#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ple n SER 2 N 0.00 0.00 -4.71 1.61 3.41 -1.26 -5.14 113.62 107.52 2ple n SER 2 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 2ple n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2ple n SER 2 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2ple s PRO 3 N 0.00 4.57 -0.19 4.33 0.04 -1.26 -5.05 135.00 137.44 2ple s PRO 3 Ca 0.00 1.48 0.01 0.00 0.04 0.00 0.00 61.00 62.53 2ple s PRO 3 Cb 0.00 -3.43 0.03 0.00 0.04 0.00 0.00 34.50 31.14 2ple s PRO 3 CO 0.00 -0.03 -0.16 0.20 0.04 0.00 0.00 177.00 177.05 2ple s GLY 4 N 0.83 1.35 0.38 0.56 0.00 -1.26 -4.98 107.32 104.20 2ple s GLY 4 Ca 0.52 -1.22 0.16 0.00 0.00 0.00 0.00 44.72 44.18 2ple s GLY 4 CO 0.29 0.45 1.82 -2.22 0.00 0.00 0.00 173.10 173.43 2ple h ILE 5 N 6.15 1.09 -3.07 0.90 5.03 -2.04 -3.44 117.51 122.12 2ple h ILE 5 Ca -0.38 -1.32 -0.15 0.00 -0.12 0.00 0.00 64.86 62.89 2ple h ILE 5 Cb 1.12 1.75 -0.04 0.00 -3.03 0.00 0.00 36.82 36.62 2ple h ILE 5 CO 0.56 0.35 -0.09 0.00 -0.68 0.00 0.00 178.15 178.30 2ple n HIS 6 N -3.86 -0.91 -2.21 1.37 1.44 -1.26 -4.88 115.22 104.91 2ple n HIS 6 Ca -0.01 -1.23 -0.14 0.00 -2.01 0.00 0.00 57.72 54.33 2ple n HIS 6 Cb 0.43 0.27 -0.02 0.00 0.12 0.00 0.00 29.99 30.79 2ple n HIS 6 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2ple n GLU 7 N -0.30 -1.96 0.00 -1.40 -0.58 -1.26 -4.78 120.64 110.36 2ple n GLU 7 Ca 0.01 0.69 0.00 0.00 -0.42 0.00 0.00 57.16 57.44 2ple n GLU 7 Cb 0.30 -5.22 0.00 0.00 -0.57 0.00 0.00 31.44 25.95 2ple n GLU 7 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2ple n SER 8 N -1.56 0.00 -2.10 1.62 7.64 -1.26 -5.09 113.62 112.87 2ple n SER 8 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 2ple n SER 8 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 2ple n SER 8 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2ple n LYS 9 N -1.68 0.41 0.01 1.43 5.02 -1.26 -5.02 118.16 117.06 2ple n LYS 9 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2ple n LYS 9 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2ple n LYS 9 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2ple n GLU 10 N -0.80 0.00 -1.76 1.97 0.28 -1.26 -4.99 120.64 114.08 2ple n GLU 10 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.95 2ple n GLU 10 Cb 0.00 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 32.86 2ple n GLU 10 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 177.13 174.30 2ple n TRP 11 N -2.27 -1.21 -4.24 -1.84 4.27 -1.26 -4.87 117.44 106.02 2ple n TRP 11 Ca 0.00 0.00 -0.18 0.00 -3.89 0.00 0.00 57.50 53.43 2ple n TRP 11 Cb 0.00 -1.68 -0.13 0.00 -1.36 0.00 0.00 31.31 28.14 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 -1.82 0.97 0.07 -2.67 -0.85 -1.26 -2.66 117.35 109.13 2ple s TYR 12 Ca 0.00 -0.35 0.01 0.00 -0.52 0.00 0.00 57.07 56.20 2ple s TYR 12 Cb 0.00 -0.58 0.01 0.00 0.38 0.00 0.00 41.96 41.77 2ple s TYR 12 CO 0.00 -0.00 0.05 0.72 -1.52 0.00 0.00 175.55 174.80 2ple n HIS 13 N 1.93 -1.50 0.00 -3.49 8.25 -0.76 -4.85 115.22 114.80 2ple n HIS 13 Ca -0.19 -0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.00 2ple n HIS 13 Cb 0.55 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.61 2ple n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ple n ALA 14 N -2.87 0.00 -2.58 -1.41 0.00 -1.26 -0.90 120.51 111.49 2ple n ALA 14 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 2ple n ALA 14 Cb 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.52 2ple n ALA 14 