#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctk n SER 2 N 0.00 -1.14 -4.39 1.61 2.88 -1.26 -4.91 113.62 106.41 2ctk n SER 2 Ca 0.00 -1.25 -0.24 0.00 -1.33 0.00 0.00 58.87 56.04 2ctk n SER 2 Cb 0.00 -1.61 -0.11 0.00 -0.75 0.00 0.00 64.21 61.73 2ctk n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2ctk s SER 3 N -3.54 3.12 -0.08 -3.46 0.01 -1.26 -5.15 113.70 103.34 2ctk s SER 3 Ca 0.63 -0.88 -0.04 0.00 1.31 0.00 0.00 55.95 56.96 2ctk s SER 3 Cb -0.36 -0.22 0.04 0.00 0.21 0.00 0.00 66.02 65.69 2ctk s SER 3 CO 1.02 0.04 0.18 -0.83 0.41 0.00 0.00 173.24 174.06 2ctk s GLY 4 N -2.76 -0.08 -0.12 3.44 0.00 -1.26 -5.15 107.32 101.39 2ctk s GLY 4 Ca 0.20 0.74 -0.09 0.00 0.00 0.00 0.00 44.72 45.56 2ctk s GLY 4 CO 0.09 0.97 0.19 -0.56 0.00 0.00 0.00 173.10 173.80 2ctk s SER 5 N 1.02 6.42 0.36 1.64 0.01 -1.26 -5.08 113.70 116.81 2ctk s SER 5 Ca -0.08 0.50 -0.02 0.00 1.31 0.00 0.00 55.95 57.66 2ctk s SER 5 Cb -0.10 -2.11 0.01 0.00 0.21 0.00 0.00 66.02 64.03 2ctk s SER 5 CO -0.06 0.32 0.51 -1.20 0.41 0.00 0.00 173.24 173.23 2ctk n SER 6 N 2.41 -1.42 -3.37 2.44 7.64 -1.26 -5.14 113.62 114.91 2ctk n SER 6 Ca -0.18 -2.92 -0.19 0.00 1.01 0.00 0.00 58.87 56.60 2ctk n SER 6 Cb 0.54 2.64 -0.08 0.00 -1.01 0.00 0.00 64.21 66.30 2ctk n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ctk s GLY 7 N -3.21 0.11 -0.10 0.23 0.00 -1.26 -5.11 107.32 97.98 2ctk s GLY 7 Ca 0.29 -1.14 -0.04 0.00 0.00 0.00 0.00 44.72 43.83 2ctk s GLY 7 CO 0.21 2.65 0.22 0.54 0.00 0.00 0.00 173.10 176.71 2ctk s LYS 8 N 1.34 0.14 0.08 2.90 3.01 -1.26 -5.16 119.74 120.79 2ctk s LYS 8 Ca 0.17 0.58 0.05 0.00 -1.01 0.00 0.00 55.97 55.77 2ctk s LYS 8 Cb -0.16 -0.13 -0.03 0.00 -1.01 0.00 0.00 37.83 36.50 2ctk s LYS 8 CO -0.02 -0.23 -0.15 -1.21 0.51 0.00 0.00 175.35 174.26 2ctk s GLU 9 N 1.78 0.86 -0.37 1.68 2.02 -1.26 -5.12 118.70 118.30 2ctk s GLU 9 Ca -0.04 -1.00 0.01 0.00 0.02 0.00 0.00 54.97 53.96 2ctk s GLU 9 Cb -0.11 -0.89 0.12 0.00 0.10 0.00 0.00 34.13 33.34 2ctk s GLU 9 CO -0.08 0.20 0.16 0.00 0.02 0.00 0.00 175.26 175.56 2ctk s ALA 10 N -1.33 1.88 -0.13 5.21 0.00 -1.26 -5.09 121.76 121.04 2ctk s ALA 10 Ca -0.00 -2.14 -0.06 0.00 0.00 0.00 0.00 51.96 49.75 2ctk s ALA 10 Cb -0.10 -1.76 0.05 0.00 0.00 0.00 0.00 23.12 21.31 2ctk s ALA 10 CO 0.02 -1.86 0.29 -1.17 0.00 0.00 0.00 175.76 173.04 2ctk s LEU 11 N 0.99 0.14 -0.11 0.00 0.20 -1.26 -5.14 118.68 113.51 2ctk s LEU 11 Ca 0.14 0.63 -0.02 0.00 0.69 0.00 0.00 54.13 55.56 2ctk s LEU 11 Cb -0.21 0.87 0.04 0.00 -0.43 0.00 0.00 46.19 46.47 2ctk s LEU 11 CO -0.12 -0.19 0.04 -0.70 -0.29 0.00 0.00 176.35 175.09 2ctk s GLU 12 N 1.55 0.41 -0.26 