#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ple h SER 2 N 0.00 -0.07 -3.42 1.61 0.02 -2.02 -3.41 113.55 106.25 2ple h SER 2 Ca 0.00 -0.53 -0.56 0.00 -0.84 0.00 0.00 61.79 59.86 2ple h SER 2 Cb 0.00 0.02 -0.07 0.00 0.14 0.00 0.00 62.40 62.49 2ple h SER 2 CO 0.00 0.54 0.97 -2.16 -1.14 0.00 0.00 176.83 175.04 2ple s PRO 3 N -3.52 3.60 0.00 3.45 0.04 -1.26 -3.73 135.00 133.58 2ple s PRO 3 Ca -0.15 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.34 2ple s PRO 3 Cb 0.00 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.57 2ple s PRO 3 CO 0.60 -1.55 0.00 0.41 0.04 0.00 0.00 177.00 176.49 2ple n GLY 4 N 4.98 0.63 0.34 0.56 0.00 -1.26 -4.85 105.19 105.58 2ple n GLY 4 Ca 0.11 -0.16 0.19 0.00 0.00 0.00 0.00 46.02 46.15 2ple n GLY 4 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2ple h ILE 5 N 0.00 0.07 -3.24 -0.61 2.10 -1.78 -3.38 117.51 110.67 2ple h ILE 5 Ca 0.00 0.00 -0.31 0.00 1.08 0.00 0.00 64.86 65.63 2ple h ILE 5 Cb 0.00 0.83 -0.36 0.00 -1.09 0.00 0.00 36.82 36.20 2ple h ILE 5 CO 0.00 0.00 -0.68 -2.28 -1.08 0.00 0.00 178.15 174.11 2ple s HIS 6 N -4.20 -0.07 0.01 2.19 2.46 -1.24 -4.72 115.29 109.72 2ple s HIS 6 Ca -0.04 0.42 0.00 0.00 0.47 0.00 0.00 55.06 55.91 2ple s HIS 6 Cb 0.11 -0.31 -0.00 0.00 -0.13 0.00 0.00 32.58 32.26 2ple s HIS 6 CO 0.37 -0.21 0.01 0.39 -2.47 0.00 0.00 174.74 172.83 2ple n GLU 7 N 5.03 0.88 0.33 2.88 1.02 -1.26 -4.33 120.64 125.19 2ple n GLU 7 Ca -0.10 -0.12 0.18 0.00 -0.02 0.00 0.00 57.16 57.10 2ple n GLU 7 Cb 0.50 0.07 0.96 0.00 -0.02 0.00 0.00 31.44 32.94 2ple n GLU 7 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2ple h SER 8 N 0.06 0.00 -2.39 1.62 0.02 -1.98 -3.40 113.55 107.48 2ple h SER 8 Ca -0.01 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.41 2ple h SER 8 Cb 0.04 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.52 2ple h SER 8 CO 0.02 0.00 -0.55 -0.54 -1.14 0.00 0.00 176.83 174.62 2ple s LYS 9 N -4.14 2.88 0.00 3.45 1.02 -1.26 -5.01 119.74 116.69 2ple s LYS 9 Ca -0.04 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 54.95 2ple s LYS 9 Cb 0.10 -2.57 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 2ple s LYS 9 CO 0.33 0.43 0.00 0.39 -0.92 0.00 0.00 175.35 175.58 2ple n GLU 10 N -0.86 0.00 -1.65 1.68 -0.58 -1.26 -4.95 120.64 113.02 2ple n GLU 10 Ca -0.08 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.61 2ple n GLU 10 Cb 0.57 -0.36 -0.01 0.00 -0.57 0.00 0.00 31.44 31.07 2ple n GLU 10 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 2ple n TRP 11 N -1.40 -1.16 -4.01 -0.32 4.27 -1.26 -4.87 117.44 108.69 2ple n TRP 11 Ca 0.00 0.00 -0.24 0.00 -3.89 0.00 0.00 57.50 53.37 2ple n TRP 11 Cb 0.00 -1.60 -0.17 0.00 -1.36 0.00 0.00 31.31 28.18 2ple n TRP 11 CO 0.00 0.00 0.00 1.52 -2.29 0.00 0.00 177.69 176.92 2ple s TYR 12 N -1.72 1.04 -0.28 -2.67 -0.85 -1.26 -1.87 117.35 109.75 2ple s TYR 12 Ca 0.00 -0.40 -0.17 0.00 -0.52 0.00 0.00 57.07 55.98 2ple s TYR 12 Cb 0.00 -0.93 -0.03 0.00 0.38 0.00 0.00 41.96 41.38 2ple s TYR 12 CO 0.00 -0.34 0.47 -1.01 -1.52 0.00 0.00 175.55 173.15 2ple s HIS 13 N 1.45 3.25 -0.12 -3.49 3.76 -0.82 -4.83 115.29 114.49 2ple s HIS 13 Ca -0.02 0.50 -0.04 0.00 -0.15 0.00 0.00 55.06 55.36 2ple s HIS 13 Cb -0.13 -2.70 -0.02 0.00 1.11 0.00 0.00 32.58 30.84 2ple s HIS 13 CO -0.04 -0.30 -0.05 0.00 -0.85 0.00 0.00 174.74 173.50 2ple h ALA 14 N 8.13 0.00 -1.18 -1.40 0.00 -1.92 -1.93 119.26 120.96 2ple h ALA 14 Ca -0.30 -0.20 -0.50 0.00 0.00 0.00 0.00 54.91 53.92 2ple h ALA 14 Cb 1.15 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 