==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-JUL-08 2VZ6 . COMPND 2 MOLECULE: CALCIUM CALMODULIN DEPENDENT PROTEIN KINASE TYPE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.C.W.PIKE,P.RELLOS,O.KING,E.SALAH,E.PARIZOTTO,O.FEDOROV,L.S . 585 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 403 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 38 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 8 3 2 0 0 0 5 0 0 0 0 1 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 3 2 0 3 2 2 1 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 . 2 0 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 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 -5 A L 0 0 120 0, 0.0 4,-0.4 0, 0.0 73,-0.1 0.000 360.0 360.0 360.0 -48.8 73.2 72.3 25.0 2 -4 A Y > + 0 0 140 2,-0.2 4,-0.6 1,-0.1 72,-0.1 0.797 360.0 46.0 -91.2 -36.5 71.0 70.7 27.7 3 -3 A F H >> S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 3,-1.5 0.931 110.7 54.0 -69.7 -48.8 68.3 68.7 25.9 4 -2 A Q H 34 S+ 0 0 77 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.716 101.2 64.7 -57.1 -24.3 70.8 67.1 23.5 5 -1 A S H 34 S+ 0 0 89 -4,-0.4 -1,-0.3 1,-0.1 -2,-0.2 0.835 116.4 23.2 -61.9 -35.6 72.6 66.1 26.7 6 0 A M H << S+ 0 0 59 -3,-1.5 20,-1.1 -4,-0.6 2,-0.4 0.729 119.4 47.4-110.6 -33.0 69.7 63.8 27.8 7 13 A Y E < -A 25 0A 7 -4,-2.5 2,-0.4 18,-0.2 18,-0.2 -0.910 58.2-151.7-117.5 147.4 67.7 62.7 24.8 8 14 A Q E -A 24 0A 104 16,-2.7 16,-2.3 -2,-0.4 2,-0.3 -0.975 21.2-139.4-112.8 128.8 68.6 61.4 21.3 9 15 A L E +A 23 0A 53 -2,-0.4 14,-0.2 14,-0.2 2,-0.1 -0.686 27.2 168.0 -91.2 138.0 66.1 62.2 18.5 10 16 A F E - 0 0 69 12,-3.6 -1,-0.1 1,-0.4 13,-0.0 -0.078 45.4 -4.3-121.7-132.7 65.3 59.6 15.9 11 17 A E E - 0 0 92 10,-0.1 11,-2.6 1,-0.1 -1,-0.4 -0.060 67.9-106.0 -73.2 162.4 62.5 59.6 13.3 12 18 A E E +A 21 0A 102 9,-0.2 9,-0.3 1,-0.1 -1,-0.1 -0.647 28.3 179.9 -82.5 139.9 59.7 62.0 12.7 13 19 A L E - 0 0 84 7,-3.0 2,-0.3 1,-0.4 8,-0.2 0.718 61.7 -38.1-110.6 -39.4 56.2 60.9 13.8 14 20 A G E A 20 0A 26 6,-1.4 6,-2.2 0, 0.0 -1,-0.4 -0.936 360.0 360.0-167.5-170.1 54.3 64.1 12.7 15 21 A K 0 0 160 -2,-0.3 4,-0.3 4,-0.3 20,-0.0 -0.977 360.0 360.0-126.3 360.0 54.1 67.9 12.4 16 ! 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 17 24 A F 0 0 138 0, 0.0 21,-0.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -58.6 53.1 74.5 14.4 18 25 A S - 0 0 15 19,-0.1 2,-0.3 2,-0.0 19,-0.2 -0.753 360.0-106.0-159.0-172.8 55.8 72.0 15.5 19 26 A V E - B 0 36A 32 17,-1.4 17,-3.4 -4,-0.3 2,-0.5 -0.964 18.2-149.5-135.3 156.4 57.4 68.5 14.9 20 27 A V E +AB 14 35A 33 -6,-2.2 -7,-3.0 -2,-0.3 -6,-1.4 -0.994 21.8 177.8-121.0 123.8 57.1 65.3 16.9 21 28 A R E -AB 12 34A 83 13,-2.2 13,-3.4 -2,-0.5 2,-0.3 -0.971 33.8-111.0-127.5 149.8 60.0 62.9 16.9 22 29 A R E - B 0 33A 53 -11,-2.6 -12,-3.6 -2,-0.4 2,-0.3 -0.563 43.8-178.1 -68.4 134.6 60.7 59.7 18.6 23 30 A C E -AB 9 32A 0 9,-3.0 9,-2.6 -2,-0.3 2,-0.4 -0.958 22.3-143.2-131.0 159.1 63.5 60.1 21.2 24 31 A V E -AB 8 31A 30 -16,-2.3 -16,-2.7 -2,-0.3 2,-1.0 -0.978 17.4-136.2-113.7 131.2 65.3 