1.98 2.12 -1.26 -5.12 118.70 118.11 2ctk s GLU 12 Ca -0.07 -0.01 -0.26 0.00 0.36 0.00 0.00 54.97 54.99 2ctk s GLU 12 Cb -0.10 -1.32 0.14 0.00 0.26 0.00 0.00 34.13 33.11 2ctk s GLU 12 CO -0.10 -0.45 1.11 0.00 -0.54 0.00 0.00 175.26 175.28 2ctk s ALA 13 N 2.01 -2.01 -0.08 6.30 0.00 -1.26 -5.07 121.76 121.64 2ctk s ALA 13 Ca 0.03 1.79 0.01 0.00 0.00 0.00 0.00 51.96 53.79 2ctk s ALA 13 Cb -0.14 -1.36 -0.06 0.00 0.00 0.00 0.00 23.12 21.56 2ctk s ALA 13 CO -0.06 -0.23 -0.07 1.47 0.00 0.00 0.00 175.76 176.87 2ctk n LEU 14 N 1.75 2.87 -4.83 0.00 -0.00 -1.26 -5.01 117.00 110.52 2ctk n LEU 14 Ca -0.11 -0.04 -0.37 0.00 -0.00 0.00 0.00 56.01 55.48 2ctk n LEU 14 Cb 0.57 -0.28 -0.06 0.00 -0.00 0.00 0.00 43.42 43.64 2ctk n LEU 14 CO 0.05 0.62 -0.05 0.54 -0.00 0.00 0.00 177.39 178.56 2ctk s VAL 15 N -2.17 5.30 1.22 1.47 0.11 -1.26 -5.05 120.40 120.02 2ctk s VAL 15 Ca -0.11 0.49 -0.20 0.00 -2.93 0.00 0.00 61.98 59.23 2ctk s VAL 15 Cb 0.03 -3.56 0.30 0.00 -1.53 0.00 0.00 36.38 31.62 2ctk s VAL 15 CO 0.20 0.55 1.11 -2.16 -3.33 0.00 0.00 175.10 171.47 2ctk s PRO 16 N -0.66 -1.37 0.06 1.54 0.04 -1.26 -4.87 135.00 128.48 2ctk s PRO 16 Ca 0.18 -0.13 -0.02 0.00 0.04 0.00 0.00 61.00 61.07 2ctk s PRO 16 Cb -0.14 -1.58 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 2ctk s PRO 16 CO 0.07 -3.80 -0.00 0.14 0.04 0.00 0.00 177.00 173.45 2ctk s VAL 17 N -3.02 0.21 -0.09 -0.36 -7.23 0.59 -4.79 120.40 105.71 2ctk s VAL 17 Ca 0.71 -1.74 -0.12 0.00 -1.81 0.00 0.00 61.98 59.02 2ctk s VAL 17 Cb -0.09 -1.52 -0.05 0.00 0.56 0.00 0.00 36.38 35.28 2ctk s VAL 17 CO 0.56 -0.93 0.29 -0.89 -0.31 0.00 0.00 175.10 173.81 2ctk s THR 18 N -3.92 5.27 0.32 5.32 2.01 -1.26 -0.83 115.64 122.55 2ctk s THR 18 Ca 0.08 0.55 0.01 0.00 0.31 0.00 0.00 61.69 62.63 2ctk s THR 18 Cb 0.08 -3.59 0.01 0.00 0.01 0.00 0.00 72.50 69.00 2ctk s THR 18 CO -0.10 0.53 0.05 2.30 -0.69 0.00 0.00 174.62 176.72 2ctk n ILE 19 N 2.43 0.00 -3.96 1.82 -5.35 0.07 -4.92 119.36 109.46 2ctk n ILE 19 Ca -0.15 -1.46 -0.21 0.00 -0.27 0.00 0.00 62.75 60.66 2ctk n ILE 19 Cb 0.53 0.20 -0.17 0.00 -1.74 0.00 0.00 39.64 38.46 2ctk n ILE 19 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2ctk s GLU 20 N -3.19 0.64 -0.07 6.28 2.02 -1.26 -2.81 118.70 120.31 2ctk s GLU 20 Ca 0.04 0.02 0.05 0.00 0.02 0.00 0.00 54.97 55.10 2ctk s GLU 20 Cb -0.00 -0.83 -0.01 0.00 0.10 0.00 0.00 34.13 33.39 2ctk s GLU 20 CO 0.02 -0.18 -0.24 0.08 0.02 0.00 0.00 175.26 174.96 2ctk s VAL 21 N 1.37 2.00 -0.28 2.63 1.01 0.84 -4.95 120.40 123.02 2ctk s VAL 21 Ca -0.04 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 60.63 2ctk s VAL 21 Cb -0.13 