#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 -0.23 -4.09 1.61 0.02 -2.10 -3.42 113.55 105.34 2ple h SER 2 Ca 0.00 0.02 -0.45 0.00 -0.84 0.00 0.00 61.79 60.52 2ple h SER 2 Cb 0.00 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2ple h SER 2 CO 0.00 -0.14 0.35 -2.16 -1.14 0.00 0.00 176.83 173.74 2ple s PRO 3 N -6.16 4.14 0.00 3.45 0.04 -1.26 -5.07 135.00 130.14 2ple s PRO 3 Ca -0.14 1.09 0.00 0.00 0.04 0.00 0.00 61.00 61.99 2ple s PRO 3 Cb 0.06 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2ple s PRO 3 CO 0.66 -0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.99 2ple n GLY 4 N -0.84 1.16 0.51 0.56 0.00 -1.26 -5.09 105.19 100.22 2ple n GLY 4 Ca 0.07 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 2ple n GLY 4 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ple n ILE 5 N -0.00 1.22 -2.53 -0.61 -0.00 -1.26 -4.99 119.36 111.19 2ple n ILE 5 Ca 0.00 0.11 -0.00 0.00 -0.00 0.00 0.00 62.75 62.85 2ple n ILE 5 Cb 0.00 -1.92 0.00 0.00 -0.00 0.00 0.00 39.64 37.72 2ple n ILE 5 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.55 178.12 2ple n HIS 6 N -3.94 -0.14 -3.88 4.28 -0.00 -1.26 -5.16 115.22 105.13 2ple n HIS 6 Ca -0.15 -0.16 -0.09 0.00 0.46 0.00 0.00 57.72 57.77 2ple n HIS 6 Cb 0.43 0.67 -0.08 0.00 -0.12 0.00 0.00 29.99 30.89 2ple n HIS 6 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 2ple s GLU 7 N 0.01 0.78 0.00 1.57 -1.05 -1.26 -5.03 118.70 113.71 2ple s GLU 7 Ca 0.01 -0.90 0.00 0.00 -0.15 0.00 0.00 54.97 53.93 2ple s GLU 7 Cb 0.03 0.31 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 2ple s GLU 7 CO -0.01 -0.23 0.00 0.45 0.95 0.00 0.00 175.26 176.42 2ple n SER 8 N 0.16 0.00 0.00 0.83 2.88 -1.26 -5.06 113.62 111.17 2ple n SER 8 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 2ple n SER 8 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 2ple n SER 8 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2ple n LYS 9 N -0.78 0.49 0.00 -1.46 4.01 -1.26 -4.75 118.16 114.40 2ple n LYS 9 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2ple n LYS 9 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 2ple n LYS 9 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 2ple n GLU 10 N 0.00 0.00 -0.19 1.97 4.07 -1.26 -2.72 120.64 122.52 2ple n GLU 10 Ca 0.00 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.15 2ple n GLU 10 Cb 0.00 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 31.45 2ple n GLU 10 CO 0.00 0.00 0.00 -2.67 -0.06 0.00 0.00 177.13 174.40 2ple n TRP 11 N 0.00 0.00 -3.14 4.31 4.27 -1.26 -4.96 117.44 116.67 2ple n TRP 11 Ca 0.00 -0.56 -0.43 0.00 -3.89 0.00 0.00 57.50 52.61 2ple n TRP 11 Cb 0.00 -0.10 -0.07 0.00 -1.36 0.00 0.00 31.31 29.79 2ple n TRP 11 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 2ple s TYR 12 N -1.57 3.06 0.02 -2.67 5.04 -1.10 -1.09 117.35 119.03 2ple s TYR 12 Ca 0.16 -0.24 0.08 0.00 -2.44 0.00 0.00 57.07 54.63 2ple s TYR 12 Cb 0.14 -3.39 -0.02 0.00 0.35 0.00 0.00 41.96 39.04 2ple s TYR 12 CO 0.02 -0.93 -0.23 -1.01 -1.34 0.00 0.00 175.55 172.06 2ple s HIS 13 N 2.74 2.08 -0.49 4.97 3.76 -0.70 -4.79 115.29 122.86 2ple s HIS 13 Ca 0.19 -0.39 0.05 0.00 -0.15 0.00 0.00 55.06 54.76 2ple s HIS 13 Cb -0.16 -1.28 0.22 0.00 1.11 0.00 0.00 32.58 32.47 2ple s HIS 13 CO 0.16 0.05 0.85 0.00 -0.85 0.00 0.00 174.74 174.95 2ple n ALA 14 N 2.11 -1.86 -2.68 -1.40 0.00 -1.26 -1.64 120.51 113.79 2ple n ALA 14 Ca -0.16 -1.11 -0.05 0.00 0.00 0.00 0.00 53.44 52.12 2ple n ALA 14 Cb 0.52 -1.61 