57.9 23.6 25 32 A K E >>> -AB 7 30A 57 5,-3.5 5,-1.3 -2,-0.4 3,-0.8 -0.830 34.1-150.6 -76.9 102.6 66.4 59.2 27.0 26 33 A V G >45S+ 0 0 66 -20,-1.1 3,-1.6 -2,-1.0 -1,-0.2 0.873 81.2 38.4 -55.6 -59.3 69.8 57.6 26.5 27 34 A L G 345S+ 0 0 177 1,-0.3 -1,-0.3 -21,-0.3 -20,-0.1 0.641 119.4 48.9 -73.1 -16.5 71.1 56.7 30.0 28 35 A A G <45S- 0 0 68 -3,-0.8 -1,-0.3 2,-0.2 -2,-0.2 0.437 101.0-139.5 -93.2 -6.3 67.6 55.6 31.2 29 36 A G T <<5 + 0 0 61 -3,-1.6 2,-0.3 -4,-0.7 -3,-0.2 0.784 57.4 128.6 49.9 36.1 67.2 53.5 28.0 30 37 A Q E < -B 25 0A 103 -5,-1.3 -5,-3.5 0, 0.0 2,-0.3 -0.914 50.3-134.0-123.4 148.3 63.6 54.5 27.6 31 38 A E E +B 24 0A 79 -2,-0.3 53,-0.5 -7,-0.3 2,-0.3 -0.754 26.3 161.9-106.6 148.2 61.7 56.0 24.6 32 39 A Y E -BC 23 83A 33 -9,-2.6 -9,-3.0 -2,-0.3 2,-0.5 -0.867 40.0-103.5-144.1 171.8 59.3 59.0 24.3 33 40 A A E -BC 22 82A 11 49,-1.7 49,-3.1 -2,-0.3 2,-0.7 -0.953 31.2-153.4-100.1 126.5 57.8 61.3 21.8 34 41 A A E -BC 21 81A 0 -13,-3.4 -13,-2.2 -2,-0.5 2,-0.7 -0.911 3.7-154.8-102.7 111.7 59.3 64.8 21.8 35 42 A K E -BC 20 80A 12 45,-3.2 45,-2.9 -2,-0.7 2,-0.6 -0.810 20.6-160.2 -76.9 114.5 57.0 67.6 20.6 36 43 A I E -BC 19 79A 15 -17,-3.4 -17,-1.4 -2,-0.7 2,-0.5 -0.905 8.7-169.8-110.1 111.3 59.7 70.1 19.4 37 44 A I E - C 0 78A 10 41,-2.8 41,-2.1 -2,-0.6 2,-0.7 -0.896 20.6-136.5-106.0 125.2 58.6 73.8 19.1 38 45 A N E > - C 0 77A 70 -2,-0.5 3,-0.6 -21,-0.4 39,-0.2 -0.723 16.0-161.6 -76.9 110.3 60.8 76.5 17.4 39 46 A T G > S+ 0 0 16 37,-2.5 3,-0.6 -2,-0.7 38,-0.2 0.520 81.4 68.5 -82.5 -5.3 60.4 79.5 19.7 40 47 A K G 3 S+ 0 0 158 36,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.875 94.2 59.4 -67.3 -41.7 61.7 82.1 17.2 41 48 A K G < S+ 0 0 84 -3,-0.6 2,-0.4 -24,-0.1 -1,-0.2 0.055 98.4 88.3 -74.8 29.8 58.4 81.5 15.2 42 49 A L < - 0 0 45 -3,-0.6 2,-0.0 -2,-0.3 -3,-0.0 -0.983 67.2-139.7-136.1 137.8 56.5 82.6 18.4 43 50 A S > - 0 0 61 -2,-0.4 4,-2.0 1,-0.1 5,-0.1 -0.244 42.7 -94.4 -76.9 174.9 55.2 85.9 19.9 44 51 A A H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.924 130.3 52.2 -48.4 -46.9 55.3 86.9 23.5 45 52 A R H > S+ 0 0 152 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.826 106.6 51.6 -67.9 -33.2 51.8 85.5 23.7 46 53 A D H > S+ 0 0 49 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.833 107.0 52.8 -74.4 -36.5 52.7 82.2 22.1 47 54 A H H X S+ 0 0 86 -4,-2.0 4,-1.2 2,-0.2 3,-0.5 0.909 110.2 48.9 -55.6 -48.5 55.6 81.7 24.6 48 55 A Q H X S+ 0 0 124 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.790 107.6 55.1 -63.0 -31.3 53.1 82.3 27.4 49 56 A K H X S+ 0 0 44 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.717 100.5 59.6 -74.8 -25.0 50.7 79.8 25.8 50 57 A L H X S+ 0 0 12 -4,-1.0 4,-2.6 -3,-0.5 -2,-0.2 0.862 103.3 51.3 -65.9 -39.3 53.5 77.2 25.9 51 58 A E H X S+ 0 0 115 -4,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.845 112.0 47.0 -66.3 -35.0 53.6 77.5 29.7 52 59 A R H X S+ 0 0 44 -4,-1.1 4,-3.1 2,-0.2 -2,-0.2 0.885 110.8 52.2 -69.3 -43.3 49.9 76.9 29.8 53 60 A E H X S+ 0 0 12 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.929 111.2 46.7 -57.4 -47.9 50.2 74.0 27.4 54 61 A A H X S+ 0 0 5 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.899 114.0 49.2 -59.2 -43.3 52.8 72.4 29.7 55 62 A R H X S+ 0 0 115 -4,-1.7 4,-1.6 2,-0.2 3,-0.4 0.927 111.1 48.5 -61.1 -51.3 50.6 73.1 32.7 56 63 A I H X S+ 0 0 0 -4,-3.1 4,-1.2 1,-0.2 3,-0.4 0.945 109.3 52.6 -55.1 -54.4 47.5 71.6 31.0 57 64 A C H < S+ 0 0 5 -4,-2.4 11,-0.9 1,-0.2 -1,-0.2 0.700 106.4 52.7 -59.6 -26.2 49.3 68.4 30.0 58 65 A R H < S+ 0 0 130 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.849 105.8 55.9 -76.4 -37.0 50.6 67.8 33.5 59 66 A L H < S+ 0 0 79 -4,-1.6 2,-0.8 -3,-0.4 -2,-0.2 0.830 90.1 86.8 -52.9 -39.2 47.0 68.0 34.9 60 67 A L < + 0 0 2 -4,-1.2 2,-0.5 6,-0.1 8,-0.3 -0.604 45.4 162.9 -86.8 110.1 45.7 65.3 32.6 61 68 A K + 0 0 108 -2,-0.8 5,-0.1 6,-0.1 6,-0.0 -0.928 25.8 126.3-122.1 101.4 46.0 61.8 34.0 62 69 A H > - 0 0 22 -2,-0.5 3,-1.3 3,-0.5 53,-0.0 -0.984 65.1-120.4-155.4 146.1 43.7 59.4 32.0 63 70 A P T 3 S+ 0 0 38 0, 0.0 81,-0.1 0, 0.0 4,-0.1 0.654 114.0 50.2 -64.1 -16.0 44.2 56.2 30.1 64 71 A N T 3 S+ 0 0 1 82,-0.1 83,-3.4 47,-0.1 2,-0.4 0.205 101.1 71.3-107.5 10.5 42.9 57.8 26.9 65 72 A I B < S-e 147 0B 3 -3,-1.3 -3,-0.5 81,-0.3 83,-0.2 -0.997 86.2-117.0-126.6 133.1 45.1 60.9 27.1 66 73 A V - 0 0 10 81,-2.8 2,-0.3 -2,-0.4 -6,-0.1 -0.422 35.6-126.5 -65.5 142.5 48.9 60.8 26.4 67 74 A R - 0 0 57 -2,-0.1 16,-2.3 -4,-0.1 2,-0.4 -0.713 8.8-127.2-101.0 143.2 50.9 61.8 29.5 68 75 A L E +D 82 0A 8 -11,-0.9 14,-0.3 -2,-0.3 3,-0.1 -0.730 24.8 175.4 -87.9 134.9 53.6 64.5 29.7 69 76 A H E + 0 0 93 12,-3.5 2,-0.3 -2,-0.4 13,-0.2 0.691 62.5 0.4-110.1 -26.8 57.0 63.4 31.2 70 77 A D E -D 81 0A 51 11,-1.4 11,-2.6 2,-0.0 2,-0.4 -0.995 46.2-153.5-164.4 152.9 59.2 66.6 30.9 71 78 A S E +D 80 0A 36 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.960 23.1 173.8-136.3 114.8 59.2 70.2 29.6 72 79 A I E -D 79 0A 8 7,-2.4 7,-3.2 -2,-0.4 2,-0.4 -0.987 13.9-162.5-128.0 122.0 62.7 71.6 28.6 73 80 A S E +D 78 0A 90 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.917 16.2 174.5-107.2 135.2 63.3 75.0 26.9 74 81 A E - 0 0 42 3,-3.2 -2,-0.0 -2,-0.4 0, 0.0 -0.469 49.6 -66.0-119.0-172.8 66.7 75.6 25.1 75 82 A E S S- 0 0 110 1,-0.2 -1,-0.0 -2,-0.2 -36,-0.0 0.951 125.9 -0.2 -40.0 -81.5 68.2 78.4 23.1 76 83 A G S S+ 0 0 7 -37,-0.1 -37,-2.5 -38,-0.1 -36,-0.6 0.588 126.7 56.7 -91.4 -9.9 65.9 78.3 20.0 77 84 A H E -C 38 0A 60 -39,-0.2 -3,-3.2 -38,-0.2 2,-0.4 -0.754 55.8-148.1-131.0 158.8 63.5 75.5 21.0 78 85 A H E -CD 37 73A 22 -41,-2.1 -41,-2.8 -2,-0.2 2,-0.5 -0.995 18.0-156.6-125.1 138.2 61.1 74.0 23.5 79 86 A Y E -CD 36 72A 18 -7,-3.2 -7,-2.4 -2,-0.4 2,-0.6 -0.962 9.0-171.6-120.8 118.0 60.7 70.3 24.1 80 87 A L E -CD 35 71A 0 -45,-2.9 -45,-3.2 -2,-0.5 2,-0.6 -0.963 16.1-156.8-106.0 119.7 57.6 68.7 25.5 81 88 A I E +CD 34 70A 0 -11,-2.6 -12,-3.5 -2,-0.6 -11,-1.4 -0.874 19.9 170.9-105.1 117.7 58.4 65.0 26.2 82 89 A F E -CD 33 68A 18 -49,-3.1 -49,-1.7 -2,-0.6 -14,-0.2 -0.697 42.0 -72.5-115.8 171.5 55.3 62.6 26.3 83 90 A D E -C 32 0A 40 -16,-2.3 2,-0.6 -2,-0.2 -51,-0.2 -0.406 50.7-121.5 -51.4 138.5 54.6 58.9 26.4 84 91 A L - 0 0 34 -53,-0.5 2,-0.4 -52,-0.1 -1,-0.1 -0.847 26.3-168.2 -86.0 116.8 55.3 57.2 23.1 85 92 A V - 0 0 23 -2,-0.6 53,-0.2 1,-0.1 3,-0.2 -0.911 1.8-165.9-104.0 137.0 52.2 55.6 21.7 86 93 A T + 0 0 69 51,-1.7 52,-0.2 -2,-0.4 51,-0.2 0.249 63.3 80.7-118.8 12.1 53.1 53.3 18.8 87 94 A G S S- 0 0 4 49,-2.1 50,-0.2 1,-0.2 -1,-0.2 0.471 79.7-143.8-102.0 -4.1 49.9 52.4 16.9 88 95 A G - 0 0 34 48,-0.4 48,-1.5 -3,-0.2 -1,-0.2 -0.158 52.3 -7.1 72.8-166.5 49.5 55.5 14.8 89 96 A E B > -F 135 0B 29 46,-0.2 4,-1.8 1,-0.1 46,-0.3 -0.326 53.9-138.1 -66.3 140.0 46.3 57.1 13.9 90 97 A L H > S+ 0 0 1 44,-2.8 4,-2.7 41,-0.3 3,-0.3 0.943 106.9 55.7 -54.2 -49.6 43.1 55.4 14.7 91 98 A F H > S+ 0 0 0 43,-0.4 4,-1.3 40,-0.3 -1,-0.2 0.840 107.8 48.1 -58.3 -36.0 41.7 56.4 11.3 92 99 A E H > S+ 0 0 86 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.817 112.1 50.1 -73.3 -35.2 44.8 54.7 9.5 93 100 A D H >< S+ 0 0 52 -4,-1.8 3,-1.0 -3,-0.3 -2,-0.2 0.880 103.8 58.4 -64.0 -43.7 44.3 51.6 11.6 94 101 A I H >< S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.917 102.5 54.3 -57.2 -39.9 40.5 51.4 10.8 95 102 A V H 3< S+ 0 0 22 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.720 103.1 56.2 -71.2 -18.8 41.3 51.1 7.0 96 103 A A T << S+ 0 0 88 -3,-1.0 -1,-0.3 -4,-0.5 2,-0.2 0.317 90.0 104.5 -90.4 7.9 43.6 48.2 7.5 97 104 A R < - 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0 0 24 -2,-0.4 4,-1.5 1,-0.1 3,-0.5 -0.386 19.1-122.8 -66.6 144.8 20.8 52.7 13.5 235 242 A P H 3> S+ 0 0 90 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.746 111.8 60.3 -53.5 -28.3 18.5 55.6 14.4 236 243 A E H 3> S+ 0 0 41 2,-0.2 4,-2.0 1,-0.2 27,-0.2 0.815 101.7 50.3 -76.3 -35.0 20.3 55.8 17.7 237 244 A A H <> S+ 0 0 0 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.878 113.6 47.0 -61.6 -39.8 23.7 56.6 16.0 238 245 A K H X S+ 0 0 53 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.904 110.4 53.2 -70.4 -36.9 21.8 59.3 14.0 239 246 A D H X S+ 0 0 56 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.906 108.1 48.8 -64.3 -45.5 20.2 60.6 17.1 240 247 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 3,-0.5 0.947 111.7 50.0 -59.8 -49.9 23.5 60.9 18.9 241 248 A I H >X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 3,-0.5 0.947 108.7 52.8 -53.9 -48.4 25.0 62.8 15.9 242 249 A N H 3< S+ 0 0 67 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.834 109.3 49.6 -57.5 -32.9 22.0 65.1 15.9 243 250 A K H 3< S+ 0 0 89 -4,-1.5 10,-2.2 -3,-0.5 3,-0.4 0.739 115.1 42.6 -81.3 -25.1 22.5 65.9 19.6 244 251 A M H << S+ 0 0 0 -4,-1.7 2,-1.1 -3,-0.5 -2,-0.2 0.866 111.4 54.5 -80.9 -46.0 26.2 66.7 19.1 245 252 A L S < S+ 0 0 6 -4,-3.0 2,-0.5 -5,-0.2 -1,-0.2 -0.290 77.0 137.0 -85.6 54.1 25.7 68.7 15.9 246 253 A T - 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0 0 8 -4,-0.9 -5,-0.1 -3,-0.7 -45,-0.1 -0.289 59.4-124.9 -63.6 137.8 22.6 43.2 55.6 468 181 B S > - 0 0 3 1,-0.1 4,-1.8 45,-0.0 5,-0.2 -0.500 17.7-115.2 -84.3 156.4 25.9 44.8 56.6 469 182 B P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.861 