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.54 2ctk s VAL 21 CO -0.02 0.55 1.31 -1.61 0.00 0.00 0.00 175.10 175.33 2ctk s GLU 22 N 0.01 3.95 -0.21 2.72 2.02 -1.26 -0.91 118.70 125.02 2ctk s GLU 22 Ca -0.08 1.31 -0.11 0.00 0.02 0.00 0.00 54.97 56.11 2ctk s GLU 22 Cb -0.15 -3.87 0.07 0.00 0.10 0.00 0.00 34.13 30.28 2ctk s GLU 22 CO 0.05 -1.08 0.50 0.08 0.02 0.00 0.00 175.26 174.83 2ctk s VAL 23 N 4.31 -0.06 0.23 2.63 1.01 0.28 -4.94 120.40 123.86 2ctk s VAL 23 Ca 0.57 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 62.31 2ctk s VAL 23 Cb -0.18 -0.74 -0.09 0.00 0.00 0.00 0.00 36.38 35.37 2ctk s VAL 23 CO 0.22 0.03 1.28 -2.16 0.00 0.00 0.00 175.10 174.47 2ctk s PRO 24 N 1.55 4.42 0.66 2.72 0.04 -1.26 -3.90 135.00 139.22 2ctk s PRO 24 Ca -0.09 2.04 0.39 0.00 0.04 0.00 0.00 61.00 63.38 2ctk s PRO 24 Cb -0.08 -3.17 2.14 0.00 0.04 0.00 0.00 34.50 33.43 2ctk s PRO 24 CO -0.15 -0.18 2.24 0.35 0.04 0.00 0.00 177.00 179.30 2ctk h PHE 25 N 4.83 0.00 0.00 0.56 3.04 -1.87 0.68 116.94 124.18 2ctk h PHE 25 Ca -0.46 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.49 2ctk h PHE 25 Cb 1.22 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.73 2ctk h PHE 25 CO 0.61 0.00 0.00 -0.25 -2.02 0.00 0.00 178.31 176.65 2ctk n ASP 26 N -3.16 0.25 -0.07 0.41 8.00 -1.26 -2.29 116.55 118.43 2ctk n ASP 26 Ca -0.02 0.58 -0.07 0.00 0.71 0.00 0.00 54.79 55.99 2ctk n ASP 26 Cb 0.17 -0.63 -0.12 0.00 -0.02 0.00 0.00 41.12 40.52 2ctk n ASP 26 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2ctk n LEU 27 N -1.80 0.00 -0.29 0.64 4.77 0.22 -4.63 117.00 115.91 2ctk n LEU 27 Ca 0.02 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.88 2ctk n LEU 27 Cb 0.13 0.35 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 2ctk n LEU 27 CO 0.12 0.35 0.49 0.45 -1.33 0.00 0.00 177.39 177.47 2ctk h HIS 28 N 0.00 -1.79 -1.49 -1.77 3.86 -1.40 0.89 115.15 113.45 2ctk h HIS 28 Ca -0.39 0.11 0.44 0.00 -1.16 0.00 0.00 60.37 59.37 2ctk h HIS 28 Cb 1.87 0.88 -0.08 0.00 1.06 0.00 0.00 27.41 31.14 2ctk h HIS 28 CO 0.00 -0.42 1.04 0.07 0.86 0.00 0.00 177.93 179.48 2ctk h ARG 29 N -0.18 0.05 0.13 2.45 0.11 -1.82 0.82 114.38 115.94 2ctk h ARG 29 Ca 0.12 -0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.87 2ctk h ARG 29 Cb 0.49 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.55 2ctk h ARG 29 CO -0.78 0.03 -1.65 1.88 0.10 0.00 0.00 179.97 179.55 2ctk h TYR 30 N 0.05 0.51 0.49 4.08 0.05 0.33 -3.19 116.97 119.29 2ctk h TYR 30 Ca 0.76 -0.37 -0.02 0.00 0.05 0.00 0.00 58.73 59.15 2ctk h TYR 30 Cb 2.82 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 40.54 2ctk h TYR 30 CO -0.00 