0.11 0.00 0.00 0.00 0.00 19.45 18.48 2ple n ALA 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ple n SER 15 N 2.23 -1.63 -3.22 0.00 2.88 -1.26 -5.03 113.62 107.60 2ple n SER 15 Ca 0.13 -2.28 -0.07 0.00 -1.33 0.00 0.00 58.87 55.32 2ple n SER 15 Cb 0.61 0.85 0.01 0.00 -0.75 0.00 0.00 64.21 64.93 2ple n SER 15 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 2ple s LEU 16 N -3.42 -0.05 0.00 2.46 2.34 -1.26 -5.14 118.68 113.61 2ple s LEU 16 Ca 0.15 -0.92 -0.06 0.00 0.06 0.00 0.00 54.13 53.36 2ple s LEU 16 Cb 0.39 2.65 0.12 0.00 -0.56 0.00 0.00 46.19 48.79 2ple s LEU 16 CO -0.10 -1.46 0.73 0.41 -1.06 0.00 0.00 176.35 174.87 2ple n THR 17 N -0.55 0.00 0.02 5.48 -1.04 -1.26 -4.96 114.28 111.98 2ple n THR 17 Ca -0.07 -0.77 -0.19 0.00 -2.04 0.00 0.00 64.05 60.98 2ple n THR 17 Cb 0.60 -1.42 -0.10 0.00 -1.82 0.00 0.00 70.33 67.59 2ple n THR 17 CO 0.00 0.00 0.00 0.08 -0.64 0.00 0.00 175.07 174.51 2ple h ARG 18 N 0.00 0.64 0.00 -2.82 0.11 -2.00 -3.21 114.38 107.11 2ple h ARG 18 Ca -0.24 -0.66 0.00 0.00 0.10 0.00 0.00 59.98 59.18 2ple h ARG 18 Cb 0.74 0.18 0.00 0.00 1.11 0.00 0.00 29.97 32.00 2ple h ARG 18 CO 0.20 1.26 -0.41 0.00 0.10 0.00 0.00 179.97 181.12 2ple h ALA 19 N 0.40 0.76 0.00 0.08 0.00 -2.04 -3.24 119.26 115.22 2ple h ALA 19 Ca -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2ple h ALA 19 Cb 1.55 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 2ple h ALA 19 CO 0.18 0.00 -0.08 0.37 0.00 0.00 0.00 179.25 179.71 2ple h GLN 20 N 0.00 0.00 0.00 0.00 4.15 -1.92 -2.36 115.11 114.98 2ple h GLN 20 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2ple h GLN 20 Cb 0.85 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.53 2ple h GLN 20 CO 0.00 0.08 -0.11 0.00 -1.93 0.00 0.00 178.83 176.87 2ple h ALA 21 N 1.92 1.34 -0.13 3.38 0.00 -1.60 -1.98 119.26 122.18 2ple h ALA 21 Ca -0.00 -0.10 -0.22 0.00 0.00 0.00 0.00 54.91 54.59 2ple h ALA 21 Cb 0.49 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.27 2ple h ALA 21 CO 0.01 0.13 -0.80 0.93 0.00 0.00 0.00 179.25 179.53 2ple h GLU 22 N 0.00 0.74 -0.03 0.00 4.39 -1.65 -2.45 114.58 115.58 2ple h GLU 22 Ca -0.00 -0.62 -0.13 0.00 0.34 0.00 0.00 59.36 58.95 2ple h GLU 22 Cb 0.29 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 2ple h GLU 22 CO 0.01 1.23 -0.58 0.45 -1.16 0.00 0.00 179.01 178.96 2ple h HIS 23 N 0.49 0.11 0.03 4.33 3.86 -1.52 -2.19 115.15 120.27 2ple h HIS 23 Ca -0.06 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.11 2ple h HIS 23 Cb 1.42 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.87 2ple h HIS 23 CO 0.08 0.65 -0.02 0.52 0.86 0.00 0.00 177.93 180.02 2ple h MET 24 N 0.07 -0.04 0.00 2.45 2.86 -1.34 0.29 114.93 119.22 2ple h MET 24 Ca -0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2ple h MET 24 Cb 1.04 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.71 2ple h MET 24 CO 0.08 0.44 -0.10 -0.07 1.06 0.00 0.00 176.91 178.32 2ple h LEU 25 N -0.54 0.00 0.00 1.22 3.38 -1.44 -1.02 115.31 116.90 2ple h LEU 25 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ple h LEU 25 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2ple h LEU 25 CO 0.01 0.10 -0.57 -0.03 0.09 0.00 0.00 178.44 178.04 2ple h MET 26 N 0.00 0.00 -0.54 1.13 4.05 -1.24 -3.30 114.93 115.02 2ple h MET 26 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2ple h MET 26 Cb 0.20 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 2ple h MET 26 CO 0.01 0.00 0.00 0.54 0.23 0.00 0.00 176.91 177.69 2ple