0.3 2,-0.3 -0.806 43.9 144.9 -95.2 113.7 44.3 105.9 16.9 664 218 B T B -g 638 0P 0 22,-2.0 -25,-0.1 -2,-0.7 -27,-0.1 -0.991 36.6-175.0-150.9 138.5 41.3 107.6 18.5 665 219 B D S S+ 0 0 10 -27,-2.0 -656,-2.8 -2,-0.3 2,-1.8 0.415 70.0 97.7-105.3 -6.5 40.3 111.1 19.6 666 220 B T B >> -A 8 0A 0 -28,-0.3 3,-1.6 1,-0.2 4,-0.5 -0.538 55.3-174.4 -85.9 72.7 37.0 109.8 21.1 667 221 B V H >> S+ 0 0 3 -2,-1.8 3,-1.2 -660,-0.8 4,-1.0 0.782 72.6 73.5 -33.0 -46.3 38.2 109.5 24.7 668 222 B A H 3> S+ 0 0 18 1,-0.3 4,-1.3 -661,-0.2 3,-0.4 0.835 86.8 59.0 -39.3 -55.8 34.9 107.9 25.6 669 223 B G H <> S+ 0 0 0 -3,-1.6 4,-1.7 -19,-0.3 -1,-0.3 0.820 98.4 58.7 -49.0 -40.9 35.6 104.5 23.9 670 224 B I H S+ 0 0 0 -4,-1.7 5,-4.2 -3,-0.4 4,-3.7 0.987 111.0 45.7 -63.5 -59.5 37.0 99.0 27.2 674 228 B K H <5S+ 0 0 90 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.713 119.9 45.3 -57.8 -19.7 38.8 99.2 30.5 675 229 B K H <5S+ 0 0 141 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.801 128.8 19.1 -95.1 -32.1 35.3 98.9 32.1 676 230 B Y H <5S+ 0 0 33 -4,-2.8 -3,-0.2 -3,-0.3 -2,-0.2 0.522 142.7 13.9-116.5 -9.1 33.8 96.1 30.1 677 231 B Y T <5S- 0 0 14 -4,-3.7 242,-0.6 -5,-0.3 243,-0.3 0.522 89.9-146.8-134.3 -32.0 36.7 94.3 28.4 678 232 B G < - 0 0 13 -5,-4.2 241,-1.9 240,-0.2 242,-0.5 0.490 2.1-134.4 68.6 143.6 39.8 95.5 30.2 679 233 B T - 0 0 22 240,-0.2 -1,-0.1 239,-0.2 -2,-0.0 -0.999 20.4-176.4-134.2 133.0 43.2 96.0 28.7 680 234 B K + 0 0 159 -2,-0.4 -1,-0.1 3,-0.1 -2,-0.0 0.656 64.8 101.1 -96.3 -20.9 46.6 94.9 30.1 681 235 B D S S- 0 0 53 1,-0.1 -2,-0.1 2,-0.0 239,-0.0 -0.032 80.9-122.4 -55.8 160.4 48.2 96.6 27.2 682 236 B P S S+ 0 0 87 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.992 96.9 26.1 -72.9 -63.1 49.8 100.1 27.8 683 237 B V + 0 0 10 1,-0.2 3,-0.2 -611,-0.0 -3,-0.1 -0.777 57.1 173.4-106.3 89.3 47.9 102.3 25.2 684 238 B P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.769 86.1 12.5 -64.4 -20.5 44.5 100.8 24.4 685 239 B G S S- 0 0 0 -3,-0.1 2,-0.2 2,-0.0 -22,-0.2 -0.874 78.5-161.6-158.2 120.7 44.0 104.1 22.4 686 240 B Y B +l 663 0Q 51 -24,-4.0 -22,-2.0 -2,-0.3 2,-0.3 -0.669 10.5 173.2-106.3 158.8 46.6 106.6 21.5 687 241 B S - 0 0 0 -616,-1.4 -22,-0.1 -2,-0.2 3,-0.0 -0.926 16.4-149.5-164.4 137.7 46.4 110.3 20.3 688 242 B V - 0 0 25 -2,-0.3 32,-0.1 1,-0.1 -675,-0.1 -0.644 40.4 -86.6-104.1 162.9 48.9 113.1 19.6 689 243 B P + 0 0 5 0, 0.0 32,-1.9 0, 0.0 2,-0.3 -0.405 53.5 179.9 -69.8 149.5 48.2 116.8 20.1 690 244 B A B -h 721 0P 9 -680,-0.4 32,-0.2 30,-0.2 2,-0.2 -0.984 26.7-114.6-148.5 159.5 46.6 118.6 17.1 691 245 B A - 0 0 0 30,-2.1 2,-0.3 -2,-0.3 32,-0.1 -0.580 24.8-164.6 -91.4 156.4 45.3 121.9 15.9 692 246 B E > - 0 