1.48 -0.23 0.28 -1.05 0.00 0.00 178.16 178.64 2ctk h VAL 31 N 0.08 0.00 0.02 -2.88 2.07 0.42 -3.33 116.25 112.62 2ctk h VAL 31 Ca -0.29 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 66.95 2ctk h VAL 31 Cb 2.04 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 2ctk h VAL 31 CO 0.15 0.00 -0.50 0.40 0.02 0.00 0.00 177.57 177.64 2ctk h ILE 32 N -0.95 0.05 -0.55 4.57 2.04 -0.87 -3.16 117.51 118.63 2ctk h ILE 32 Ca -0.07 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.86 2ctk h ILE 32 Cb 0.50 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 2ctk h ILE 32 CO 0.11 0.00 -0.10 0.61 0.00 0.00 0.00 178.15 178.77 2ctk n GLY 33 N -1.46 -1.47 3.78 5.37 0.00 -1.20 -3.16 105.19 107.05 2ctk n GLY 33 Ca -0.07 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.14 2ctk n GLY 33 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ctk s GLN 34 N -1.34 3.32 -0.49 1.61 -1.52 -1.26 -3.17 119.66 116.80 2ctk s GLN 34 Ca 0.00 1.44 -0.04 0.00 -1.95 0.00 0.00 55.36 54.81 2ctk s GLN 34 Cb 0.00 -2.02 0.03 0.00 -0.22 0.00 0.00 33.01 30.81 2ctk s GLN 34 CO 0.00 -0.84 0.11 1.63 -0.25 0.00 0.00 175.29 175.94 2ctk n LYS 35 N -1.61 -2.64 -4.13 2.91 5.02 -1.26 -1.42 118.16 115.04 2ctk n LYS 35 Ca 0.10 0.15 -0.40 0.00 -2.02 0.00 0.00 58.31 56.14 2ctk n LYS 35 Cb 0.52 -4.69 -0.02 0.00 -0.02 0.00 0.00 35.03 30.82 2ctk n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ctk n GLY 36 N -0.67 -0.55 0.13 0.72 0.00 -1.19 -4.87 105.19 98.76 2ctk n GLY 36 Ca -0.01 0.26 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 2ctk n GLY 36 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ctk n SER 37 N -2.21 1.93 -0.30 1.61 2.88 -0.51 -3.86 113.62 113.16 2ctk n SER 37 Ca -0.18 0.36 -0.08 0.00 -1.33 0.00 0.00 58.87 57.65 2ctk n SER 37 Cb 0.57 -0.84 -0.07 0.00 -0.75 0.00 0.00 64.21 63.12 2ctk n SER 37 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2ctk h GLY 38 N -1.00 -1.37 1.02 0.46 0.00 -1.75 0.12 103.07 100.54 2ctk h GLY 38 Ca -0.55 0.90 -0.00 0.00 0.00 0.00 0.00 47.33 47.68 2ctk h GLY 38 CO -0.33 -0.26 0.53 -2.22 0.00 0.00 0.00 176.54 174.26 2ctk h ILE 39 N -0.01 1.24 -0.90 2.60 2.04 -1.61 -2.90 117.51 117.98 2ctk h ILE 39 Ca 0.11 -0.53 0.17 0.00 1.00 0.00 0.00 64.86 65.61 2ctk h ILE 39 Cb 0.30 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.22 2ctk h ILE 39 CO -0.67 0.26 -0.28 -0.09 0.00 0.00 0.00 178.15 177.37 2ctk h ARG 40 N 1.21 -0.02 -0.94 2.37 2.43 -0.89 0.50 114.38 119.05 2ctk h ARG 40 Ca 0.32 0.00 0.28 0.00 -0.81 0.00 0.00 59.98 59.77 2ctk h ARG 40 Cb -0.05 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 29.34 2ctk h ARG 40 CO -0.06 -0.01 0.25 -0.22 -1.51 0.00 0.00 179.97 178.42 2ctk h LYS 41 N -0.02 0.13 0.27 0.20 3.11 -1.19 0.63 116.57 119.70 2ctk h LYS 41 Ca 0.39 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.21 2ctk h LYS 41 Cb 0.64 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.84 2ctk h LYS 41 CO -0.92 0.08 -0.13 0.52 -2.81 0.00 0.00 179.45 176.19 2ctk h MET 42 N 0.13 -0.35 -1.40 1.90 2.86 -0.18 -0.78 114.93 117.11 2ctk h MET 42 Ca 0.62 0.02 0.41 0.00 -2.06 0.00 0.00 59.70 58.69 2ctk h MET 42 Cb 1.36 0.08 -0.06 0.00 0.06 0.00 0.00 31.60 33.04 2ctk h MET 42 CO -0.74 -0.01 1.00 0.52 1.06 0.00 0.00 176.91 178.73 2ctk h MET 43 N -0.94 0.02 0.16 1.72 2.86 -0.31 0.58 114.93 119.01 2ctk h MET 43 Ca -0.04 -0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.28 2ctk h MET 43 Cb 0.49 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2ctk h MET 43 CO 0.06 0.01 -1.63 -0.44 1.06 0.00 0.00 176.91 175.97 2ctk h ASP 44 N 0.02 0.51 0.48 1.22 5.19 -0.90 -1.26 116.42 121.68 2ctk h ASP 44 Ca 0.68 -0.91 -0.02 0.00 -0.62 0.00 0.00 57.03 56.16 2ctk h ASP 44 Cb 2.66 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 42.00 2ctk h ASP 44 CO -0.03 1.73 -0.23 -0.08 -3.12 0.00 0.00 179.24 177.50 2ctk h GLU 45 N -0.06 -0.62 0.00 3.56 4.57 0.12 -3.18 114.58 118.97 2ctk h GLU 45 Ca -0.33 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 2ctk h GLU 45 Cb 1.96 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 30.69 2ctk h GLU 45 CO 0.12 -0.41 0.00 1.19 -1.18 0.00 0.00 179.01 178.73 2ctk n PHE 46 N -4.73 0.00 -3.69 0.92 3.72 0.16 -4.90 117.46 108.94 2ctk n PHE 46 Ca -0.08 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.11 2ctk n PHE 46 Cb 0.25 -0.26 0.04 0.00 -0.94 0.00 0.00 39.48 38.57 2ctk n PHE 46 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2ctk n GLU 47 N -1.26 -5.04 -4.43 -1.08 1.02 -0.90 -4.80 120.64 104.15 2ctk n GLU 47 Ca 0.12 0.63 -0.23 0.00 -0.02 0.00 0.00 57.16 57.67 2ctk n GLU 47 Cb 0.18 -5.23 -0.08 0.00 -0.02 0.00 0.00 31.44 26.29 2ctk n GLU 47 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2ctk s VAL 48 N -3.64 0.47 -0.22 2.62 -7.23 -0.53 -4.89 120.40 106.98 2ctk s VAL 48 Ca 0.02 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 2ctk s VAL 48 Cb -0.01 -2.43 0.05 0.00 0.56 0.00 0.00 36.38 34.55 2ctk s VAL 48 CO 0.81 0.00 -0.11 0.20 -0.31 0.00 0.00 175.10 175.69 2ctk s ASN 49 N -3.51 3.78 -0.08 4.85 0.01 -0.55 -4.23 114.94 115.22 2ctk s ASN 49 Ca 0.30 -1.07 -0.13 0.00 -0.71 0.00 0.00 52.86 51.24 2ctk s ASN 49 Cb 0.03 -1.36 -0.05 0.00 0.41 0.00 0.00 41.25 40.28 2ctk s ASN 49 CO 0.17 -0.15 0.33 -0.63 -1.51 0.00 0.00 177.10 175.31 2ctk s