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2ple s SER 15 N -0.09 6.83 -0.02 0.00 1.04 -1.26 -4.83 113.70 115.37 2ple s SER 15 Ca 0.00 -2.42 -0.09 0.00 0.48 0.00 0.00 55.95 53.92 2ple s SER 15 Cb 0.00 -2.58 0.03 0.00 0.10 0.00 0.00 66.02 63.57 2ple s SER 15 CO 0.00 -1.18 0.41 0.00 0.98 0.00 0.00 173.24 173.45 2ple n LEU 16 N 8.40 0.00 -4.89 2.42 -0.00 -1.26 -5.16 117.00 116.51 2ple n LEU 16 Ca 0.48 -0.07 -0.27 0.00 -0.00 0.00 0.00 56.01 56.15 2ple n LEU 16 Cb 0.46 0.53 -0.04 0.00 -0.00 0.00 0.00 43.42 44.37 2ple n LEU 16 CO 0.76 -0.02 -0.14 0.42 -0.00 0.00 0.00 177.39 178.41 2ple s THR 17 N -2.07 5.04 -0.03 1.47 -4.23 -1.26 -4.99 115.64 109.56 2ple s THR 17 Ca 0.10 -0.80 0.31 0.00 -1.18 0.00 0.00 61.69 60.12 2ple s THR 17 Cb -0.00 -3.57 0.37 0.00 1.34 0.00 0.00 72.50 70.64 2ple s THR 17 CO -0.00 -0.08 1.88 0.08 -0.54 0.00 0.00 174.62 175.96 2ple h ARG 18 N 2.32 0.00 0.09 3.99 0.11 -1.99 -2.87 114.38 116.03 2ple h ARG 18 Ca -0.48 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.24 2ple h ARG 18 Cb 1.19 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.24 2ple h ARG 18 CO 0.67 0.01 -2.04 0.00 0.10 0.00 0.00 179.97 178.71 2ple n ALA 19 N -2.10 1.05 0.30 0.08 0.00 -1.26 -3.97 120.51 114.61 2ple n ALA 19 Ca 0.01 -0.70 0.19 0.00 0.00 0.00 0.00 53.44 52.94 2ple n ALA 19 Cb 0.37 -0.61 0.86 0.00 0.00 0.00 0.00 19.45 20.07 2ple n ALA 19 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2ple h GLN 20 N 0.05 0.00 -0.36 0.00 4.15 -1.96 -2.91 115.11 114.09 2ple h GLN 20 Ca -0.43 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.00 2ple h GLN 20 Cb 2.02 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.69 2ple h GLN 20 CO 0.06 0.00 0.21 0.00 -1.93 0.00 0.00 178.83 177.17 2ple h ALA 21 N 2.01 0.45 -1.00 3.38 0.00 -1.63 -1.77 119.26 120.70 2ple h ALA 21 Ca 0.00 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.11 2ple h ALA 21 Cb 0.32 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 17.89 2ple h ALA 21 CO 0.00 -0.13 0.61 0.93 0.00 0.00 0.00 179.25 180.65 2ple h GLU 22 N 0.43 0.68 -0.08 0.00 3.07 -1.72 0.19 114.58 117.15 2ple h GLU 22 Ca 0.14 -0.04 -0.17 0.00 -0.50 0.00 0.00 59.36 58.79 2ple h GLU 22 Cb -0.00 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.75 2ple h GLU 22 CO -0.06 0.45 -0.68 1.25 -1.40 0.00 0.00 179.01 178.56 2ple h HIS 23 N 0.70 0.47 -0.64 4.33 2.76 -1.52 -1.98 115.15 119.27 2ple h HIS 23 Ca 0.61 -0.20 0.00 0.00 -2.20 0.00 0.00 60.37 58.58 2ple h HIS 23 Cb 1.02 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.87 2ple h HIS 23 CO -0.01 0.93 0.41 0.52 -1.30 0.00 0.00 177.93 178.48 2ple h MET 24 N 0.25 0.85 0.00 5.26 2.86 0.17 -1.49 114.93 122.82 2ple h MET 24 Ca -0.02 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.48 2ple h MET 24 Cb 1.24 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 2ple h MET 24 CO 0.11 0.57 -0.69 -0.07 1.06 0.00 0.00 176.91 177.89 2ple h LEU 25 N 0.87 0.00 -1.84 1.22 3.38 -1.29 -3.23 115.31 114.42 2ple h LEU 25 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2ple h LEU 25 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2ple h LEU 25 CO -0.05 0.36 0.00 -0.03 0.09 0.00 0.00 178.44 178.82 2ple h MET 26 N 0.00 0.00 0.00 1.13 4.05 -0.48 -2.37 114.93 117.26 2ple h MET 26 Ca -0.04 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 2ple h MET 26 Cb 1.31 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.11 2ple h MET 26 CO 0.04 0.00 -0.05 0.00 0.23 0.00 0.00 176.91 177.13 