114.1 55.8 -57.4 -37.5 28.2 43.3 59.3 470 183 B E H >>S+ 0 0 0 1,-0.2 5,-2.7 2,-0.2 4,-0.6 0.881 105.8 50.2 -67.5 -38.7 27.7 46.4 61.5 471 184 B V H >45S+ 0 0 4 1,-0.2 3,-0.8 3,-0.2 -1,-0.2 0.914 112.9 47.7 -62.6 -38.4 24.0 46.1 61.5 472 185 B L H 3<5S+ 0 0 11 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.793 110.2 51.2 -74.9 -25.8 24.4 42.4 62.5 473 186 B R H 3<5S- 0 0 85 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.515 113.9-119.8 -83.7 -6.1 27.0 43.3 65.2 474 187 B K T <<5 + 0 0 112 -3,-0.8 -3,-0.2 -4,-0.6 -2,-0.1 0.810 61.6 152.2 69.3 35.0 24.4 45.8 66.6 475 188 B D < - 0 0 61 -5,-2.7 -1,-0.2 -6,-0.1 -19,-0.1 -0.618 56.6 -92.9 -92.7 151.8 26.9 48.6 66.1 476 189 B P - 0 0 76 0, 0.0 -19,-0.3 0, 0.0 2,-0.2 -0.371 59.0-179.2 -57.2 143.7 25.9 52.2 65.4 477 190 B Y B +R 456 0H 1 -21,-2.8 -21,-2.0 -23,-0.1 2,-0.2 -0.825 22.1 158.1-143.3 174.7 25.8 52.7 61.7 478 191 B G > - 0 0 0 -2,-0.2 3,-1.8 -23,-0.2 4,-0.3 -0.648 63.4 -5.7-165.3-132.8 25.2 55.1 58.8 479 192 B K T >> S+ 0 0 30 1,-0.3 3,-1.4 -2,-0.2 4,-0.6 0.770 113.0 69.2 -59.2 -35.8 25.9 55.6 55.1 480 193 B P H >> S+ 0 0 29 0, 0.0 4,-1.6 0, 0.0 3,-0.6 0.733 81.8 75.1 -61.5 -19.5 28.3 52.7 54.6 481 194 B V H <> S+ 0 0 11 -3,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.895 94.6 53.1 -56.5 -37.6 25.5 50.1 55.1 482 195 B D H <> S+ 0 0 2 -3,-1.4 4,-1.4 -4,-0.3 -1,-0.2 0.787 105.0 54.1 -67.5 -32.1 24.3 51.1 51.5 483 196 B L H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 3,-0.8 0.968 108.8 48.4 -65.0 -53.8 27.9 47.0 51.5 485 198 B A H 3X S+ 0 0 5 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.821 108.9 55.0 -55.4 -31.7 24.5 46.3 49.8 486 199 B C H 3X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.780 105.0 53.4 -72.0 -31.3 26.0 47.7 46.5 487 200 B G H X S+ 0 0 5 -4,-2.1 4,-1.9 1,-0.2 3,-0.9 0.924 111.2 47.1 -55.9 -48.1 28.6 40.7 42.8 492 205 B I H 3X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.866 107.9 57.6 -63.9 -34.3 25.2 39.3 41.7 493 206 B L H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.741 110.1 44.6 -66.3 -22.1 25.3 41.5 38.5 494 207 B L H << S+ 0 0 1 -4,-1.0 -2,-0.2 -3,-0.9 -1,-0.2 0.873 133.3 10.4 -94.0 -39.8 28.7 39.8 37.5 495 208 B V H < S- 0 0 5 -4,-1.9 -3,-0.2 2,-0.3 -2,-0.2 0.504 94.5-117.7-122.6 -7.4 28.0 36.1 38.1 496 209 B G S < S+ 0 0 0 -4,-1.8 84,-0.3 -5,-0.5 -4,-0.2 0.550 83.2 81.6 86.7 7.5 24.2 35.8 38.8 497 210 B Y S S- 0 0 55 -6,-0.3 -2,-0.3 83,-0.1 -1,-0.2 -0.957 81.0-100.6-143.8 153.7 24.4 34.5 42.4 498 211 B P - 0 0 32 0, 0.0 3,-0.1 0, 0.0 -9,-0.1 -0.398 19.2-131.1 -77.8 153.1 24.8 36.2 45.8 499 212 B P S S+ 0 0 13 0, 0.0 2,-0.4 0, 0.0 19,-0.2 0.777 95.7 40.9 -71.5 -27.6 28.1 36.2 47.8 500 213 B F + 0 0 3 -35,-0.2 2,-0.3 17,-0.1 17,-0.1 -0.993 69.2 148.2-128.5 126.5 26.5 35.1 51.0 501 214 B W + 0 0 180 -2,-0.4 2,-0.3 -3,-0.1 3,-0.1 -0.957 5.3 155.8-157.4 135.1 23.8 32.4 51.2 502 215 B D - 0 0 30 -2,-0.3 6,-0.1 1,-0.1 7,-0.0 -0.911 41.8-135.1-159.9 141.3 22.8 29.8 53.7 503 216 B E S S+ 0 0 90 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 