19.05 2ple h ALA 14 CO 0.70 0.19 1.18 -1.12 0.00 0.00 0.00 179.25 180.20 2ple s SER 15 N -5.63 5.85 0.00 0.00 0.01 -1.26 -4.62 113.70 108.05 2ple s SER 15 Ca -0.06 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.58 2ple s SER 15 Cb 0.01 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2ple s SER 15 CO 0.09 -2.05 0.00 -0.11 0.41 0.00 0.00 173.24 171.58 2ple n LEU 16 N 10.93 0.00 -4.63 2.44 0.00 -1.26 -5.13 117.00 119.34 2ple n LEU 16 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 56.01 55.85 2ple n LEU 16 Cb 0.50 0.00 0.04 0.00 0.00 0.00 0.00 43.42 43.96 2ple n LEU 16 CO 0.67 0.00 0.62 1.07 0.00 0.00 0.00 177.39 179.76 2ple n THR 17 N 0.00 3.30 -0.07 1.96 5.66 -1.26 -4.87 114.28 118.99 2ple n THR 17 Ca 0.00 -0.50 -0.06 0.00 -3.05 0.00 0.00 64.05 60.44 2ple n THR 17 Cb 0.00 -1.24 0.12 0.00 -1.55 0.00 0.00 70.33 67.66 2ple n THR 17 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 2ple h ARG 18 N 0.97 0.72 -0.38 1.09 2.43 -1.97 -2.92 114.38 114.31 2ple h ARG 18 Ca -0.48 -0.27 0.01 0.00 -0.81 0.00 0.00 59.98 58.43 2ple h ARG 18 Cb 1.35 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.83 2ple h ARG 18 CO 0.54 0.87 0.23 0.00 -1.51 0.00 0.00 179.97 180.10 2ple h ALA 19 N 1.14 0.48 0.00 2.80 0.00 -2.01 -0.53 119.26 121.14 2ple h ALA 19 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2ple h ALA 19 Cb 0.69 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2ple h ALA 19 CO 0.05 -0.10 -0.03 0.37 0.00 0.00 0.00 179.25 179.55 2ple h GLN 20 N 0.48 0.00 -0.04 0.00 5.75 -1.89 -0.93 115.11 118.47 2ple h GLN 20 Ca 0.15 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.50 2ple h GLN 20 Cb -0.02 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 2ple h GLN 20 CO -0.06 0.03 -0.65 0.00 -2.65 0.00 0.00 178.83 175.50 2ple h ALA 21 N 1.97 0.83 0.00 3.38 0.00 -0.92 -2.38 119.26 122.14 2ple h ALA 21 Ca -0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 2ple h ALA 21 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2ple h ALA 21 CO 0.00 0.77 -0.23 0.93 0.00 0.00 0.00 179.25 180.72 2ple h GLU 22 N 0.13 0.00 0.00 0.00 3.07 -0.84 -2.94 114.58 113.99 2ple h GLU 22 Ca -0.01 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.76 2ple h GLU 22 Cb 1.17 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.06 2ple h GLU 22 CO 0.10 0.23 -0.46 1.25 -1.40 0.00 0.00 179.01 178.73 2ple h HIS 23 N 0.00 0.00 -0.32 4.33 2.76 -1.37 -2.37 115.15 118.17 2ple h HIS 23 Ca -0.00 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.26 2ple h HIS 23 Cb 0.81 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 2ple h HIS 23 CO 0.00 1.17 0.25 0.00 -1.30 0.00 0.00 177.93 178.05 2ple h MET 24 N -1.00 0.00 0.11 5.26 -0.00 -1.49 -0.83 114.93 116.99 2ple h MET 24 Ca -0.13 0.00 -0.31 0.00 -0.00 0.00 0.00 59.70 59.26 2ple h MET 24 Cb 1.10 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.69 2ple h MET 24 CO -0.08 0.00 -1.59 -0.07 -0.00 0.00 0.00 176.91 175.17 2ple h LEU 25 N 0.00 0.37 -1.53 -0.10 3.38 -1.61 -3.28 115.31 112.55 2ple h LEU 25 Ca 0.15 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2ple h LEU 25 Cb 0.66 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2ple h LEU 25 CO -0.00 1.47 0.00 -0.03 0.09 0.00 0.00 178.44 179.97 2ple h MET 26 N 0.07 0.00 0.00 1.13 4.05 -0.66 -2.20 114.93 117.31 2ple h MET 26 Ca -0.26 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.16 2ple h MET 26 Cb 2.02 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.82 2ple h MET 26 CO 0.15 0.00 0.00 0.54 