2ple h ARG 27 N 0.00 0.00 -6.06 0.39 3.08 -1.54 -3.41 114.38 106.84 2ple h ARG 27 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 2ple h ARG 27 Cb 0.21 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 2ple h ARG 27 CO 0.00 0.05 0.22 0.54 -1.07 0.00 0.00 179.97 179.71 2ple s VAL 28 N -4.21 4.97 -1.05 2.04 0.11 -0.89 -4.98 120.40 116.39 2ple s VAL 28 Ca -0.03 1.60 -0.22 0.00 -2.93 0.00 0.00 61.98 60.39 2ple s VAL 28 Cb 0.13 -4.11 0.05 0.00 -1.53 0.00 0.00 36.38 30.91 2ple s VAL 28 CO 0.52 0.17 1.51 -2.16 -3.33 0.00 0.00 175.10 171.81 2ple s PRO 29 N 1.25 3.59 -0.10 1.54 0.04 -1.26 -4.61 135.00 135.44 2ple s PRO 29 Ca 0.40 -1.19 -0.07 0.00 0.04 0.00 0.00 61.00 60.18 2ple s PRO 29 Cb -0.18 -5.37 0.03 0.00 0.04 0.00 0.00 34.50 29.02 2ple s PRO 29 CO 0.18 -2.27 0.14 -2.13 0.04 0.00 0.00 177.00 172.96 2ple n ARG 30 N 8.83 -4.35 -3.59 4.56 0.63 -1.26 -5.08 116.66 116.40 2ple n ARG 30 Ca 0.35 3.28 -0.08 0.00 -0.92 0.00 0.00 57.85 60.47 2ple n ARG 30 Cb 0.50 -4.52 -0.05 0.00 0.45 0.00 0.00 32.46 28.84 2ple n ARG 30 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2ple s ASP 31 N -0.57 -0.29 -0.75 6.15 2.15 -1.26 -5.04 116.67 117.05 2ple s ASP 31 Ca -0.17 0.30 0.03 0.00 0.43 0.00 0.00 52.55 53.14 2ple s ASP 31 Cb 0.01 0.24 0.32 0.00 -0.30 0.00 0.00 42.92 43.19 2ple s ASP 31 CO 0.45 -0.29 1.19 0.61 -0.17 0.00 0.00 175.17 176.96 2ple n GLY 32 N 0.61 5.60 3.91 2.66 0.00 -1.22 -3.08 105.19 113.67 2ple n GLY 32 Ca -0.08 -2.72 -0.28 0.00 0.00 0.00 0.00 46.02 42.94 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 -3.50 3.56 -0.02 4.61 0.00 -0.43 -4.50 121.76 121.49 2ple s ALA 33 Ca 0.43 -0.55 0.08 0.00 0.00 0.00 0.00 51.96 51.92 2ple s ALA 33 Cb 0.22 -2.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.94 2ple s ALA 33 CO -0.10 0.07 -0.26 -0.59 0.00 0.00 0.00 175.76 174.89 2ple s PHE 34 N -2.26 2.30 -0.02 0.00 -0.71 -0.85 -2.40 117.98 114.04 2ple s PHE 34 Ca 0.45 -0.44 -0.10 0.00 -1.04 0.00 0.00 56.93 55.79 2ple s PHE 34 Cb -0.10 -1.48 0.01 0.00 -1.21 0.00 0.00 43.02 40.24 2ple s PHE 34 CO 0.33 -0.05 0.22 -0.51 -1.34 0.00 0.00 175.22 173.88 2ple s LEU 35 N -0.59 1.21 0.50 -1.99 1.43 0.04 -4.91 118.68 114.37 2ple s LEU 35 Ca 0.09 0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.27 2ple s LEU 35 Cb -0.10 0.93 0.01 0.00 0.03 0.00 0.00 46.19 47.06 2ple s LEU 35 CO -0.01 -0.36 0.36 0.68 0.23 0.00 0.00 176.35 177.25 2ple s VAL 36 N -1.14 1.94 0.03 -1.59 -7.23 -1.09 0.94 120.40 112.26 2ple s VAL 36 Ca -0.12 -1.50 -0.02 0.00 -1.81 0.00 0.00 61.98 58.53 2ple s VAL 36 Cb -0.06 -2.44 0.01 0.00 0.56 0.00 0.00 36.38 34.46 2ple s VAL 36 CO 0.02 0.00 0.12 -2.11 -0.31 0.00 0.00 175.10 172.82 2ple n ARG 37 N -1.64 0.10 -3.74 4.82 1.85 -0.99 -1.83 116.66 115.23 2ple n ARG 37 Ca -0.01 -0.22 -0.14 0.00 -1.00 0.00 0.00 57.85 56.48 2ple n ARG 37 Cb 0.64 0.28 -0.15 0.00 -1.05 0.00 0.00 32.46 32.18 2ple n ARG 37 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2ple s LYS 38 N -2.01 0.05 0.00 2.89 2.47 -0.08 -1.67 119.74 121.39 2ple s LYS 38 Ca 0.03 0.35 0.00 0.00 -1.56 0.00 0.00 55.97 54.78 2ple s LYS 38 Cb -0.00 -0.21 0.00 0.00 -1.46 0.00 0.00 37.83 36.15 2ple s LYS 38 CO 0.01 -0.18 0.00 0.54 0.16 0.00 0.00 175.35 175.88 2ple n ARG 39 N 4.33 1.11 -0.65 4.03 1.74 -1.26 -4.52 116.66 121.43 2ple n ARG 39 Ca -0.24 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.71 2ple n ARG 39 Cb 0.51 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 32.04 2ple n ARG 39 