0.817 99.9 68.0 -59.0 -34.3 19.6 27.9 54.5 504 217 B D S > S- 0 0 79 1,-0.1 4,-2.1 -3,-0.1 3,-0.4 -0.811 76.0-154.8 -94.0 113.9 20.3 28.6 58.2 505 218 B Q H > S+ 0 0 106 -2,-0.7 4,-1.9 1,-0.2 -1,-0.1 0.771 92.3 56.3 -62.6 -29.0 19.9 32.3 58.8 506 219 B H H > S+ 0 0 121 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.888 109.3 46.4 -71.1 -40.1 22.3 32.3 61.8 507 220 B R H > S+ 0 0 137 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.846 108.3 56.8 -66.3 -38.4 25.1 30.8 59.7 508 221 B L H X S+ 0 0 12 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.939 106.9 49.4 -55.9 -47.2 24.3 33.3 57.0 509 222 B Y H X S+ 0 0 31 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.855 107.9 52.4 -67.1 -35.2 24.9 36.1 59.5 510 223 B Q H X S+ 0 0 81 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.875 109.5 51.0 -64.1 -39.9 28.2 34.6 60.6 511 224 B Q H X>S+ 0 0 42 -4,-2.0 5,-2.2 2,-0.2 4,-0.9 0.883 112.1 46.5 -59.3 -46.4 29.3 34.5 57.0 512 225 B I H ><5S+ 0 0 0 -4,-2.1 3,-1.2 2,-0.2 -2,-0.2 0.969 112.5 48.7 -63.0 -52.7 28.4 38.2 56.5 513 226 B K H 3<5S+ 0 0 63 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.776 114.5 46.7 -58.9 -28.1 30.1 39.3 59.7 514 227 B A H 3<5S- 0 0 70 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.600 105.2-129.0 -86.5 -16.0 33.3 37.3 58.7 515 228 B G T <<5 + 0 0 17 -3,-1.2 2,-1.6 -4,-0.9 -3,-0.2 0.833 46.9 166.7 67.3 35.1 33.2 38.7 55.1 516 229 B A < + 0 0 60 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.2 -0.530 18.4 126.4 -92.9 69.9 33.5 35.1 53.9 517 230 B Y - 0 0 46 -2,-1.6 2,-0.3 22,-0.1 -17,-0.1 -0.745 37.9-161.4-112.6 166.1 32.7 35.4 50.2 518 231 B D - 0 0 116 -2,-0.3 -2,-0.0 -19,-0.2 0, 0.0 -0.905 25.8-128.2-144.4 169.8 34.9 34.0 47.4 519 232 B F - 0 0 41 -2,-0.3 2,-0.1 5,-0.0 13,-0.0 -0.728 40.2-167.2-119.0 75.3 35.5 34.3 43.6 520 233 B P > - 0 0 50 0, 0.0 4,-1.7 0, 0.0 5,-0.2 -0.326 18.6 -88.8 -71.2 144.4 35.4 30.6 42.5 521 234 B S T 4 S+ 0 0 79 1,-0.2 -2,-0.0 2,-0.2 0, 0.0 -0.533 95.5 34.4 -74.0 153.4 36.5 29.3 39.1 522 235 B P T >4 S+ 0 0 99 0, 0.0 3,-1.3 0, 0.0 4,-0.4 -0.980 123.4 38.2 -80.9 -21.8 35.4 28.8 36.3 523 236 B E T 34 S+ 0 0 50 1,-0.3 3,-0.4 2,-0.2 -2,-0.2 0.753 116.8 47.5 -73.1 -26.6 33.1 31.8 36.3 524 237 B W T >< S+ 0 0 0 -4,-1.7 3,-1.0 1,-0.2 -1,-0.3 0.498 92.0 82.6 -87.0 -5.8 35.3 34.4 38.0 525 238 B D T < S+ 0 0 104 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.784 95.1 43.3 -72.3 -30.2 38.3 33.5 35.9 526 239 B T T 3 S+ 0 0 68 -4,-0.4 2,-0.4 -3,-0.4 -1,-0.3 0.272 90.9 103.1 -95.8 4.2 37.2 35.8 33.1 527 240 B V S < S- 0 0 7 -3,-1.0 38,-0.0 1,-0.1 -3,-0.0 -0.753 81.1-108.9 -85.6 137.8 36.1 38.7 35.4 528 241 B T > - 0 0 24 -2,-0.4 4,-1.6 1,-0.1 3,-0.3 -0.275 17.8-121.5 -63.9 147.6 38.7 41.5 35.4 529 242 B P H > S+ 0 0 91 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.705 112.4 60.1 -56.0 -27.8 40.9 42.1 38.5 530 243 B E H > S+ 0 0 74 2,-0.2 4,-2.1 34,-0.2 27,-0.2 0.851 101.3 50.1 -76.8 -38.0 39.4 45.7 38.6 531 244 B A H > S+ 0 0 0 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.924 