0.23 0.00 0.00 176.91 177.83 2ple n ARG 27 N -2.94 0.38 -3.82 0.39 5.12 -0.44 -4.15 116.66 111.20 2ple n ARG 27 Ca 0.00 0.07 -0.34 0.00 -1.93 0.00 0.00 57.85 55.65 2ple n ARG 27 Cb 0.26 -1.50 -0.12 0.00 -1.16 0.00 0.00 32.46 29.94 2ple n ARG 27 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2ple s VAL 28 N -2.29 3.21 -0.24 1.55 1.01 -0.83 -5.06 120.40 117.75 2ple s VAL 28 Ca 0.21 -3.12 -0.29 0.00 0.00 0.00 0.00 61.98 58.78 2ple s VAL 28 Cb 0.11 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.35 2ple s VAL 28 CO 0.23 -0.84 1.16 -2.16 0.00 0.00 0.00 175.10 173.49 2ple s PRO 29 N -0.16 4.14 -0.39 2.72 0.04 -1.26 -3.71 135.00 136.38 2ple s PRO 29 Ca 0.17 1.36 -0.00 0.00 0.04 0.00 0.00 61.00 62.57 2ple s PRO 29 Cb -0.23 -3.75 -0.00 0.00 0.04 0.00 0.00 34.50 30.56 2ple s PRO 29 CO -0.02 -0.81 0.32 -2.13 0.04 0.00 0.00 177.00 174.40 2ple n ARG 30 N 6.72 -1.91 0.00 4.56 0.00 -1.25 -5.06 116.66 119.73 2ple n ARG 30 Ca 0.13 0.28 0.00 0.00 -0.00 0.00 0.00 57.85 58.26 2ple n ARG 30 Cb 0.46 -3.48 0.00 0.00 0.00 0.00 0.00 32.46 29.44 2ple n ARG 30 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2ple n ASP 31 N -1.77 0.00 0.00 6.15 2.03 -1.24 -5.02 116.55 116.69 2ple n ASP 31 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 2ple n ASP 31 Cb 0.55 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 2ple n ASP 31 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ple n GLY 32 N 5.00 -0.75 3.57 0.27 0.00 -1.25 -3.95 105.19 108.08 2ple n GLY 32 Ca 0.00 0.84 -0.15 0.00 0.00 0.00 0.00 46.02 46.70 2ple n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ple s ALA 33 N 0.00 -1.72 0.19 4.61 0.00 0.13 -4.29 121.76 120.67 2ple s ALA 33 Ca 0.00 1.69 0.05 0.00 0.00 0.00 0.00 51.96 53.70 2ple s ALA 33 Cb 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 2ple s ALA 33 CO 0.00 -0.34 0.21 -0.59 0.00 0.00 0.00 175.76 175.04 2ple s PHE 34 N -0.24 3.26 -0.12 0.00 -0.71 -0.91 -1.84 117.98 117.41 2ple s PHE 34 Ca -0.04 -0.01 -0.22 0.00 -1.04 0.00 0.00 56.93 55.62 2ple s PHE 34 Cb -0.03 -1.53 0.05 0.00 -1.21 0.00 0.00 43.02 40.30 2ple s PHE 34 CO 0.04 0.51 0.55 -0.51 -1.34 0.00 0.00 175.22 174.47 2ple s LEU 35 N -3.39 -0.10 0.32 -1.99 1.43 0.12 -4.94 118.68 110.14 2ple s LEU 35 Ca 0.33 0.79 0.09 0.00 -1.03 0.00 0.00 54.13 54.31 2ple s LEU 35 Cb -0.10 1.98 -0.05 0.00 0.03 0.00 0.00 46.19 48.05 2ple s LEU 35 CO 0.26 -0.37 0.03 -0.69 0.23 0.00 0.00 176.35 175.80 2ple s VAL 36 N -0.48 2.87 0.01 -1.59 1.01 -0.78 0.36 120.40 121.79 2ple s VAL 36 Ca -0.06 -1.92 -0.01 0.00 0.00 0.00 0.00 61.98 59.99 2ple s VAL 36 Cb -0.03 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.53 2ple s VAL 36 CO 0.04 -0.24 0.05 -2.11 0.00 0.00 0.00 175.10 172.84 2ple n ARG 37 N -0.97 0.04 -4.84 2.72 0.00 -0.75 -1.95 116.66 110.91 2ple n ARG 37 Ca -0.04 -0.09 -0.26 0.00 -0.00 0.00 0.00 57.85 57.46 2ple n ARG 37 Cb 0.61 0.11 -0.16 0.00 -0.00 0.00 0.00 32.46 33.03 2ple n ARG 37 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2ple s LYS 38 N -2.00 1.65 1.10 2.89 2.47 -0.73 -2.03 119.74 123.09 2ple s LYS 38 Ca 0.01 -0.62 -0.19 0.00 -1.56 0.00 0.00 55.97 53.62 2ple s LYS 38 Cb -0.00 -1.49 0.27 0.00 -1.46 0.00 0.00 37.83 35.15 2ple s LYS 38 CO 0.00 0.29 1.19 -2.13 0.16 0.00 0.00 175.35 174.87 2ple n ARG 39 N 2.96 -2.27 -0.66 4.03 3.00 -1.26 -4.84 116.66 117.62 2ple n ARG 39 Ca -0.17 -1.88 -0.08 0.00 -0.00 0.00 0.00 57.85 55.72 2ple n ARG 39 Cb 0.53 -1.50 0.02 0.00 0.00 0.00 0.00 32.46 31.52 2ple n ARG 39 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2ple