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2ple n ASN 40 N 0.00 3.61 -3.75 0.55 4.13 -1.26 -4.80 115.26 113.73 2ple n ASN 40 Ca 0.00 -2.84 -0.13 0.00 1.68 0.00 0.00 54.58 53.29 2ple n ASN 40 Cb 0.00 -0.70 -0.14 0.00 -1.54 0.00 0.00 39.78 37.40 2ple n ASN 40 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2ple s GLU 41 N -1.70 0.14 0.00 3.52 8.01 -1.26 -5.01 118.70 122.40 2ple s GLU 41 Ca 0.29 0.39 0.31 0.00 0.01 0.00 0.00 54.97 55.98 2ple s GLU 41 Cb 0.25 -0.12 1.83 0.00 -4.31 0.00 0.00 34.13 31.79 2ple s GLU 41 CO 0.05 -0.14 2.17 -0.35 0.01 0.00 0.00 175.26 177.01 2ple n PRO 42 N 4.00 0.94 -1.23 0.39 -0.04 -1.26 -3.77 135.00 134.03 2ple n PRO 42 Ca -0.24 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.93 2ple n PRO 42 Cb 0.53 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.02 6.40 0.00 3.54 2.04 -1.26 -4.94 115.26 120.02 2ple n ASN 43 Ca 0.23 -3.63 0.00 0.00 -0.44 0.00 0.00 54.58 50.74 2ple n ASN 43 Cb 0.12 -0.94 0.00 0.00 -2.53 0.00 0.00 39.78 36.43 2ple n ASN 43 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 2ple n SER 44 N -0.83 0.00 -1.07 0.53 3.41 -1.25 -3.78 113.62 110.63 2ple n SER 44 Ca 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 2ple n SER 44 Cb 0.93 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.88 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 0.00 -4.08 7.33 4.02 -0.92 -4.60 117.16 118.22 2ple n TYR 45 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 2ple n TYR 45 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.27 2ple n TYR 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ple s ALA 46 N -2.00 0.58 -0.36 -0.72 0.00 -0.67 -2.32 121.76 116.26 2ple s ALA 46 Ca 0.00 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.58 2ple s ALA 46 Cb 0.00 1.16 0.15 0.00 0.00 0.00 0.00 23.12 24.43 2ple s ALA 46 CO 0.00 -0.78 0.28 0.42 0.00 0.00 0.00 175.76 175.68 2ple s ILE 47 N -3.40 -0.05 -0.29 0.00 1.01 0.15 -2.35 121.20 116.28 2ple s ILE 47 Ca 0.30 -1.45 -0.26 0.00 0.00 0.00 0.00 60.65 59.24 2ple s ILE 47 Cb 0.00 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.55 2ple s ILE 47 CO 0.17 -0.84 0.90 -0.94 0.00 0.00 0.00 174.94 174.23 2ple s SER 48 N 1.18 6.81 -0.03 3.58 1.04 0.27 -1.62 113.70 124.91 2ple s SER 48 Ca 0.18 0.89 -0.18 0.00 0.48 0.00 0.00 55.95 57.33 2ple s SER 48 Cb -0.19 -2.46 0.03 0.00 0.10 0.00 0.00 66.02 63.50 2ple s SER 48 CO -0.01 -0.68 0.38 0.72 0.98 0.00 0.00 173.24 174.63 2ple s PHE 49 N 3.16 -0.28 -0.10 5.02 -0.12 -1.03 -0.78 117.98 123.85 2ple s PHE 49 Ca 0.38 0.47 0.04 0.00 -0.05 0.00 0.00 56.93 57.76 2ple s PHE 49 Cb -0.14 0.15 0.00 0.00 -0.63 0.00 0.00 43.02 42.41 2ple s PHE 49 CO 0.12 -0.42 -0.22 0.50 -0.05 0.00 0.00 175.22 175.15 2ple s ARG 50 N -1.19 2.89 0.15 1.99 3.52 -1.01 -2.58 118.95 122.71 2ple s ARG 50 Ca -0.12 -0.82 -0.23 0.00 -0.13 0.00 0.00 55.73 54.42 2ple s ARG 50 Cb -0.04 -2.20 0.07 0.00 -1.56 0.00 0.00 34.95 31.22 2ple s ARG 50 CO 0.05 0.15 0.61 0.00 -0.81 0.00 0.00 175.30 175.30 2ple s ALA 51 N 0.40 -1.61 0.00 6.12 0.00 -0.82 -1.31 121.76 124.54 2ple s ALA 51 Ca -0.18 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.31 2ple s ALA 51 Cb -0.18 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.79 2ple s ALA 51 CO 0.08 -0.75 0.00 -1.91 0.00 0.00 0.00 175.76 173.18 2ple n GLU 52 N -0.33 -0.70 0.00 0.00 0.00 -1.26 -2.00 120.64 116.35 2ple n GLU 52 Ca -0.17 0.17 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2ple n GLU 52 Cb 0.65 -3.84 0.00 0.00 0.00 