ILE 50 N 1.28 5.21 -0.10 0.60 1.01 -1.26 -0.21 121.20 127.74 2ctk s ILE 50 Ca -0.04 0.66 0.02 0.00 0.00 0.00 0.00 60.65 61.29 2ctk s ILE 50 Cb -0.17 -3.64 0.01 0.00 0.01 0.00 0.00 42.46 38.66 2ctk s ILE 50 CO -0.07 0.51 -0.16 -1.00 0.00 0.00 0.00 174.94 174.21 2ctk s HIS 51 N -0.45 1.92 -0.08 3.97 3.76 0.11 -5.00 115.29 119.52 2ctk s HIS 51 Ca 0.20 -0.84 0.00 0.00 -0.15 0.00 0.00 55.06 54.28 2ctk s HIS 51 Cb -0.15 -1.37 -0.03 0.00 1.11 0.00 0.00 32.58 32.14 2ctk s HIS 51 CO 0.09 -0.42 -0.06 0.08 -0.85 0.00 0.00 174.74 173.58 2ctk s VAL 52 N 0.81 3.74 0.28 -0.90 1.01 -1.26 -1.77 120.40 122.30 2ctk s VAL 52 Ca -0.10 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 2ctk s VAL 52 Cb -0.16 -2.54 -0.10 0.00 0.00 0.00 0.00 36.38 33.59 2ctk s VAL 52 CO 0.01 0.59 1.25 -2.16 0.00 0.00 0.00 175.10 174.79 2ctk s PRO 53 N -0.69 4.44 1.04 2.72 0.04 -1.26 -5.01 135.00 136.29 2ctk s PRO 53 Ca 0.10 2.06 -0.11 0.00 0.04 0.00 0.00 61.00 63.09 2ctk s PRO 53 Cb -0.11 -3.14 0.22 0.00 0.04 0.00 0.00 34.50 31.50 2ctk s PRO 53 CO 0.02 -0.10 1.09 0.00 0.04 0.00 0.00 177.00 178.04 2ctk s ALA 54 N -0.75 0.46 0.27 8.56 0.00 -1.26 -4.83 121.76 124.21 2ctk s ALA 54 Ca 0.50 0.27 0.18 0.00 0.00 0.00 0.00 51.96 52.91 2ctk s ALA 54 Cb -0.37 -3.36 0.80 0.00 0.00 0.00 0.00 23.12 20.19 2ctk s ALA 54 CO 0.45 -3.35 1.81 -1.00 0.00 0.00 0.00 175.76 173.66 2ctk h PRO 55 N -2.29 0.00 0.00 0.00 0.13 -1.98 -2.57 132.00 125.30 2ctk h PRO 55 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2ctk h PRO 55 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2ctk h PRO 55 CO 0.45 0.35 0.00 -0.85 -0.23 0.00 0.00 178.00 177.72 2ctk n GLU 56 N -3.71 0.04 -0.01 0.86 0.28 -1.26 -2.58 120.64 114.25 2ctk n GLU 56 Ca -0.01 0.20 0.01 0.00 -0.16 0.00 0.00 57.16 57.21 2ctk n GLU 56 Cb 0.44 -1.56 -0.12 0.00 1.43 0.00 0.00 31.44 31.63 2ctk n GLU 56 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2ctk n LEU 57 N -1.63 0.37 -3.80 -1.84 4.77 -0.97 -5.00 117.00 108.90 2ctk n LEU 57 Ca 0.04 0.16 -0.23 0.00 -0.03 0.00 0.00 56.01 55.95 2ctk n LEU 57 Cb 0.24 0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 2ctk n LEU 57 CO 0.19 0.17 -0.13 0.00 -1.33 0.00 0.00 177.39 176.29 2ctk n GLN 58 N -2.65 -4.28 -4.07 3.23 6.02 -1.06 -4.97 117.38 109.60 2ctk n GLN 58 Ca -0.14 0.53 -0.31 0.00 -0.01 0.00 0.00 57.00 57.08 2ctk n GLN 58 Cb 0.83 -4.93 -0.07 0.00 1.02 0.00 0.00 30.24 27.09 2ctk n GLN 58 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2ctk s SER 59 N -4.35 5.59 -0.15 1.08 0.15 -1.26 -5.01 113.70 109.75 2ctk s SER 59 Ca 0.02 0.05 0.17 0.00 0.70 0.00 0.00 55.95 56.88 2ctk s SER 59 Cb -0.01 -1.54 