113.7 47.9 -60.7 -42.9 35.8 44.5 39.0 532 245 B K H X S+ 0 0 48 -4,-1.6 4,-2.9 1,-0.2 -2,-0.2 0.905 108.6 54.2 -64.6 -43.1 37.0 42.2 41.8 533 246 B D H X S+ 0 0 59 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.927 108.4 48.6 -55.2 -47.9 38.9 45.1 43.4 534 247 B L H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.941 111.5 48.8 -63.1 -44.0 35.8 47.2 43.5 535 248 B I H >X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 3,-0.6 0.946 111.3 51.4 -55.6 -49.4 33.7 44.4 45.1 536 249 B N H 3< S+ 0 0 64 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.913 108.1 51.4 -56.6 -46.0 36.5 43.9 47.7 537 250 B K H 3< S+ 0 0 88 -4,-2.4 10,-2.1 1,-0.2 3,-0.4 0.773 115.5 42.0 -58.9 -28.3 36.5 47.6 48.5 538 251 B M H << S+ 0 0 0 -4,-1.4 2,-0.8 -3,-0.6 -2,-0.2 0.816 109.4 56.7 -88.7 -36.8 32.7 47.5 49.0 539 252 B L S < S+ 0 0 6 -4,-3.0 2,-0.5 -5,-0.2 -1,-0.2 -0.344 75.7 137.9 -94.6 53.3 32.6 44.2 50.9 540 253 B T - 0 0 38 -2,-0.8 6,-0.1 -3,-0.4 -25,-0.1 -0.891 51.3-143.2-101.2 126.3 35.0 45.5 53.5 541 254 B I S S+ 0 0 49 -2,-0.5 -71,-0.1 -27,-0.1 -1,-0.1 0.715 85.2 69.5 -65.0 -31.6 33.9 44.4 57.1 542 255 B N S >> S- 0 0 75 1,-0.1 3,-1.9 -73,-0.1 4,-0.7 -0.846 72.5-154.8 -95.0 111.4 35.0 47.6 58.8 543 256 B P T 34 S+ 0 0 21 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.777 92.0 62.0 -63.5 -24.3 32.7 50.4 57.7 544 257 B S T 34 S+ 0 0 110 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.757 110.4 41.5 -67.9 -24.1 35.3 53.1 58.4 545 258 B K T <4 S+ 0 0 112 -3,-1.9 -1,-0.2 2,-0.1 2,-0.1 0.432 91.4 111.5 -99.6 -5.5 37.5 51.4 55.7 546 259 B R S < S- 0 0 8 -4,-0.7 -8,-0.2 -3,-0.5 -9,-0.1 -0.450 78.2-101.8 -73.0 141.4 34.7 50.7 53.2 547 260 B I - 0 0 18 -10,-2.1 2,-0.1 -13,-0.1 -1,-0.1 -0.311 37.1-131.4 -55.8 139.4 34.7 52.7 49.9 548 261 B T > - 0 0 66 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.473 22.7-106.6 -86.9 170.4 32.2 55.6 49.8 549 262 B A H > S+ 0 0 1 1,-0.2 4,-1.5 2,-0.2 -138,-0.1 0.882 122.1 50.5 -65.3 -40.3 29.8 56.2 46.9 550 263 B A H > S+ 0 0 33 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.907 113.8 44.2 -59.0 -46.7 31.9 59.2 45.7 551 264 B E H >4 S+ 0 0 103 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.864 110.3 55.3 -68.6 -34.9 35.0 57.1 45.8 552 265 B A H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 6,-0.2 0.858 102.8 56.5 -65.7 -35.9 33.3 54.1 44.1 553 266 B L H 3< S+ 0 0 29 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.725 106.0 50.7 -70.0 -20.8 32.3 56.3 41.2 554 267 B K T << S+ 0 0 152 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.438 82.6 118.6 -93.1 -2.7 35.9 57.3 40.6 555 268 B H S X> S- 0 0 12 -3,-1.1 4,-2.8 -4,-0.3 3,-2.0 -0.426 74.8-122.9 -66.4 138.2 37.0 53.6 40.6 556 269 B P H 3> S+ 0 0 47 0, 0.0 4,-1.9 0, 0.0 8,-0.2 0.784 109.0 63.7 -56.9 -32.6 38.5 52.8 37.2 557 270 B W H 34 S+ 0 0 0 -27,-0.2 8,-0.2 2,-0.2 7,-0.1 0.782 119.8 27.4 -64.3 -22.0 36.1 49.9 36.5 558 271 B I H X4 S+ 0 0 4 -3,-2.0 3,-1.0 -6,-0.2 -1,-0.1 0.859 130.9 34.8 -96.9 -57.2 33.4 52.7 36.5 559 272 B S H 3< S+ 0 0 41 -4,-2.8 3,-0.2 