n ARG 27 N -2.78 2.85 -2.87 0.39 1.74 0.08 -4.98 116.66 111.09 2ple n ARG 27 Ca 0.02 -2.40 -0.31 0.00 -0.77 0.00 0.00 57.85 54.39 2ple n ARG 27 Cb 0.53 -1.45 -0.04 0.00 -1.02 0.00 0.00 32.46 30.48 2ple n ARG 27 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2ple s VAL 28 N -1.08 4.70 -0.05 1.55 -7.23 -0.53 -4.94 120.40 112.82 2ple s VAL 28 Ca 0.37 0.83 -0.00 0.00 -1.81 0.00 0.00 61.98 61.37 2ple s VAL 28 Cb 0.20 -3.69 0.04 0.00 0.56 0.00 0.00 36.38 33.49 2ple s VAL 28 CO 0.24 -0.44 1.83 -0.81 -0.31 0.00 0.00 175.10 175.61 2ple n PRO 29 N -1.05 1.14 -3.77 4.82 -0.04 -1.26 -4.80 135.00 130.05 2ple n PRO 29 Ca 0.03 -0.28 -0.13 0.00 -0.04 0.00 0.00 63.50 63.09 2ple n PRO 29 Cb 0.54 -1.11 -0.12 0.00 -0.04 0.00 0.00 33.50 32.77 2ple n PRO 29 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2ple s ARG 30 N -0.33 0.28 -0.99 0.54 3.00 -1.26 -4.86 118.95 115.34 2ple s ARG 30 Ca 0.06 0.41 -0.04 0.00 0.00 0.00 0.00 55.73 56.16 2ple s ARG 30 Cb 0.04 0.08 0.25 0.00 0.00 0.00 0.00 34.95 35.32 2ple s ARG 30 CO 0.00 -0.07 0.95 -0.25 0.00 0.00 0.00 175.30 175.94 2ple n ASP 31 N 3.29 4.82 0.00 0.23 9.92 -1.26 -4.83 116.55 128.72 2ple n ASP 31 Ca -0.16 -3.13 0.00 0.00 -0.53 0.00 0.00 54.79 50.97 2ple n ASP 31 Cb 0.57 -1.17 0.00 0.00 -0.64 0.00 0.00 41.12 39.87 2ple n ASP 31 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ple n GLY 32 N 2.32 2.31 3.54 0.44 0.00 -1.26 -2.77 105.19 109.78 2ple n GLY 32 Ca 0.23 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.82 -0.15 4.61 0.00 -0.96 -4.21 121.76 119.23 2ple s ALA 33 Ca 0.00 1.41 -0.04 0.00 0.00 0.00 0.00 51.96 53.33 2ple s ALA 33 Cb 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 2ple s ALA 33 CO 0.00 -0.35 -0.00 -0.59 0.00 0.00 0.00 175.76 174.82 2ple s PHE 34 N -1.14 3.11 0.17 0.00 -0.12 -0.83 -1.81 117.98 117.37 2ple s PHE 34 Ca -0.08 -0.09 0.03 0.00 -0.05 0.00 0.00 56.93 56.74 2ple s PHE 34 Cb -0.00 -1.95 -0.01 0.00 -0.63 0.00 0.00 43.02 40.43 2ple s PHE 34 CO 0.07 0.13 0.17 1.28 -0.05 0.00 0.00 175.22 176.82 2ple n LEU 35 N 3.22 0.00 -3.96 -1.99 4.32 -0.32 -4.96 117.00 113.31 2ple n LEU 35 Ca -0.17 -1.57 -0.09 0.00 -0.02 0.00 0.00 56.01 54.15 2ple n LEU 35 Cb 0.53 0.97 -0.06 0.00 -1.62 0.00 0.00 43.42 43.24 2ple n LEU 35 CO 0.33 -0.29 0.13 -0.69 -1.22 0.00 0.00 177.39 175.65 2ple s VAL 36 N -2.67 0.02 0.00 4.08 1.01 -0.25 -1.98 120.40 120.61 2ple s VAL 36 Ca 0.19 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.83 2ple s VAL 36 Cb 0.01 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.34 2ple s VAL 36 CO 0.13 -0.08 0.00 -2.11 0.00 0.00 0.00 175.10 173.04 2ple n ARG 37 N -0.33 0.00 -4.70 2.72 0.00 -0.01 -1.72 116.66 112.62 2ple n ARG 37 Ca -0.04 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.58 2ple n ARG 37 Cb 0.62 0.00 -0.15 0.00 -0.00 0.00 0.00 32.46 32.93 2ple n ARG 37 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2ple s LYS 38 N -1.79 1.25 0.00 2.89 -0.14 -0.65 -2.22 119.74 119.08 2ple s LYS 38 Ca 0.00 -0.60 0.00 0.00 -1.36 0.00 0.00 55.97 54.01 2ple s LYS 38 Cb 0.00 -1.22 0.00 0.00 -1.68 0.00 0.00 37.83 34.93 2ple s LYS 38 CO 0.00 0.33 0.00 0.54 -0.76 0.00 0.00 175.35 175.46 2ple n ARG 39 N 2.58 0.18 -0.79 1.68 5.12 -1.20 -4.84 116.66 119.38 2ple n ARG 39 Ca -0.15 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.65 2ple n ARG 39 Cb 0.55 0.00 0.02 0.00 -1.16 0.00 0.00 32.46 31.87 2ple n ARG 39 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2ple n ASN 40 N -1.63 6.11 -3.76 0.55 6.94 -1.26 -4.83 115.26 117.39 2ple n ASN 40 Ca 0.00 -2.86 -0.12 0.00 -0.02 0.00 0.00 54.58 51.58 2ple n ASN 40 Cb 0.00 -1.09 -0.08 0.00 -2.36 0.00 0.00 39.78 36.25 2ple n ASN 40 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2ple s GLU 41 N -1.22 0.77 0.00 -3.83 2.02 -1.26 -5.02 118.70 110.16 2ple s GLU 41 Ca 0.23 -0.42 0.30 0.00 0.02 0.00 0.00 54.97 55.10 2ple s GLU 41 Cb 0.17 0.33 1.61 0.00 0.10 0.00 0.00 34.13 36.35 2ple s GLU 41 CO -0.01 -0.24 2.07 -0.35 0.02 0.00 0.00 175.26 176.75 2ple n PRO 42 N 0.78 0.61 -3.27 0.39 -0.04 -1.26 -4.14 135.00 128.07 2ple n PRO 42 Ca -0.19 0.01 -0.25 0.00 -0.04 0.00 0.00 63.50 63.02 2ple n PRO 42 Cb 0.58 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.18 1.11 0.00 3.54 6.94 -1.26 -5.07 115.26 119.34 2ple n ASN 43 Ca 0.17 -2.88 0.00 0.00 -0.02 0.00 0.00 54.58 51.85 2ple n ASN 43 Cb 0.19 -0.65 0.00 0.00 -2.36 0.00 0.00 39.78 36.96 2ple n ASN 43 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2ple n SER 44 N 1.34 0.00 -3.38 0.53 3.41 -1.26 -4.69 113.62 109.57 2ple n SER 44 Ca 0.24 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.64 2ple n SER 44 Cb 0.49 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.38 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 -0.70 -0.28 -3.65 7.33 4.01 -1.06 -3.26 117.16 119.55 2ple n TYR 45 Ca 0.00 -2.49 -0.12 0.00 -0.16 0.00 0.00 57.90 55.13 2ple n TYR 45 Cb 0.00 0.12 -0.07 0.00 -0.31 0.00 0.00 39.34 39.08 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 -3.13 -1.71 0.14 -0.72 0.00 -0.94 -1.98 121.76 113.42 2ple s ALA 46 Ca 0.27 2.04 -0.15 0.00 0.00 0.00 0.00 51.96 54.13 2ple s ALA 46 Cb 0.01 -1.19 -0.07 0.00 0.00 0.00 0.00 23.12 21.87 2ple s ALA 46 CO 0.19 -0.33 0.56 0.42 0.00 0.00 0.00 175.76 176.60 2ple s ILE 47 N 0.78 4.83 -0.25 0.00 1.01 -0.44 -0.83 121.20 126.29 2ple s ILE 47 Ca -0.03 0.90 -0.00 0.00 0.00 0.00 0.00 60.65 61.51 2ple s ILE 47 Cb -0.05 -3.76 0.07 0.00 0.01 0.00 0.00 42.46 38.74 2ple s ILE 47 CO -0.06 0.27 0.01 -0.94 0.00 0.00 0.00 174.94 174.23 2ple s SER 48 N -1.65 3.77 -0.03 3.58 1.04 -0.84 -1.82 113.70 117.74 2ple s SER 48 Ca 0.37 -1.30 0.01 0.00 0.48 0.00 0.00 55.95 55.51 2ple s SER 48 Cb -0.15 -1.01 0.02 0.00 0.10 0.00 0.00 66.02 64.97 2ple s SER 48 CO 0.19 -0.31 -0.03 0.72 0.98 0.00 0.00 173.24 174.80 2ple s PHE 49 N 1.51 0.53 0.45 5.02 -0.71 -1.03 -1.17 117.98 122.58 2ple s PHE 49 Ca 0.01 -0.10 0.05 0.00 -1.04 0.00 0.00 56.93 55.84 2ple s PHE 49 Cb -0.18 -0.51 0.01 0.00 -1.21 0.00 0.00 43.02 41.14 2ple s PHE 49 CO -0.11 -0.14 0.64 -0.98 -1.34 0.00 0.00 175.22 173.28 2ple s ARG 50 N 0.82 2.81 -0.45 1.99 3.03 -0.75 -2.05 118.95 124.35 2ple s ARG 50 Ca -0.10 -0.95 0.05 0.00 2.03 0.00 0.00 55.73 56.76 2ple s ARG 50 Cb -0.13 -2.65 0.19 0.00 -1.03 0.00 0.00 34.95 31.33 2ple s ARG 50 CO -0.01 -0.36 0.41 0.00 -1.13 0.00 0.00 175.30 174.21 2ple n ALA 51 N -2.01 2.88 -0.62 7.88 0.00 -0.93 -2.26 120.51 125.45 2ple n ALA 51 Ca 0.06 -3.39 0.00 0.00 0.00 0.00 0.00 53.44 50.11 2ple n ALA 51 Cb 0.59 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.24 2ple n ALA 51 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ple n GLU 52 N 2.37 0.00 -1.45 0.00 2.13 -1.11 -0.58 120.64 122.00 2ple n GLU 52 Ca 0.27 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.77 2ple n GLU 52 Cb 0.47 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.26 2ple n GLU 52 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ple n GLY 53 N 0.00 5.93 3.47 8.31 