n ASN 40 N -4.39 5.62 -3.59 6.15 0.23 -1.26 -4.79 115.26 113.23 2ple n ASN 40 Ca 0.16 -2.72 -0.11 0.00 -0.53 0.00 0.00 54.58 51.38 2ple n ASN 40 Cb 0.58 -1.03 -0.06 0.00 -2.08 0.00 0.00 39.78 37.19 2ple n ASN 40 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 2ple s GLU 41 N -0.95 0.65 -0.05 -3.83 2.12 -1.26 -5.03 118.70 110.35 2ple s GLU 41 Ca 0.16 0.36 -0.00 0.00 0.36 0.00 0.00 54.97 55.85 2ple s GLU 41 Cb 0.13 0.31 0.03 0.00 0.26 0.00 0.00 34.13 34.86 2ple s GLU 41 CO 0.00 -0.16 1.96 -0.35 -0.54 0.00 0.00 175.26 176.18 2ple n PRO 42 N 1.36 1.12 -0.01 4.30 -0.04 -1.26 -3.92 135.00 136.56 2ple n PRO 42 Ca -0.12 -0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 2ple n PRO 42 Cb 0.57 -1.09 0.01 0.00 -0.04 0.00 0.00 33.50 32.94 2ple n PRO 42 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2ple n ASN 43 N 1.28 1.81 0.00 3.54 0.23 -1.26 -5.03 115.26 115.83 2ple n ASN 43 Ca 0.05 -1.75 0.00 0.00 -0.53 0.00 0.00 54.58 52.35 2ple n ASN 43 Cb 0.51 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 2ple n ASN 43 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2ple n SER 44 N -0.30 0.00 -0.70 0.53 3.41 -1.25 -3.59 113.62 111.72 2ple n SER 44 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2ple n SER 44 Cb 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 2ple n SER 44 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2ple n TYR 45 N -0.69 -0.33 -3.88 7.33 4.01 -0.93 -4.10 117.16 118.58 2ple n TYR 45 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 2ple n TYR 45 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 2ple n TYR 45 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ple s ALA 46 N -2.00 -0.34 -0.36 -0.72 0.00 -0.86 -3.49 121.76 113.99 2ple s ALA 46 Ca 0.00 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.33 2ple s ALA 46 Cb 0.00 0.85 0.15 0.00 0.00 0.00 0.00 23.12 24.12 2ple s ALA 46 CO 0.00 -0.70 0.30 0.42 0.00 0.00 0.00 175.76 175.78 2ple s ILE 47 N -3.93 -0.14 0.12 0.00 1.01 0.12 -1.80 121.20 116.58 2ple s ILE 47 Ca 0.14 -1.27 -0.26 0.00 0.00 0.00 0.00 60.65 59.26 2ple s ILE 47 Cb 0.02 -0.86 -0.07 0.00 0.01 0.00 0.00 42.46 41.55 2ple s ILE 47 CO -0.01 -0.75 0.79 -0.94 0.00 0.00 0.00 174.94 174.03 2ple s SER 48 N 1.31 7.34 -0.01 3.58 1.04 0.16 -1.41 113.70 125.72 2ple s SER 48 Ca 0.17 1.59 -0.28 0.00 0.48 0.00 0.00 55.95 57.91 2ple s SER 48 Cb -0.18 -2.50 0.08 0.00 0.10 0.00 0.00 66.02 63.52 2ple s SER 48 CO -0.03 0.12 0.73 0.72 0.98 0.00 0.00 173.24 175.76 2ple s PHE 49 N -0.66 -0.55 0.06 5.02 -0.71 -0.80 0.14 117.98 120.48 2ple s PHE 49 Ca 0.38 0.74 0.05 0.00 -1.04 0.00 0.00 56.93 57.06 2ple s PHE 49 Cb -0.22 0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 42.02 2ple s PHE 49 CO 0.25 -0.63 -0.08 1.03 -1.34 0.00 0.00 175.22 174.46 2ple s ARG 50 N -2.07 2.35 -0.03 1.99 0.52 -0.77 -2.31 118.95 118.64 2ple s ARG 50 Ca -0.05 -0.88 -0.18 0.00 -0.52 0.00 0.00 55.73 54.10 2ple s ARG 50 Cb -0.00 -2.41 0.03 0.00 0.52 0.00 0.00 34.95 33.09 2ple s ARG 50 CO 0.01 0.55 0.40 0.00 0.02 0.00 0.00 175.30 176.27 2ple s ALA 51 N -1.12 -1.01 0.00 2.13 0.00 -1.09 -2.30 121.76 118.36 2ple s ALA 51 Ca 0.20 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2ple s ALA 51 Cb -0.11 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.04 2ple s ALA 51 CO 0.11 -0.28 0.00 0.39 0.00 0.00 0.00 175.76 175.98 2ple n GLU 52 N 1.26 0.00 0.00 0.00 -0.58 -1.25 -1.73 120.64 118.34 2ple n GLU 52 Ca -0.21 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.53 2ple n GLU 52 