1,-0.3 -2,-0.2 0.724 129.3 35.8 -79.7 -24.4 35.2 55.9 35.4 560 273 B H T >X S+ 0 0 44 -4,-1.9 3,-1.8 -5,-0.4 4,-1.4 -0.155 77.1 139.8-112.5 35.4 37.6 54.2 33.0 561 274 B R H <> + 0 0 12 -3,-1.0 4,-1.8 1,-0.3 3,-0.4 0.833 62.1 62.7 -45.2 -43.6 35.0 51.6 31.9 562 275 B S H 34 S+ 0 0 8 1,-0.3 -1,-0.3 2,-0.2 -451,-0.1 0.657 117.7 25.4 -67.1 -21.1 36.0 51.8 28.2 563 276 B T H <4 S+ 0 0 56 -3,-1.8 -1,-0.3 -7,-0.2 -2,-0.2 0.457 131.3 39.0-112.3 -7.7 39.6 50.5 28.8 564 277 B V H < S+ 0 0 24 -4,-1.4 2,-0.2 -3,-0.4 -34,-0.2 0.824 93.1 75.6-112.1 -45.7 39.0 48.5 32.0 565 278 B A S < S- 0 0 8 -4,-1.8 -168,-0.1 -5,-0.2 -1,-0.0 -0.524 82.7-111.8 -80.9 134.1 35.6 46.6 32.0 566 279 B S - 0 0 31 -2,-0.2 -169,-2.2 1,-0.1 -170,-0.1 -0.303 15.4-155.8 -67.9 150.3 35.4 43.5 29.8 567 280 B C + 0 0 48 -171,-0.2 2,-0.2 -172,-0.1 -1,-0.1 0.287 53.7 121.7-104.3 3.7 33.2 43.4 26.7 568 281 B M - 0 0 80 -42,-0.1 -172,-0.5 1,-0.1 2,-0.2 -0.501 68.6-115.0 -76.1 133.3 32.7 39.7 26.7 569 282 B H - 0 0 49 -2,-0.2 2,-0.7 -174,-0.1 -174,-0.2 -0.510 21.4-151.2 -64.3 131.8 29.2 38.4 26.8 570 283 B R > + 0 0 12 -176,-2.7 4,-1.8 -2,-0.2 3,-0.5 -0.740 23.9 168.4-107.1 78.5 28.6 36.4 30.1 571 284 B Q H > S+ 0 0 90 -2,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.875 76.5 59.1 -60.2 -35.4 25.9 33.8 29.1 572 285 B E H > S+ 0 0 131 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.856 104.1 51.0 -64.1 -35.3 26.4 31.9 32.4 573 286 B T H > S+ 0 0 2 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.940 110.2 49.7 -61.6 -47.9 25.6 35.0 34.4 574 287 B V H X S+ 0 0 3 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.886 113.1 47.2 -58.1 -42.1 22.4 35.4 32.4 575 288 B D H X S+ 0 0 50 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.903 114.9 44.0 -68.4 -45.6 21.5 31.7 33.0 576 289 B C H X S+ 0 0 41 -4,-2.5 4,-2.3 2,-0.2 3,-0.3 0.856 109.5 57.6 -64.7 -39.0 22.2 31.8 36.8 577 290 B L H X S+ 0 0 0 -4,-2.7 4,-3.5 1,-0.2 5,-0.2 0.907 99.4 59.5 -65.2 -36.4 20.3 35.2 37.1 578 291 B K H X S+ 0 0 98 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.873 109.5 42.6 -52.8 -46.3 17.2 33.6 35.6 579 292 B K H X S+ 0 0 152 -4,-0.9 4,-2.7 -3,-0.3 -1,-0.2 0.869 113.6 52.0 -69.4 -40.2 17.1 31.0 38.5 580 293 B F H X S+ 0 0 30 -4,-2.3 4,-2.0 -84,-0.3 -2,-0.2 0.931 110.7 48.8 -57.1 -49.4 18.0 33.8 41.0 581 294 B N H X S+ 0 0 4 -4,-3.5 4,-0.7 1,-0.2 -2,-0.2 0.898 112.8 47.7 -59.8 -42.9 15.1 35.8 39.6 582 295 B A H >X S+ 0 0 55 -4,-1.9 3,-0.8 -5,-0.2 4,-0.7 0.888 108.6 51.9 -67.7 -42.2 12.7 32.8 39.9 583 296 B R H >X S+ 0 0 61 -4,-2.7 4,-1.6 1,-0.2 3,-0.7 0.870 106.5 57.5 -63.5 -33.5 13.7 31.9 43.4 584 297 B R H 3< S+ 0 0 33 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.751 104.7 50.8 -64.8 -26.1 13.0 35.5 44.4 585 298 B K H << S+ 0 0 106 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.529 107.9 50.3 -95.5 -10.3 9.4 35.3 43.2 586 299 B L H << 0 0 158 -4,-0.7 -2,-0.2 -3,-0.7 -3,-0.1 0.853 360.0 360.0 -83.8 -47.4 8.4 32.1 45.0 587 300 B K < 0 0 124 -4,-1.6 0, 0.0 0, 0.0 0, 0.0 -0.295 360.0 360.0 -61.0 360.0 9.7 33.3 48.5