0.00 -1.26 -4.65 105.19 116.99 2ple n GLY 53 Ca 0.00 -2.34 -0.16 0.00 0.00 0.00 0.00 46.02 43.53 2ple n GLY 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ple s LYS 54 N -3.77 1.92 -0.21 1.61 2.47 0.26 -5.16 119.74 116.85 2ple s LYS 54 Ca 0.62 -1.81 -0.09 0.00 -1.56 0.00 0.00 55.97 53.13 2ple s LYS 54 Cb 0.49 0.43 0.08 0.00 -1.46 0.00 0.00 37.83 37.38 2ple s LYS 54 CO 0.00 -0.79 0.48 0.42 0.16 0.00 0.00 175.35 175.63 2ple s ILE 55 N -3.05 -0.43 -0.03 5.43 1.01 -1.26 -2.18 121.20 120.69 2ple s ILE 55 Ca 0.32 0.10 0.01 0.00 0.00 0.00 0.00 60.65 61.08 2ple s ILE 55 Cb -0.00 -0.74 0.02 0.00 0.01 0.00 0.00 42.46 41.75 2ple s ILE 55 CO 0.22 0.04 -0.02 -0.54 0.00 0.00 0.00 174.94 174.64 2ple s LYS 56 N 2.16 0.47 0.31 2.79 1.02 -0.87 -4.96 119.74 120.66 2ple s LYS 56 Ca -0.06 -0.02 0.08 0.00 0.02 0.00 0.00 55.97 55.99 2ple s LYS 56 Cb -0.10 -0.56 -0.06 0.00 -0.52 0.00 0.00 37.83 36.59 2ple s LYS 56 CO -0.14 -0.07 -0.07 -1.01 -0.92 0.00 0.00 175.35 173.13 2ple s HIS 57 N 0.77 2.16 0.14 3.18 3.76 -1.26 -2.45 115.29 121.58 2ple s HIS 57 Ca -0.09 -0.62 -0.05 0.00 -0.15 0.00 0.00 55.06 54.15 2ple s HIS 57 Cb -0.12 -1.25 -0.02 0.00 1.11 0.00 0.00 32.58 32.30 2ple s HIS 57 CO -0.01 0.40 0.17 0.00 -0.85 0.00 0.00 174.74 174.45 2ple s ARG 59 N -4.00 1.46 -0.09 0.00 3.00 -1.26 -1.32 118.95 116.74 2ple s ARG 59 Ca 0.20 -0.24 -0.11 0.00 -1.00 0.00 0.00 55.73 54.58 2ple s ARG 59 Cb 0.05 -1.57 -0.05 0.00 0.00 0.00 0.00 34.95 33.39 2ple s ARG 59 CO 0.00 -0.28 0.25 0.08 0.00 0.00 0.00 175.30 175.35 2ple s VAL 60 N 1.72 5.32 -0.15 7.11 1.01 -0.84 -4.97 120.40 129.61 2ple s VAL 60 Ca 0.05 0.46 0.01 0.00 0.00 0.00 0.00 61.98 62.50 2ple s VAL 60 Cb -0.13 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.74 2ple s VAL 60 CO -0.08 0.57 -0.17 0.00 0.00 0.00 0.00 175.10 175.42 2ple s GLN 61 N -0.82 2.55 0.16 2.72 -2.07 -0.91 -2.58 119.66 118.70 2ple s GLN 61 Ca 0.18 -0.67 0.02 0.00 -1.82 0.00 0.00 55.36 53.07 2ple s GLN 61 Cb -0.14 -2.22 0.02 0.00 -1.09 0.00 0.00 33.01 29.58 2ple s GLN 61 CO 0.07 -0.17 0.16 0.00 -1.32 0.00 0.00 175.29 174.03 2ple n GLN 62 N 4.53 1.11 -1.68 9.60 10.64 -1.26 -0.85 117.38 139.47 2ple n GLN 62 Ca -0.19 -0.94 0.00 0.00 -1.83 0.00 0.00 57.00 54.04 2ple n GLN 62 Cb 0.50 0.04 0.00 0.00 -0.86 0.00 0.00 30.24 29.92 2ple n GLN 62 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 2ple n GLU 63 N -1.06 0.85 -1.28 2.61 0.00 -1.03 -4.79 120.64 115.94 2ple n GLU 63 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 56.95 2ple n GLU 63 Cb 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.56 2ple n GLU 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ple n GLY 64 N 1.84 4.05 0.00 -1.84 0.00 -1.26 -4.28 105.19 103.70 2ple n GLY 64 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 2ple n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ple n GLN 65 N 1.05 0.00 0.00 1.61 10.64 -1.26 -5.14 117.38 124.28 2ple n GLN 65 Ca 0.43 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.60 2ple n GLN 65 Cb 0.61 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.99 2ple n GLN 65 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 2ple n THR 66 N 0.00 0.00 -3.66 -0.39 -1.04 -1.26 -4.96 114.28 102.97 2ple n THR 66 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 2ple n THR 66 Cb 0.00 -0.05 -0.06 0.00 -1.82 0.00 0.00 70.33 68.40 2ple n THR 66 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2ple s VAL 67 N 1.98 0.06 -0.30 12.58 0.11 0.37 -2.46 120.40 