Cb 0.56 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.43 2ple n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ple n GLY 53 N 0.00 -0.45 0.00 0.62 0.00 -1.26 -3.86 105.19 100.24 2ple n GLY 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ple n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ple n LYS 54 N -0.03 1.89 -3.70 1.61 4.01 -0.70 -4.73 118.16 116.52 2ple n LYS 54 Ca 0.00 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.68 2ple n LYS 54 Cb 0.31 0.00 -0.12 0.00 -0.51 0.00 0.00 35.03 34.71 2ple n LYS 54 CO 0.00 0.00 0.00 -1.50 -1.11 0.00 0.00 177.40 174.79 2ple s ILE 55 N -0.43 -0.13 0.29 -0.18 -1.16 -1.26 -2.68 121.20 115.65 2ple s ILE 55 Ca 0.00 0.15 0.05 0.00 -0.51 0.00 0.00 60.65 60.34 2ple s ILE 55 Cb 0.00 -0.48 -0.02 0.00 0.61 0.00 0.00 42.46 42.57 2ple s ILE 55 CO 0.00 0.06 0.17 2.29 -2.81 0.00 0.00 174.94 174.65 2ple n LYS 56 N 4.48 0.49 -3.49 3.50 0.00 -0.98 -5.02 118.16 117.14 2ple n LYS 56 Ca -0.21 -2.66 -0.04 0.00 -0.00 0.00 0.00 58.31 55.40 2ple n LYS 56 Cb 0.53 1.80 -0.06 0.00 -0.00 0.00 0.00 35.03 37.30 2ple n LYS 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2ple s HIS 57 N -2.91 -1.12 0.16 5.58 0.09 -1.26 -1.91 115.29 113.93 2ple s HIS 57 Ca 0.24 1.64 -0.21 0.00 -0.00 0.00 0.00 55.06 56.73 2ple s HIS 57 Cb 0.01 0.43 -0.08 0.00 -0.00 0.00 0.00 32.58 32.95 2ple s HIS 57 CO 0.17 -0.66 0.69 0.00 -0.00 0.00 0.00 174.74 174.93 2ple s ARG 59 N -1.47 2.19 -0.00 0.00 1.04 -1.26 0.14 118.95 119.58 2ple s ARG 59 Ca 0.36 -2.26 0.01 0.00 -1.04 0.00 0.00 55.73 52.80 2ple s ARG 59 Cb -0.19 -1.68 0.00 0.00 -2.04 0.00 0.00 34.95 31.03 2ple s ARG 59 CO 0.22 -0.37 -0.02 0.08 -0.04 0.00 0.00 175.30 175.18 2ple s VAL 60 N -2.82 0.14 0.67 4.99 1.01 -1.23 -4.96 120.40 118.20 2ple s VAL 60 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2ple s VAL 60 Cb 0.02 -0.14 0.10 0.00 0.00 0.00 0.00 36.38 36.36 2ple s VAL 60 CO 0.09 0.05 0.93 -1.58 0.00 0.00 0.00 175.10 174.59 2ple s GLN 61 N 0.05 1.92 -0.19 2.72 2.00 -1.02 -2.18 119.66 122.97 2ple s GLN 61 Ca -0.00 -1.06 0.01 0.00 -2.00 0.00 0.00 55.36 52.31 2ple s GLN 61 Cb -0.02 -2.38 0.04 0.00 0.80 0.00 0.00 33.01 31.45 2ple s GLN 61 CO -0.00 -1.24 -0.11 -1.14 -0.50 0.00 0.00 175.29 172.30 2ple s GLN 62 N -5.03 2.07 -0.96 1.67 0.74 -1.24 -1.84 119.66 115.09 2ple s GLN 62 Ca 0.64 -0.81 -0.07 0.00 0.05 0.00 0.00 55.36 55.17 2ple s GLN 62 Cb -0.07 -2.38 0.24 0.00 1.10 0.00 0.00 33.01 31.91 2ple s GLN 62 CO 0.43 -0.40 0.89 -2.00 -0.55 0.00 0.00 175.29 173.66 2ple s GLU 63 N 1.41 3.69 2.74 1.67 2.12 -0.64 -4.87 118.70 124.81 2ple s GLU 63 Ca -0.00 -3.04 0.00 0.00 0.36 0.00 0.00 54.97 52.28 2ple s GLU 63 Cb -0.16 -4.29 0.00 0.00 0.26 0.00 0.00 34.13 29.94 2ple s GLU 63 CO -0.09 -1.25 0.00 0.41 -0.54 0.00 0.00 175.26 173.79 2ple n GLY 64 N 2.89 1.22 0.00 -1.50 0.00 -1.26 -2.05 105.19 104.49 2ple n GLY 64 Ca 0.20 0.31 0.03 0.00 0.00 0.00 0.00 46.02 46.55 2ple n GLY 64 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ple n GLN 65 N 0.00 1.49 -1.65 1.61 7.27 -1.26 -5.03 117.38 119.81 2ple n GLN 65 Ca 0.00 -0.03 -0.10 0.00 0.07 0.00 0.00 57.00 56.93 2ple n GLN 65 Cb 0.00 -1.02 0.05 0.00 2.41 0.00 0.00 30.24 31.67 2ple n GLN 65 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 2ple n THR 66 N -1.53 0.00 -4.87 1.69 -1.04 -0.87 -4.86 114.28 102.80 2ple n THR 66 Ca -0.00 -0.78 -0.26 0.00 -2.04 0.00 0.00 64.05 60.96 2ple n THR 66 Cb 0.12 -1.03 -0.16 0.00 -1.82 0.00 0.00 70.33 67.44 2ple n THR 66 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2ple