0.00 0.00 31.44 28.25 2ple n GLU 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ple n GLY 53 N -1.32 1.67 3.73 8.31 0.00 -1.26 -5.03 105.19 111.31 2ple n GLY 53 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2ple n GLY 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ple s LYS 54 N -0.50 2.66 -0.09 1.61 -2.85 -0.85 -4.98 119.74 114.73 2ple s LYS 54 Ca 0.00 -1.01 -0.00 0.00 -1.00 0.00 0.00 55.97 53.95 2ple s LYS 54 Cb 0.00 -2.49 -0.03 0.00 -2.06 0.00 0.00 37.83 33.25 2ple s LYS 54 CO 0.00 0.46 -0.06 0.96 0.10 0.00 0.00 175.35 176.81 2ple s ILE 55 N -1.80 3.77 0.06 3.79 -4.36 -1.26 -1.95 121.20 119.45 2ple s ILE 55 Ca 0.30 -0.44 -0.27 0.00 -0.26 0.00 0.00 60.65 59.98 2ple s ILE 55 Cb -0.09 -2.57 0.09 0.00 1.25 0.00 0.00 42.46 41.14 2ple s ILE 55 CO 0.21 0.58 0.83 -1.59 0.24 0.00 0.00 174.94 175.20 2ple s LYS 56 N -0.54 1.00 0.19 0.37 -2.85 -1.07 -5.03 119.74 111.82 2ple s LYS 56 Ca 0.08 -0.41 0.02 0.00 -1.00 0.00 0.00 55.97 54.67 2ple s LYS 56 Cb -0.12 0.44 -0.05 0.00 -2.06 0.00 0.00 37.83 36.04 2ple s LYS 56 CO 0.02 -0.44 0.00 -1.01 0.10 0.00 0.00 175.35 174.02 2ple s HIS 57 N -3.31 1.30 -0.02 1.78 3.76 -1.26 -2.45 115.29 115.09 2ple s HIS 57 Ca 0.05 -1.00 0.05 0.00 -0.15 0.00 0.00 55.06 54.01 2ple s HIS 57 Cb -0.01 -0.74 -0.01 0.00 1.11 0.00 0.00 32.58 32.93 2ple s HIS 57 CO -0.08 -0.18 -0.17 0.00 -0.85 0.00 0.00 174.74 173.46 2ple s ARG 59 N -0.36 3.10 0.06 0.00 1.04 -1.26 0.35 118.95 121.88 2ple s ARG 59 Ca 0.06 -0.84 0.02 0.00 -1.04 0.00 0.00 55.73 53.93 2ple s ARG 59 Cb -0.07 -2.73 -0.03 0.00 -2.04 0.00 0.00 34.95 30.08 2ple s ARG 59 CO -0.00 0.46 -0.08 0.54 -0.04 0.00 0.00 175.30 176.18 2ple s VAL 60 N -1.87 0.62 -0.12 4.99 0.11 -0.98 -4.87 120.40 118.27 2ple s VAL 60 Ca 0.33 -1.26 -0.00 0.00 -2.93 0.00 0.00 61.98 58.11 2ple s VAL 60 Cb -0.10 -0.85 0.03 0.00 -1.53 0.00 0.00 36.38 33.93 2ple s VAL 60 CO 0.26 -0.46 -0.08 0.00 -3.33 0.00 0.00 175.10 171.49 2ple s GLN 61 N -2.03 1.54 0.17 1.54 1.03 -1.06 -2.17 119.66 118.68 2ple s GLN 61 Ca -0.05 -0.30 -0.22 0.00 0.04 0.00 0.00 55.36 54.83 2ple s GLN 61 Cb -0.07 -1.66 -0.08 0.00 0.03 0.00 0.00 33.01 31.23 2ple s GLN 61 CO -0.00 -0.29 0.72 1.14 -2.54 0.00 0.00 175.29 174.32 2ple s GLN 62 N 1.69 4.37 -0.21 9.60 -2.07 -1.25 -0.97 119.66 130.83 2ple s GLN 62 Ca 0.04 0.97 -0.18 0.00 -1.82 0.00 0.00 55.36 54.37 2ple s GLN 62 Cb -0.13 -3.11 0.06 0.00 -1.09 0.00 0.00 33.01 28.74 2ple s GLN 62 CO -0.08 0.51 0.55 -1.83 -1.32 0.00 0.00 175.29 173.12 2ple s GLU 63 N -1.47 0.62 -0.35 9.60 4.04 -0.21 -4.86 118.70 126.07 2ple s GLU 63 Ca 0.37 0.81 -0.01 0.00 0.04 0.00 0.00 54.97 56.18 2ple s GLU 63 Cb -0.20 0.26 0.00 0.00 0.02 0.00 0.00 34.13 34.21 2ple s GLU 63 CO 0.23 -0.09 0.18 0.41 -1.84 0.00 0.00 175.26 174.14 2ple n GLY 64 N 3.08 0.45 2.75 -3.83 0.00 -1.26 -2.73 105.19 103.65 2ple n GLY 64 Ca -0.15 -0.54 -0.01 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.52 -1.52 -4.45 1.61 -0.06 -1.26 -4.94 117.38 105.25 2ple n GLN 65 Ca -0.02 0.44 -0.28 0.00 -2.00 0.00 0.00 57.00 55.14 2ple n GLN 65 Cb 0.52 -4.61 -0.07 0.00 -4.06 0.00 0.00 30.24 22.03 2ple n GLN 65 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 2ple n THR 66 N -2.25 0.00 -4.85 1.69 -1.04 -1.11 -4.97 114.28 101.76 2ple n THR 66 Ca -0.01 -2.29 -0.32 0.00 -2.04 0.00 0.00 64.05 59.39 2ple n THR 66 Cb 0.40 0.62 -0.13 0.00 -1.82 0.00 0.00 70.33 69.40 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 -2.87 2.94 -0.46 12.58 0.11 -1.03 -1.05 