132.73 2ple s VAL 67 Ca 0.00 -0.45 0.01 0.00 -2.93 0.00 0.00 61.98 58.61 2ple s VAL 67 Cb 0.00 -0.96 0.09 0.00 -1.53 0.00 0.00 36.38 33.97 2ple s VAL 67 CO 0.00 -0.25 0.04 -0.04 -3.33 0.00 0.00 175.10 171.52 2ple s MET 68 N -2.55 1.24 0.03 1.54 -1.94 -0.03 -1.95 119.30 115.64 2ple s MET 68 Ca -0.05 -1.37 -0.18 0.00 -1.71 0.00 0.00 55.69 52.39 2ple s MET 68 Cb -0.01 -2.62 -0.21 0.00 2.01 0.00 0.00 34.83 34.01 2ple s MET 68 CO -0.03 -0.87 1.18 1.25 -0.01 0.00 0.00 175.02 176.54 2ple h LEU 69 N 7.87 0.63 0.00 -0.03 7.12 -1.70 -2.43 115.31 126.76 2ple h LEU 69 Ca -0.11 -0.70 0.00 0.00 0.13 0.00 0.00 57.88 57.20 2ple h LEU 69 Cb 1.03 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.97 2ple h LEU 69 CO 0.48 1.23 0.00 0.61 -0.13 0.00 0.00 178.44 180.63 2ple n GLY 70 N 0.89 -1.74 1.27 3.75 0.00 -1.26 -4.69 105.19 103.42 2ple n GLY 70 Ca -0.09 0.58 0.09 0.00 0.00 0.00 0.00 46.02 46.60 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 0.00 4.14 -3.76 1.61 5.15 -1.26 -4.92 115.26 116.22 2ple n ASN 71 Ca 0.00 -2.33 -0.13 0.00 -0.60 0.00 0.00 54.58 51.52 2ple n ASN 71 Cb 0.00 -0.49 -0.11 0.00 -0.53 0.00 0.00 39.78 38.65 2ple n ASN 71 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2ple s SER 72 N -1.06 -0.32 -0.26 1.20 0.15 -1.26 -5.13 113.70 107.01 2ple s SER 72 Ca 0.44 0.62 -0.13 0.00 0.70 0.00 0.00 55.95 57.58 2ple s SER 72 Cb 0.27 0.61 -0.04 0.00 -1.71 0.00 0.00 66.02 65.15 2ple s SER 72 CO 0.23 -0.11 0.29 -0.70 1.20 0.00 0.00 173.24 174.15 2ple s GLU 73 N 0.29 4.02 0.00 5.44 2.12 -1.26 -2.42 118.70 126.89 2ple s GLU 73 Ca -0.01 -0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.23 2ple s GLU 73 Cb -0.03 -3.63 0.00 0.00 0.26 0.00 0.00 34.13 30.73 2ple s GLU 73 CO -0.01 -0.18 0.00 1.19 -0.54 0.00 0.00 175.26 175.72 2ple n PHE 74 N 5.03 0.00 -2.28 5.30 3.72 -0.82 -4.95 117.46 123.45 2ple n PHE 74 Ca -0.11 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.26 2ple n PHE 74 Cb 0.51 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.05 2ple n PHE 74 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2ple n ASP 75 N -0.58 -0.54 -3.64 4.37 -0.08 -1.26 -0.48 116.55 114.34 2ple n ASP 75 Ca 0.00 -2.04 -0.06 0.00 -1.51 0.00 0.00 54.79 51.18 2ple n ASP 75 Cb 0.00 0.21 -0.07 0.00 2.34 0.00 0.00 41.12 43.60 2ple n ASP 75 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2ple s SER 76 N -1.41 -0.40 0.56 1.67 1.04 -1.26 -4.92 113.70 108.97 2ple s SER 76 Ca 0.10 0.72 0.34 0.00 0.48 0.00 0.00 55.95 57.59 2ple s SER 76 Cb 0.18 0.89 1.47 0.00 0.10 0.00 0.00 66.02 68.67 2ple s SER 76 CO -0.06 -0.12 2.03 0.25 0.98 0.00 0.00 173.24 176.32 2ple h LEU 77 N 4.73 0.00 0.03 2.42 6.46 -1.99 -1.39 115.31 125.57 2ple h LEU 77 Ca -0.28 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.34 2ple h LEU 77 Cb 1.18 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.10 2ple h LEU 77 CO 0.15 0.03 -0.76 0.58 -0.62 0.00 0.00 178.44 177.82 2ple h VAL 78 N 0.00 1.33 0.00 1.05 2.07 -1.96 -3.26 116.25 115.48 2ple h VAL 78 Ca -0.00 -2.32 -0.02 0.00 0.82 0.00 0.00 66.70 65.18 2ple h VAL 78 Cb 0.46 2.86 -0.00 0.00 -1.52 0.00 0.00 31.29 33.08 2ple h VAL 78 CO 0.00 0.54 -0.10 -0.78 0.02 0.00 0.00 177.57 177.25 2ple h ASP 79 N -0.82 0.00 0.33 0.57 3.58 -1.93 -0.91 116.42 117.24 2ple h ASP 79 Ca -0.19 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.17 2ple h ASP 79 Cb 1.30 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.34 2ple h ASP 79 CO -0.05 0.10 -0.39 0.25 -2.88 0.00 0.00 