s VAL 67 N -1.09 1.47 -1.00 12.58 -7.23 -1.22 -1.63 120.40 122.28 2ple s VAL 67 Ca 0.30 -0.75 -0.22 0.00 -1.81 0.00 0.00 61.98 59.50 2ple s VAL 67 Cb -0.02 -1.26 0.07 0.00 0.56 0.00 0.00 36.38 35.74 2ple s VAL 67 CO 0.20 0.42 1.36 -0.04 -0.31 0.00 0.00 175.10 176.73 2ple s MET 68 N -0.03 3.59 -0.04 4.82 -1.94 -0.77 -1.87 119.30 123.08 2ple s MET 68 Ca -0.02 -1.29 -0.19 0.00 -1.71 0.00 0.00 55.69 52.47 2ple s MET 68 Cb -0.11 -5.24 -0.13 0.00 2.01 0.00 0.00 34.83 31.36 2ple s MET 68 CO 0.02 -2.09 0.83 1.25 -0.01 0.00 0.00 175.02 175.01 2ple h LEU 69 N 12.16 -0.32 0.00 -0.03 7.12 -1.75 -2.69 115.31 129.80 2ple h LEU 69 Ca 0.19 -0.19 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2ple h LEU 69 Cb 1.01 0.08 0.00 0.00 -0.53 0.00 0.00 40.66 41.23 2ple h LEU 69 CO 1.34 0.17 0.00 0.61 -0.13 0.00 0.00 178.44 180.43 2ple n GLY 70 N 0.40 -1.82 0.01 3.75 0.00 -1.26 -4.83 105.19 101.44 2ple n GLY 70 Ca -0.08 0.40 0.07 0.00 0.00 0.00 0.00 46.02 46.42 2ple n GLY 70 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ple n ASN 71 N -3.07 1.13 -0.70 1.61 2.85 -1.26 -5.05 115.26 110.77 2ple n ASN 71 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2ple n ASN 71 Cb 0.00 1.71 0.00 0.00 1.24 0.00 0.00 39.78 42.73 2ple n ASN 71 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2ple n SER 72 N -2.12 0.00 -4.77 1.20 7.64 -1.26 -5.14 113.62 109.16 2ple n SER 72 Ca -0.05 -0.70 -0.36 0.00 1.01 0.00 0.00 58.87 58.77 2ple n SER 72 Cb 0.48 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.61 2ple n SER 72 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2ple s GLU 73 N -1.11 3.97 0.56 1.43 -1.05 -1.26 -2.32 118.70 118.91 2ple s GLU 73 Ca 0.00 -0.18 0.09 0.00 -0.15 0.00 0.00 54.97 54.73 2ple s GLU 73 Cb 0.00 -3.35 0.07 0.00 -0.44 0.00 0.00 34.13 30.41 2ple s GLU 73 CO 0.00 0.44 0.73 0.12 0.95 0.00 0.00 175.26 177.50 2ple s PHE 74 N -0.05 1.56 0.11 4.83 5.36 -0.78 -4.86 117.98 124.16 2ple s PHE 74 Ca 0.10 -0.71 -0.21 0.00 -0.96 0.00 0.00 56.93 55.16 2ple s PHE 74 Cb -0.11 -2.19 -0.07 0.00 -0.34 0.00 0.00 43.02 40.30 2ple s PHE 74 CO -0.00 -1.02 1.74 0.22 -1.46 0.00 0.00 175.22 174.70 2ple h ASP 75 N 0.28 0.02 0.00 6.13 1.82 -1.91 -3.24 116.42 119.52 2ple h ASP 75 Ca -0.31 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.34 2ple h ASP 75 Cb 1.29 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.32 2ple h ASP 75 CO 0.43 0.03 0.00 -1.54 -1.61 0.00 0.00 179.24 176.55 2ple n SER 76 N -5.08 0.14 -0.05 2.28 3.41 -1.26 -4.63 113.62 108.43 2ple n SER 76 Ca -0.04 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.38 2ple n SER 76 Cb 0.07 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.89 2ple n SER 76 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2ple h LEU 77 N 0.00 0.15 -0.73 1.04 3.38 -1.94 -2.81 115.31 114.40 2ple h LEU 77 Ca 0.00 -0.82 -0.09 0.00 0.09 0.00 0.00 57.88 57.06 2ple h LEU 77 Cb 0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2ple h LEU 77 CO 0.00 1.35 -0.02 1.62 0.09 0.00 0.00 178.44 181.48 2ple h VAL 78 N -0.74 1.26 0.00 1.22 3.04 -1.87 -2.12 116.25 117.04 2ple h VAL 78 Ca -0.20 -1.12 -0.06 0.00 -1.01 0.00 0.00 66.70 64.31 2ple h VAL 78 Cb 1.36 0.85 -0.01 0.00 -2.01 0.00 0.00 31.29 31.48 2ple h VAL 78 CO -0.03 0.40 -0.28 0.44 -1.01 0.00 0.00 177.57 177.09 2ple h ASP 79 N 0.88 0.00 -0.29 3.17 5.19 -1.93 -0.10 116.42 123.34 2ple h ASP 79 Ca 0.16 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.39 2ple h ASP 79 Cb 0.54 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.05 