0.40 0.00 -1.71 0.00 0.00 66.02 63.16 2ctk s SER 59 CO 0.84 0.21 1.29 0.47 1.20 0.00 0.00 173.24 177.24 2ctk n ASP 60 N 0.70 3.14 -4.14 5.45 8.00 -1.26 -4.33 116.55 124.11 2ctk n ASP 60 Ca -0.10 -2.98 -0.33 0.00 0.71 0.00 0.00 54.79 52.08 2ctk n ASP 60 Cb 0.52 -0.47 -0.16 0.00 -0.02 0.00 0.00 41.12 40.99 2ctk n ASP 60 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ctk s ILE 61 N -2.73 2.22 0.02 0.53 -1.09 -1.25 -0.55 121.20 118.34 2ctk s ILE 61 Ca 0.36 -0.89 -0.09 0.00 -2.23 0.00 0.00 60.65 57.79 2ctk s ILE 61 Cb 0.30 -1.95 -0.05 0.00 -1.58 0.00 0.00 42.46 39.18 2ctk s ILE 61 CO 0.06 0.52 0.33 -0.63 -1.23 0.00 0.00 174.94 173.99 2ctk s ILE 62 N 1.31 5.20 -0.16 2.92 1.01 -0.09 -4.59 121.20 126.80 2ctk s ILE 62 Ca 0.05 0.39 -0.04 0.00 0.00 0.00 0.00 60.65 61.06 2ctk s ILE 62 Cb -0.13 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 2ctk s ILE 62 CO -0.12 0.40 -0.03 0.00 0.00 0.00 0.00 174.94 175.19 2ctk s ALA 63 N -1.27 3.02 -0.17 9.38 0.00 -0.73 -0.11 121.76 131.88 2ctk s ALA 63 Ca 0.28 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.43 2ctk s ALA 63 Cb -0.14 -1.58 0.02 0.00 0.00 0.00 0.00 23.12 21.42 2ctk s ALA 63 CO 0.15 0.20 -0.20 0.42 0.00 0.00 0.00 175.76 176.33 2ctk s ILE 64 N 0.39 2.02 -0.05 0.00 1.01 -1.12 0.06 121.20 123.51 2ctk s ILE 64 Ca -0.04 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 59.57 2ctk s ILE 64 Cb -0.14 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.46 2ctk s ILE 64 CO 0.03 0.54 0.29 -0.89 0.00 0.00 0.00 174.94 174.91 2ctk s THR 65 N 1.19 5.23 0.00 2.92 2.01 0.71 -0.75 115.64 126.96 2ctk s THR 65 Ca 0.02 0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.59 2ctk s THR 65 Cb -0.14 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 68.79 2ctk s THR 65 CO -0.10 0.59 0.00 0.61 -0.69 0.00 0.00 174.62 175.03 2ctk n GLY 66 N 1.91 1.15 3.76 4.40 0.00 -0.01 -1.48 105.19 114.93 2ctk n GLY 66 Ca -0.16 -1.31 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 2ctk n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ctk s LEU 67 N 0.00 4.41 0.38 0.99 1.43 -1.26 -0.30 118.68 124.33 2ctk s LEU 67 Ca 0.00 2.67 0.29 0.00 -1.03 0.00 0.00 54.13 56.07 2ctk s LEU 67 Cb 0.00 -3.64 1.26 0.00 0.03 0.00 0.00 46.19 43.84 2ctk s LEU 67 CO 0.00 -0.60 1.27 0.00 0.23 0.00 0.00 176.35 177.26 2ctk n ALA 68 N 1.39 1.20 -0.04 4.21 0.00 -1.26 0.19 120.51 126.20 2ctk n ALA 68 Ca 0.03 0.68 -0.14 0.00 0.00 0.00 0.00 53.44 54.01 2ctk n ALA 68 Cb 0.41 -0.88 -0.09 0.00 0.00 0.00 0.00 19.45 18.90 2ctk n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ctk h ALA 69 N 1.20 0.11 -0.49 0.00 0.00 -2.01 -2.83 119.26 