0 6 -2,-0.2 4,-0.6 -682,-0.1 5,-0.2 -0.828 39.1 -94.9-130.4 169.5 41.7 122.6 15.1 693 247 B H H >> S+ 0 0 19 -2,-0.3 4,-2.7 1,-0.2 3,-0.8 0.838 120.8 53.8 -59.3 -35.9 40.2 125.5 13.2 694 248 B S H 3> S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.947 103.7 56.0 -64.7 -46.2 39.5 127.7 16.2 695 249 B T H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.602 120.6 30.9 -63.9 -10.1 43.1 127.4 17.5 696 250 B I H X< S+ 0 0 0 -3,-0.8 3,-2.2 -4,-0.6 4,-0.2 0.779 116.8 49.9-110.2 -56.4 44.3 128.8 14.1 697 251 B T H >< S+ 0 0 3 -4,-2.7 3,-1.5 1,-0.3 -302,-0.3 0.711 99.1 70.9 -57.8 -22.3 41.7 131.1 12.7 698 252 B A T 3< S+ 0 0 1 -4,-1.8 -1,-0.3 -5,-0.3 -3,-0.1 0.730 87.5 63.7 -67.7 -23.5 41.6 132.9 16.1 699 253 B W T < S- 0 0 39 -3,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.570 121.2-104.2 -76.4 -8.5 45.0 134.3 15.3 700 254 B G X - 0 0 18 -3,-1.5 3,-2.5 -4,-0.2 7,-0.2 0.206 27.2 -88.7 93.6 142.0 43.4 136.1 12.4 701 255 B K G > S+ 0 0 109 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.894 127.5 55.3 -47.9 -48.5 43.6 135.3 8.7 702 256 B D G 3 S+ 0 0 140 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.338 107.5 50.8 -70.9 6.7 46.7 137.4 8.4 703 257 B H G <> + 0 0 94 -3,-2.5 4,-2.2 -7,-0.1 -1,-0.3 0.046 63.3 121.0-132.5 26.8 48.5 135.5 11.2 704 258 B E H <> S+ 0 0 9 -3,-1.4 4,-2.9 1,-0.2 5,-0.2 0.888 81.4 52.4 -57.5 -36.5 48.1 131.9 10.1 705 259 B K H > S+ 0 0 84 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.933 105.2 52.7 -64.2 -47.2 51.8 131.7 10.1 706 260 B D H > S+ 0 0 55 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.881 113.1 46.9 -55.5 -37.6 52.0 133.1 13.7 707 261 B A H >X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 3,-0.6 0.934 111.3 48.3 -70.5 -49.5 49.6 130.3 14.6 708 262 B F H 3X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.3 5,-0.2 0.941 113.3 48.2 -56.8 -49.2 51.4 127.5 12.8 709 263 B E H 3X S+ 0 0 70 -4,-3.0 4,-0.6 1,-0.2 -1,-0.3 0.660 110.0 54.1 -67.5 -16.8 54.7 128.5 14.3 710 264 B H H < S+ 0 0 71 -4,-0.6 3,-1.1 -5,-0.2 -2,-0.2 0.899 107.7 50.9 -74.3 -43.4 56.7 125.2 19.1 714 268 B Q H 3< S+ 0 0 61 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.824 127.1 27.1 -64.1 -32.1 54.3 124.2 21.9 715 269 B F T 3< S+ 0 0 7 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 -0.348 78.4 129.3-126.9 51.1 54.6 120.6 20.7 716 270 B S S < S+ 0 0 67 -3,-1.1 33,-0.4 1,-0.2 -1,-0.1 0.752 76.8 50.7 -74.9 -25.8 58.0 120.6 19.1 717 271 B S S S+ 0 0 92 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.746 110.5 49.5 -84.6 -27.1 58.9 117.5 21.1 718 272 B V S S- 0 0 32 34,-0.1 34,-0.2 1,-0.0 2,-0.2 -0.829 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