2ple h ASP 79 CO 0.03 0.28 -0.52 0.25 -3.12 0.00 0.00 179.24 176.16 2ple h LEU 80 N 0.00 0.96 -0.10 1.55 6.46 -1.12 -2.62 115.31 120.43 2ple h LEU 80 Ca -0.00 -0.53 0.00 0.00 -0.12 0.00 0.00 57.88 57.23 2ple h LEU 80 Cb 0.76 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 2ple h LEU 80 CO 0.04 1.30 0.00 0.40 -0.62 0.00 0.00 178.44 179.56 2ple h ILE 81 N 0.64 0.00 0.37 4.05 5.03 -1.16 -2.33 117.51 124.11 2ple h ILE 81 Ca 0.02 -0.76 -0.02 0.00 -0.12 0.00 0.00 64.86 63.98 2ple h ILE 81 Cb 1.13 1.75 0.00 0.00 -3.03 0.00 0.00 36.82 36.68 2ple h ILE 81 CO 0.12 0.00 -0.18 0.28 -0.68 0.00 0.00 178.15 177.69 2ple h SER 82 N 0.00 -0.42 0.95 1.72 0.02 -0.65 -0.16 113.55 115.01 2ple h SER 82 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2ple h SER 82 Cb 0.86 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.51 2ple h SER 82 CO 0.00 -0.19 0.00 0.10 -1.14 0.00 0.00 176.83 175.60 2ple h TYR 83 N -0.72 0.00 0.00 3.45 -0.00 -1.62 -1.99 116.97 116.09 2ple h TYR 83 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.68 2ple h TYR 83 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.11 2ple h TYR 83 CO 0.06 0.00 0.00 -0.92 -0.00 0.00 0.00 178.16 177.30 2ple h TYR 84 N 0.00 0.00 0.00 0.10 3.20 -1.36 -1.89 116.97 117.02 2ple h TYR 84 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2ple h TYR 84 Cb 0.48 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.75 2ple h TYR 84 CO 0.00 0.00 0.00 0.93 -1.64 0.00 0.00 178.16 177.45 2ple h GLU 85 N 0.00 0.00 0.00 1.82 4.39 -0.22 -2.74 114.58 117.83 2ple h GLU 85 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ple h GLU 85 Cb 0.88 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 2ple h GLU 85 CO 0.00 0.00 -0.80 1.63 -1.16 0.00 0.00 179.01 178.68 2ple n LYS 86 N -2.96 1.76 -4.20 2.33 4.76 -1.17 -5.03 118.16 113.64 2ple n LYS 86 Ca -0.01 -0.01 -0.23 0.00 -2.87 0.00 0.00 58.31 55.19 2ple n LYS 86 Cb 0.16 -0.91 -0.06 0.00 -1.84 0.00 0.00 35.03 32.38 2ple n LYS 86 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2ple s HIS 87 N -1.84 2.90 0.37 2.13 3.76 -0.72 -5.11 115.29 116.78 2ple s HIS 87 Ca -0.00 -0.16 -0.24 0.00 -0.15 0.00 0.00 55.06 54.51 2ple s HIS 87 Cb 0.01 -1.31 -0.10 0.00 1.11 0.00 0.00 32.58 32.29 2ple s HIS 87 CO 0.06 0.57 0.94 -1.25 -0.85 0.00 0.00 174.74 174.21 2ple s PRO 88 N -3.67 4.41 0.00 8.40 0.04 -1.26 -4.57 135.00 138.35 2ple s PRO 88 Ca 0.32 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.58 2ple s PRO 88 Cb -0.07 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.96 2ple s PRO 88 CO 0.22 0.13 0.00 -0.11 0.04 0.00 0.00 177.00 177.28 2ple n LEU 89 N -0.01 0.16 0.00 -3.56 0.00 -1.17 -4.94 117.00 107.47 2ple n LEU 89 Ca 0.04 0.33 0.00 0.00 0.00 0.00 0.00 56.01 56.38 2ple n LEU 89 Cb 0.52 -0.46 0.00 0.00 0.00 0.00 0.00 43.42 43.48 2ple n LEU 89 CO 0.41 -0.46 0.00 0.00 0.00 0.00 0.00 177.39 177.34 2ple n TYR 90 N -2.04 0.00 0.00 1.96 4.19 -1.26 -4.96 117.16 115.05 2ple n TYR 90 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 2ple n TYR 90 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 2ple n TYR 90 CO 0.00 0.00 0.00 2.89 0.91 0.00 0.00 176.86 180.66 2ple n ARG 91 N 0.00 0.00 -0.58 2.98 -4.01 -1.26 -4.42 116.66 109.37 2ple n ARG 91 Ca 0.00 0.00 -0.06 0.00 -1.04 0.00 0.00 57.85 56.75 2ple n ARG 91 Cb 0.00 0.00 0.14 0.00 -3.04 0.00 0.00 32.46 29.56 2ple n ARG 91 CO 0.00 0.00 0.00 0.36 -3.04 0.00 0.00 177.63 174.95 2ple n LYS 92 N 0.00 2.22 -2.27 2.89 2.85 -1.26 -4.82 118.16 117.77 2ple n LYS 92 Ca 0.00 -1.62 -0.41 0.00 -1.05 0.00 0.00 58.31 55.24 2ple n LYS 92 Cb 0.00 -1.74 -0.03 0.00 -0.65 0.00 0.00 35.03 32.61 2ple n LYS 92 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 2ple s MET 93 N -1.81 4.47 -0.54 -1.58 1.75 -1.26 -4.98 119.30 115.34 2ple s MET 93 Ca 0.30 2.03 0.06 0.00 -1.25 0.00 0.00 55.69 56.83 2ple s MET 93 Cb 0.24 -3.13 0.22 0.00 2.84 0.00 0.00 34.83 34.99 2ple s MET 93 CO 0.07 -0.04 0.55 1.63 -0.65 0.00 0.00 175.02 176.58 2ple n LYS 94 N 1.18 1.44 -1.29 4.11 5.02 -1.26 -3.07 118.16 124.29 2ple n LYS 94 Ca 0.00 -3.96 -0.12 0.00 -2.02 0.00 0.00 58.31 52.22 2ple n LYS 94 Cb 0.43 -1.87 -0.05 0.00 -0.02 0.00 0.00 35.03 33.52 2ple n LYS 94 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2ple n LEU 95 N 1.62 -0.57 -2.06 -0.35 4.32 -1.26 -3.00 117.00 115.70 2ple n LEU 95 Ca 0.25 0.29 -0.01 0.00 -0.02 0.00 0.00 56.01 56.53 2ple n LEU 95 Cb 0.44 -2.41 -0.00 0.00 -1.62 0.00 0.00 43.42 39.83 2ple n LEU 95 CO 0.25 -0.91 -0.00 -1.14 -1.22 0.00 0.00 177.39 174.38 2ple n ARG 96 N -1.16 -2.49 -0.56 3.23 3.00 -1.26 -2.99 116.66 114.44 2ple n ARG 96 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.73 2ple n ARG 96 Cb 0.53 -3.43 0.00 0.00 0.00 0.00 0.00 32.46 29.56 2ple n ARG 96 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2ple n TYR 97 N -1.93 -1.53 -0.33 -0.14 4.01 -1.16 0.18 117.16 116.25 2ple n TYR 97 Ca 0.00 0.82 0.00 0.00 -0.16 0.00 0.00 57.90 58.56 2ple n TYR 97 Cb 0.38 -1.87 0.00 0.00 -0.31 0.00 0.00 39.34 37.54 2ple n TYR 97 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2ple n PRO 98 N -1.00 0.95 -3.76 -0.72 -0.04 -1.26 -2.14 135.00 127.03 2ple n PRO 98 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 2ple n PRO 98 Cb 0.01 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.37 2ple n PRO 98 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2ple s ILE 99 N -0.04 3.60 -0.13 0.52 -1.09 -1.26 -4.80 121.20 117.99 2ple s ILE 99 Ca 0.00 -3.46 -0.09 0.00 -2.23 0.00 0.00 60.65 54.87 2ple s ILE 99 Cb 0.00 -3.33 0.04 0.00 -1.58 0.00 0.00 42.46 37.60 2ple s ILE 99 CO 0.00 -0.94 0.34 0.54 -1.23 0.00 0.00 174.94 173.65 2ple s ASN 100 N -0.01 -0.38 0.10 3.58 4.22 -1.26 -5.15 114.94 116.04 2ple s ASN 100 Ca 0.21 0.70 -0.09 0.00 -2.14 0.00 0.00 52.86 51.55 2ple s ASN 100 Cb -0.15 0.64 0.03 0.00 1.28 0.00 0.00 41.25 43.05 2ple s ASN 100 CO -0.07 -0.15 0.42 1.21 -2.04 0.00 0.00 177.10 176.47 2ple n GLU 101 N 3.63 0.32 0.04 3.55 2.13 -1.26 -4.99 120.64 124.05 2ple n GLU 101 Ca -0.19 -0.69 0.10 0.00 0.66 0.00 0.00 57.16 57.04 2ple n GLU 101 Cb 0.56 0.92 0.41 0.00 0.27 0.00 0.00 31.44 33.59 2ple n GLU 101 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2ple n GLU 102 N -0.29 0.07 -3.80 5.31 1.02 -1.26 -4.82 120.64 116.87 2ple n GLU 102 Ca -0.01 0.26 -0.09 0.00 -0.02 0.00 0.00 57.16 57.30 2ple n GLU 102 Cb 0.25 -1.62 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 2ple n GLU 102 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2ple s ASN 103 N -3.45 -0.27 -0.16 1.62 2.20 -1.26 -5.15 114.94 108.48 2ple s ASN 103 Ca 0.07 -0.56 -0.11 0.00 -0.94 0.00 0.00 52.86 51.33 2ple s ASN 103 Cb 0.11 0.65 -0.05 0.00 -2.00 0.00 0.00 41.25 39.96 2ple s ASN 103 CO 0.36 -1.19 0.19 -0.94 -2.94 0.00 0.00 177.10 172.58 2ple s SER 104 N -2.90 6.35 0.00 3.54 1.04 -1.26 -4.99 113.70 115.47 2ple s SER 104 Ca 0.11 0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.95 2ple s SER 104 Cb -0.03 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 63.97 2ple s SER 104 CO 0.02 0.22 0.00 -1.20 0.98 0.00 0.00 173.24 173.26