120.40 130.62 2ple s VAL 67 Ca 0.09 -0.88 -0.08 0.00 -2.93 0.00 0.00 61.98 58.18 2ple s VAL 67 Cb 0.00 -2.17 0.11 0.00 -1.53 0.00 0.00 36.38 32.80 2ple s VAL 67 CO 0.06 0.52 0.32 -0.32 -3.33 0.00 0.00 175.10 172.35 2ple s MET 68 N -0.94 2.43 -0.76 1.54 1.75 -0.14 -1.96 119.30 121.22 2ple s MET 68 Ca 0.12 -1.74 -0.01 0.00 -1.25 0.00 0.00 55.69 52.82 2ple s MET 68 Cb -0.11 -3.87 0.19 0.00 2.84 0.00 0.00 34.83 33.89 2ple s MET 68 CO 0.02 -1.15 0.60 -1.17 -0.65 0.00 0.00 175.02 172.67 2ple s LEU 69 N 1.34 5.26 0.00 4.11 1.98 -0.99 -2.58 118.68 127.81 2ple s LEU 69 Ca 0.06 -3.45 0.00 0.00 -2.89 0.00 0.00 54.13 47.85 2ple s LEU 69 Cb -0.25 -1.83 0.00 0.00 0.66 0.00 0.00 46.19 44.77 2ple s LEU 69 CO -0.01 -0.22 0.00 0.61 -1.89 0.00 0.00 176.35 174.84 2ple n GLY 70 N 2.66 1.12 1.60 7.98 0.00 -1.26 -3.95 105.19 113.34 2ple n GLY 70 Ca 0.16 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 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 3.15 3.84 -3.79 1.61 5.15 -1.26 -4.97 115.26 118.98 2ple n ASN 71 Ca 0.00 -3.78 -0.13 0.00 -0.60 0.00 0.00 54.58 50.08 2ple n ASN 71 Cb 0.00 -0.64 -0.10 0.00 -0.53 0.00 0.00 39.78 38.51 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 -2.58 -0.18 -0.23 1.20 0.15 -1.25 -5.14 113.70 105.66 2ple s SER 72 Ca 0.50 0.21 -0.07 0.00 0.70 0.00 0.00 55.95 57.29 2ple s SER 72 Cb 0.43 0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 65.10 2ple s SER 72 CO 0.01 -0.29 0.06 -0.70 1.20 0.00 0.00 173.24 173.51 2ple s GLU 73 N -0.77 3.69 0.23 5.44 2.56 -1.26 -2.34 118.70 126.26 2ple s GLU 73 Ca -0.09 -0.47 0.02 0.00 0.00 0.00 0.00 54.97 54.44 2ple s GLU 73 Cb -0.04 -3.27 0.02 0.00 2.00 0.00 0.00 34.13 32.84 2ple s GLU 73 CO 0.02 -0.09 0.19 1.19 -0.56 0.00 0.00 175.26 176.01 2ple n PHE 74 N 4.62 -1.28 -0.04 5.30 3.01 -0.83 -4.90 117.46 123.34 2ple n PHE 74 Ca -0.16 -0.97 -0.16 0.00 1.01 0.00 0.00 57.45 57.17 2ple n PHE 74 Cb 0.52 -0.19 -0.08 0.00 -0.01 0.00 0.00 39.48 39.71 2ple n PHE 74 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2ple h ASP 75 N 0.25 0.65 0.00 4.37 3.32 -1.93 -2.73 116.42 120.35 2ple h ASP 75 Ca -0.14 -0.61 0.00 0.00 0.02 0.00 0.00 57.03 56.29 2ple h ASP 75 Cb 0.54 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2ple h ASP 75 CO 0.22 1.15 0.00 -1.54 -1.72 0.00 0.00 179.24 177.36 2ple n SER 76 N -4.23 0.00 0.10 6.45 3.41 -1.26 -4.23 113.62 113.86 2ple n SER 76 Ca -0.07 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.57 2ple n SER 76 Cb 0.58 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.52 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 0.00 0.07 1.04 4.07 -1.98 -3.02 115.31 115.49 2ple h LEU 77 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 2ple h LEU 77 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2ple h LEU 77 CO 0.00 0.46 -0.03 0.58 -1.08 0.00 0.00 178.44 178.36 2ple h VAL 78 N 0.00 0.00 -0.48 1.22 2.07 -2.00 -2.90 116.25 114.16 2ple h VAL 78 Ca -0.06 -0.09 0.14 0.00 0.82 0.00 0.00 66.70 67.51 2ple h VAL 78 Cb 1.41 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2ple h VAL 78 CO 0.05 0.00 0.46 0.44 0.02 0.00 0.00 177.57 178.54 2ple h ASP 79 N -0.18 0.00 -0.15 0.57 3.32 -1.96 0.44 116.42 118.46 2ple h ASP 79 Ca -0.01 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.07 2ple h ASP 79 Cb 0.07 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2ple h ASP 79 CO 0.02 0.00 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.46 2ple h LEU 80 N 0.00 -0.08 -1.14 1.55 3.38 -1.48 -0.29 115.31 117.26 2ple h LEU 80 Ca 0.23 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2ple h LEU 80 Cb 1.15 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2ple h LEU 80 CO -0.00 -0.02 -0.07 -0.29 0.09 0.00 0.00 178.44 178.15 2ple h ILE 81 N 0.04 0.17 0.64 1.22 6.09 -0.72 -1.93 117.51 123.01 2ple h ILE 81 Ca 0.07 -0.78 -0.02 0.00 -1.37 0.00 0.00 64.86 62.75 2ple h ILE 81 Cb 0.09 1.66 -0.01 0.00 0.47 0.00 0.00 36.82 39.04 2ple h ILE 81 CO -0.13 0.07 -0.42 -1.28 -3.07 0.00 0.00 178.15 173.32 2ple h SER 82 N 0.00 -1.09 1.38 2.19 0.87 -0.40 -0.17 113.55 116.34 2ple h SER 82 Ca -0.00 0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.53 2ple h SER 82 Cb 0.66 0.33 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 2ple h SER 82 CO 0.01 -0.64 -0.47 0.10 -0.53 0.00 0.00 176.83 175.30 2ple h TYR 83 N -1.01 0.00 0.00 2.24 -0.00 -1.50 -2.98 116.97 113.72 2ple h TYR 83 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.65 2ple h TYR 83 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.56 2ple h TYR 83 CO -0.13 0.47 0.00 0.66 -0.00 0.00 0.00 178.16 179.16 2ple n TYR 84 N -3.27 0.49 0.29 0.10 4.01 -0.73 -2.13 117.16 115.93 2ple n TYR 84 Ca 0.02 0.19 0.16 0.00 -0.16 0.00 0.00 57.90 58.10 2ple n TYR 84 Cb 0.69 -0.81 0.74 0.00 -0.31 0.00 0.00 39.34 39.65 2ple n TYR 84 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2ple h GLU 85 N 0.00 0.00 0.00 -0.72 4.39 -0.86 -3.07 114.58 114.32 2ple h GLU 85 Ca 0.00 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 2ple h GLU 85 Cb 0.33 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2ple h GLU 85 CO 0.00 0.00 -1.52 1.63 -1.16 0.00 0.00 179.01 177.96 2ple n LYS 86 N -2.63 1.01 -3.90 2.33 4.76 -0.90 -5.01 118.16 113.82 2ple n LYS 86 Ca -0.00 0.04 -0.27 0.00 -2.87 0.00 0.00 58.31 55.20 2ple n LYS 86 Cb 0.15 -1.19 -0.03 0.00 -1.84 0.00 0.00 35.03 32.12 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 -2.18 3.49 0.56 2.13 3.76 -1.07 -5.10 115.29 116.89 2ple s HIS 87 Ca -0.10 0.19 -0.15 0.00 -0.15 0.00 0.00 55.06 54.85 2ple s HIS 87 Cb 0.03 -1.72 -0.06 0.00 1.11 0.00 0.00 32.58 31.94 2ple s HIS 87 CO 0.24 0.51 1.01 -1.25 -0.85 0.00 0.00 174.74 174.40 2ple s PRO 88 N -3.10 3.68 -0.10 8.40 0.04 -1.26 -4.54 135.00 138.12 2ple s PRO 88 Ca 0.35 0.99 -0.08 0.00 0.04 0.00 0.00 61.00 62.30 2ple s PRO 88 Cb -0.11 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 2ple s PRO 88 CO 0.28 -0.50 -0.16 -0.11 0.04 0.00 0.00 177.00 176.55 2ple n LEU 89 N -1.96 1.18 -4.93 -3.56 0.00 -1.23 -5.00 117.00 101.50 2ple n LEU 89 Ca 0.07 0.37 -0.19 0.00 0.00 0.00 0.00 56.01 56.25 2ple n LEU 89 Cb 0.54 -0.70 -0.02 0.00 0.00 0.00 0.00 43.42 43.24 2ple n LEU 89 CO 0.49 -0.43 0.04 -0.47 0.00 0.00 0.00 177.39 177.02 2ple s TYR 90 N -1.97 2.85 -0.87 1.96 5.04 -1.26 -4.99 117.35 118.11 2ple s TYR 90 Ca -0.13 -0.38 -0.25 0.00 -2.44 0.00 0.00 57.07 53.86 2ple s TYR 90 Cb 0.02 -2.13 -0.10 0.00 0.35 0.00 0.00 41.96 40.10 2ple s TYR 90 CO 0.20 -0.13 2.18 1.03 -1.34 0.00 0.00 175.55 177.49 2ple s ARG 91 N -4.17 2.02 0.00 4.97 3.00 -1.26 -4.14 118.95 119.37 2ple s ARG 91 Ca 0.48 0.04 0.00 0.00 0.00 0.00 0.00 55.73 56.25 2ple s ARG 91 Cb -0.07 -4.93 0.00 0.00 0.00 0.00 0.00 34.95 29.95 2ple s ARG 91 CO 0.30 -4.03 0.00 0.36 0.00 0.00 0.00 175.30 171.93 2ple n LYS 92 N 8.78 0.00 0.00 3.54 2.85 -1.26 -5.15 118.16 126.92 2ple n LYS 92 Ca 0.44 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.70 2ple n LYS 92 Cb 0.45 