179.24 176.27 2ple h LEU 80 N 0.00 0.10 0.00 2.28 6.46 -1.34 -2.04 115.31 120.76 2ple h LEU 80 Ca -0.00 -0.04 -0.09 0.00 -0.12 0.00 0.00 57.88 57.63 2ple h LEU 80 Cb 0.36 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 2ple h LEU 80 CO 0.01 0.48 -0.87 0.40 -0.62 0.00 0.00 178.44 177.84 2ple h ILE 81 N 0.08 0.45 0.83 4.05 5.03 -1.26 -3.17 117.51 123.52 2ple h ILE 81 Ca 0.01 -1.75 -0.04 0.00 -0.12 0.00 0.00 64.86 62.96 2ple h ILE 81 Cb 0.73 2.04 0.01 0.00 -3.03 0.00 0.00 36.82 36.57 2ple h ILE 81 CO 0.05 0.26 -0.40 -1.28 -0.68 0.00 0.00 178.15 176.10 2ple h SER 82 N 0.00 -0.94 0.70 1.72 0.87 -0.51 -2.14 113.55 113.24 2ple h SER 82 Ca -0.06 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2ple h SER 82 Cb 1.33 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.54 2ple h SER 82 CO 0.04 -0.64 0.00 0.10 -0.53 0.00 0.00 176.83 175.80 2ple h TYR 83 N -1.18 0.00 -0.20 2.24 -0.00 -1.65 -2.42 116.97 113.76 2ple h TYR 83 Ca -0.11 0.00 -0.13 0.00 -0.00 0.00 0.00 58.73 58.48 2ple h TYR 83 Cb 0.86 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.58 2ple h TYR 83 CO -0.01 0.00 -0.43 -0.92 -0.00 0.00 0.00 178.16 176.80 2ple h TYR 84 N 0.00 0.58 0.00 0.10 3.20 -1.38 -1.44 116.97 118.04 2ple h TYR 84 Ca 0.00 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.70 2ple h TYR 84 Cb 0.35 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.50 2ple h TYR 84 CO 0.00 0.84 0.00 -0.85 -1.64 0.00 0.00 178.16 176.51 2ple n GLU 85 N -4.01 0.34 -0.00 1.82 0.28 -0.89 -2.45 120.64 115.72 2ple n GLU 85 Ca -0.02 0.09 0.03 0.00 -0.16 0.00 0.00 57.16 57.10 2ple n GLU 85 Cb 0.52 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.84 2ple n GLU 85 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2ple n LYS 86 N -1.20 0.91 -4.28 3.44 3.00 -0.76 -5.04 118.16 114.24 2ple n LYS 86 Ca 0.10 -0.05 -0.15 0.00 -0.00 0.00 0.00 58.31 58.20 2ple n LYS 86 Cb 0.11 -1.11 -0.10 0.00 0.00 0.00 0.00 35.03 33.93 2ple n LYS 86 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2ple s HIS 87 N -2.36 1.37 0.76 5.64 3.76 -0.62 -5.13 115.29 118.72 2ple s HIS 87 Ca -0.02 -1.10 -0.12 0.00 -0.15 0.00 0.00 55.06 53.68 2ple s HIS 87 Cb 0.05 -0.79 0.05 0.00 1.11 0.00 0.00 32.58 32.99 2ple s HIS 87 CO 0.29 -0.27 1.13 -1.25 -0.85 0.00 0.00 174.74 173.79 2ple s PRO 88 N -3.97 2.40 -0.01 8.40 0.04 -1.26 -4.65 135.00 135.94 2ple s PRO 88 Ca 0.31 0.32 -0.07 0.00 0.04 0.00 0.00 61.00 61.60 2ple s PRO 88 Cb 0.07 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 2ple s PRO 88 CO 0.09 -1.33 -0.13 -0.11 0.04 0.00 0.00 177.00 175.55 2ple n LEU 89 N -3.18 1.36 -5.01 -3.56 7.94 -0.87 -4.96 117.00 108.72 2ple n LEU 89 Ca 0.07 0.20 -0.19 0.00 -1.11 0.00 0.00 56.01 54.99 2ple n LEU 89 Cb 0.59 -0.48 0.04 0.00 0.53 0.00 0.00 43.42 44.09 2ple n LEU 89 CO 0.57 -0.56 0.28 -0.47 -1.11 0.00 0.00 177.39 176.10 2ple s TYR 90 N -2.28 2.24 -1.22 1.96 5.04 -1.02 -4.96 117.35 117.10 2ple s TYR 90 Ca -0.11 -0.44 0.11 0.00 -2.44 0.00 0.00 57.07 54.19 2ple s TYR 90 Cb 0.02 -2.43 0.52 0.00 0.35 0.00 0.00 41.96 40.42 2ple s TYR 90 CO 0.16 -0.84 1.30 -2.13 -1.34 0.00 0.00 175.55 172.71 2ple n ARG 91 N -2.13 0.08 -1.03 4.97 3.00 -1.26 -3.03 116.66 117.26 2ple n ARG 91 Ca 0.11 0.24 -0.01 0.00 -0.00 0.00 0.00 57.85 58.20 2ple n ARG 91 Cb 0.60 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.55 2ple n ARG 91 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2ple n LYS 92 N -1.39 0.00 -3.86 -0.14 2.85 -1.26 -5.11 118.16 109.25 2ple n LYS 