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.83 2ple n LYS 92 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2ple n MET 93 N 0.00 3.94 -3.70 -1.58 2.81 -1.26 -5.04 117.12 112.29 2ple n MET 93 Ca 0.00 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.70 2ple n MET 93 Cb 0.00 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.46 2ple n MET 93 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2ple n LYS 94 N 0.00 0.95 -2.11 0.03 5.02 -1.26 -3.50 118.16 117.29 2ple n LYS 94 Ca 0.00 -2.40 -0.34 0.00 -2.02 0.00 0.00 58.31 53.55 2ple n LYS 94 Cb 0.00 0.95 0.03 0.00 -0.02 0.00 0.00 35.03 35.99 2ple n LYS 94 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2ple n LEU 95 N 0.00 6.33 0.00 -0.35 -0.00 -1.26 -4.42 117.00 117.29 2ple n LEU 95 Ca -0.09 -4.95 0.00 0.00 -0.00 0.00 0.00 56.01 50.97 2ple n LEU 95 Cb 0.42 -0.79 0.00 0.00 -0.00 0.00 0.00 43.42 43.05 2ple n LEU 95 CO 0.22 1.94 0.12 -2.11 -0.00 0.00 0.00 177.39 177.56 2ple n ARG 96 N -0.55 -0.11 -2.76 1.47 -4.01 -1.26 -4.86 116.66 104.58 2ple n ARG 96 Ca 0.48 -0.25 -0.43 0.00 -1.04 0.00 0.00 57.85 56.61 2ple n ARG 96 Cb 0.46 -0.65 -0.03 0.00 -3.04 0.00 0.00 32.46 29.20 2ple n ARG 96 CO 0.00 0.00 0.00 0.71 -3.04 0.00 0.00 177.63 175.30 2ple s TYR 97 N -0.05 3.17 0.00 2.89 1.51 -1.26 -4.96 117.35 118.65 2ple s TYR 97 Ca 0.00 1.05 0.00 0.00 -1.01 0.00 0.00 57.07 57.11 2ple s TYR 97 Cb 0.00 -3.50 0.00 0.00 -0.11 0.00 0.00 41.96 38.35 2ple s TYR 97 CO 0.00 -0.69 0.00 -0.35 -1.11 0.00 0.00 175.55 173.40 2ple n PRO 98 N 6.60 0.88 -1.58 -1.71 -0.04 -1.26 -2.00 135.00 135.89 2ple n PRO 98 Ca 0.09 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.25 2ple n PRO 98 Cb 0.47 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.88 2ple n PRO 98 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2ple n ILE 99 N -0.28 3.82 -4.27 0.52 0.13 -1.26 -4.56 119.36 113.46 2ple n ILE 99 Ca 0.00 -3.21 -0.23 0.00 -1.10 0.00 0.00 62.75 58.21 2ple n ILE 99 Cb 0.00 -1.77 -0.07 0.00 -0.84 0.00 0.00 39.64 36.96 2ple n ILE 99 CO 0.00 0.00 0.00 0.21 2.80 0.00 0.00 176.55 179.56 2ple s ASN 100 N 0.53 4.65 0.00 9.51 3.84 -1.26 -4.83 114.94 127.38 2ple s ASN 100 Ca 0.59 -0.58 0.00 0.00 0.21 0.00 0.00 52.86 53.08 2ple s ASN 100 Cb 0.32 -0.91 0.00 0.00 -0.55 0.00 0.00 41.25 40.11 2ple s ASN 100 CO -0.17 0.01 0.00 -1.84 -2.79 0.00 0.00 177.10 172.31 2ple n GLU 101 N -0.80 0.00 0.25 0.43 0.00 -1.26 -4.93 120.64 114.33 2ple n GLU 101 Ca -0.07 0.00 0.16 0.00 0.00 0.00 0.00 57.16 57.25 2ple n GLU 101 Cb 0.58 0.00 0.68 0.00 0.00 0.00 0.00 31.44 32.70 2ple n GLU 101 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2ple h GLU 102 N 0.00 0.00 -2.34 3.44 4.81 -2.00 -3.35 114.58 115.14 2ple h GLU 102 Ca 0.00 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.68 2ple h GLU 102 Cb 0.00 0.00 -0.37 0.00 0.63 0.00 0.00 28.75 29.01 2ple h GLU 102 CO 0.00 0.00 -0.90 -0.80 -0.73 0.00 0.00 179.01 176.58 2ple s ASN 103 N -5.32 1.74 -0.22 1.04 -0.87 -1.26 -5.10 114.94 104.95 2ple s ASN 103 Ca 0.01 -2.64 -0.16 0.00 -1.57 0.00 0.00 52.86 48.50 2ple s ASN 103 Cb 0.09 -0.25 -0.04 0.00 -0.02 0.00 0.00 41.25 41.03 2ple s ASN 103 CO 0.50 -0.21 0.42 -0.94 -2.57 0.00 0.00 177.10 174.30 2ple s SER 104 N 0.50 6.42 0.00 -1.22 1.04 -1.26 -5.06 113.70 114.12 2ple s SER 104 Ca 0.27 0.50 0.00 0.00 0.48 0.00 0.00 55.95 57.20 2ple s SER 104 Cb -0.06 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.82 2ple s SER 104 CO -0.12 -0.14 0.00 -1.20 0.98 0.00 0.00 173.24 172.77