92 Ca 0.04 -1.24 -0.10 0.00 -1.05 0.00 0.00 58.31 55.96 2ple n LYS 92 Cb 0.11 0.06 -0.06 0.00 -0.65 0.00 0.00 35.03 34.49 2ple n LYS 92 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2ple s MET 93 N 0.00 1.17 0.00 -1.58 -1.94 -1.17 -5.05 119.30 110.73 2ple s MET 93 Ca 0.13 -1.02 0.00 0.00 -1.71 0.00 0.00 55.69 53.09 2ple s MET 93 Cb 0.15 0.42 0.00 0.00 2.01 0.00 0.00 34.83 37.41 2ple s MET 93 CO -0.06 -0.45 0.42 1.63 -0.01 0.00 0.00 175.02 176.54 2ple n LYS 94 N -0.23 0.00 -3.19 2.03 5.02 -1.26 -2.04 118.16 118.48 2ple n LYS 94 Ca -0.10 -0.42 -0.21 0.00 -2.02 0.00 0.00 58.31 55.57 2ple n LYS 94 Cb 0.63 -0.47 -0.01 0.00 -0.02 0.00 0.00 35.03 35.16 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 0.00 -1.40 -0.47 -0.35 4.32 -1.26 -4.57 117.00 113.26 2ple n LEU 95 Ca 0.00 -0.26 0.05 0.00 -0.02 0.00 0.00 56.01 55.78 2ple n LEU 95 Cb 0.47 -2.07 0.07 0.00 -1.62 0.00 0.00 43.42 40.27 2ple n LEU 95 CO 0.00 0.10 0.47 -1.14 -1.22 0.00 0.00 177.39 175.61 2ple n ARG 96 N -3.52 1.13 -1.64 3.23 3.00 -1.26 -4.60 116.66 113.00 2ple n ARG 96 Ca -0.03 -1.38 -0.46 0.00 -0.00 0.00 0.00 57.85 55.98 2ple n ARG 96 Cb 0.55 -1.22 -0.04 0.00 0.00 0.00 0.00 32.46 31.75 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 0.56 2.27 -0.25 -0.14 4.01 -1.26 -4.87 117.16 117.48 2ple n TYR 97 Ca 0.08 -0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 2ple n TYR 97 Cb 0.31 -2.71 0.00 0.00 -0.31 0.00 0.00 39.34 36.63 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 7.40 0.74 -3.35 -0.72 -0.04 -1.26 -1.96 135.00 135.80 2ple n PRO 98 Ca 0.25 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.45 2ple n PRO 98 Cb 0.35 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.73 2ple n PRO 98 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2ple n ILE 99 N -0.53 1.36 -3.78 0.52 -0.00 -1.26 -4.32 119.36 111.36 2ple n ILE 99 Ca 0.00 -4.82 -0.35 0.00 -0.00 0.00 0.00 62.75 57.57 2ple n ILE 99 Cb 0.00 -2.05 -0.09 0.00 -0.00 0.00 0.00 39.64 37.50 2ple n ILE 99 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 2ple s ASN 100 N -2.04 6.01 0.00 4.38 2.47 -1.26 -5.04 114.94 119.46 2ple s ASN 100 Ca 0.38 0.15 0.00 0.00 0.42 0.00 0.00 52.86 53.81 2ple s ASN 100 Cb 0.15 -2.06 0.00 0.00 -1.45 0.00 0.00 41.25 37.89 2ple s ASN 100 CO -0.05 0.14 0.00 1.21 -3.72 0.00 0.00 177.10 174.69 2ple n GLU 101 N 3.77 0.00 0.27 0.43 2.13 -1.26 -4.88 120.64 121.10 2ple n GLU 101 Ca -0.16 0.00 0.16 0.00 0.66 0.00 0.00 57.16 57.82 2ple n GLU 101 Cb 0.52 0.00 0.65 0.00 0.27 0.00 0.00 31.44 32.88 2ple n GLU 101 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2ple h GLU 102 N 0.00 0.00 -3.37 5.31 4.57 -1.99 -3.31 114.58 115.79 2ple h GLU 102 Ca 0.00 0.00 -0.76 0.00 -1.18 0.00 0.00 59.36 57.42 2ple h GLU 102 Cb 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 28.75 28.42 2ple h GLU 102 CO 0.00 0.04 1.86 0.09 -1.18 0.00 0.00 179.01 179.82 2ple n ASN 103 N -3.15 5.39 -4.23 1.04 3.02 -1.26 -4.93 115.26 111.15 2ple n ASN 103 Ca 0.00 -3.16 -0.35 0.00 -0.03 0.00 0.00 54.58 51.04 2ple n ASN 103 Cb 0.32 -1.44 -0.14 0.00 -0.61 0.00 0.00 39.78 37.91 2ple n ASN 103 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2ple s SER 104 N 0.42 4.50 0.00 6.41 1.04 -1.25 -4.92 113.70 119.91 2ple s SER 104 Ca 0.39 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.95 2ple s SER 104 Cb 0.09 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 64.51 2ple s SER 104 CO 0.02 -0.15 0.11 -0.24 0.98 0.00 0.00 173.24 173.96