115.25 2ctk h ALA 69 Ca 0.73 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 55.21 2ctk h ALA 69 Cb 2.47 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 20.22 2ctk h ALA 69 CO -0.31 -0.01 -0.06 -0.91 0.00 0.00 0.00 179.25 177.96 2ctk h ASN 70 N -0.26 0.84 -0.49 0.00 2.35 0.17 -2.70 115.58 115.49 2ctk h ASN 70 Ca 0.00 -0.24 -0.00 0.00 -0.55 0.00 0.00 56.30 55.51 2ctk h ASN 70 Cb 0.70 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.81 2ctk h ASN 70 CO 0.03 0.94 0.30 -0.07 -1.65 0.00 0.00 177.43 176.98 2ctk h LEU 71 N 0.78 0.61 0.41 1.61 3.38 -0.82 0.09 115.31 121.38 2ctk h LEU 71 Ca 0.14 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2ctk h LEU 71 Cb 0.56 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2ctk h LEU 71 CO 0.03 0.48 -0.20 0.44 0.09 0.00 0.00 178.44 179.29 2ctk h ASP 72 N 0.70 -0.46 -0.78 -0.43 3.32 -1.22 0.38 116.42 117.92 2ctk h ASP 72 Ca 0.18 -0.12 0.05 0.00 0.02 0.00 0.00 57.03 57.17 2ctk h ASP 72 Cb -0.01 0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.60 2ctk h ASP 72 CO -0.03 -0.07 0.48 0.08 -1.72 0.00 0.00 179.24 177.97 2ctk h ARG 73 N -0.93 0.86 0.38 3.56 0.11 -1.36 0.00 114.38 117.01 2ctk h ARG 73 Ca -0.06 -0.05 -0.02 0.00 0.10 0.00 0.00 59.98 59.95 2ctk h ARG 73 Cb 0.55 -0.19 0.00 0.00 1.11 0.00 0.00 29.97 31.44 2ctk h ARG 73 CO 0.09 0.57 -0.18 0.00 0.10 0.00 0.00 179.97 180.55 2ctk h ALA 74 N 1.37 -0.51 -1.00 0.08 0.00 -1.00 -3.02 119.26 115.18 2ctk h ALA 74 Ca 0.34 -0.18 0.24 0.00 0.00 0.00 0.00 54.91 55.31 2ctk h ALA 74 Cb 0.13 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 2ctk h ALA 74 CO -0.16 -0.54 0.65 -0.22 0.00 0.00 0.00 179.25 178.98 2ctk h LYS 75 N -1.01 0.39 -0.69 0.00 3.64 -0.14 0.27 116.57 119.02 2ctk h LYS 75 Ca -0.05 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 2ctk h LYS 75 Cb 0.52 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 2ctk h LYS 75 CO 0.09 0.26 0.27 0.00 -2.27 0.00 0.00 179.45 177.79 2ctk h ALA 76 N 1.61 1.17 -0.28 5.00 0.00 -0.98 -1.82 119.26 123.96 2ctk h ALA 76 Ca 0.55 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 55.13 2ctk h ALA 76 Cb 1.39 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2ctk h ALA 76 CO -0.24 0.60 -0.38 0.78 0.00 0.00 0.00 179.25 180.01 2ctk h GLY 77 N 1.07 0.81 0.67 0.00 0.00 -0.36 -3.13 103.07 102.14 2ctk h GLY 77 Ca 0.23 -0.89 -0.03 0.00 0.00 0.00 0.00 47.33 46.64 2ctk h GLY 77 CO -0.02 0.80 -0.32 -2.00 0.00 0.00 0.00 176.54 175.00 2ctk h LEU 78 N 0.49 -0.76 -0.95 3.11 5.85 -1.21 -0.20 115.31 121.64 2ctk h LEU 78 Ca 0.03 0.03 0.25 0.00 0.84 0.00 0.00 57.88 59.03 2ctk h LEU 78 Cb 0.97 0.20 -0.18 0.00 0.37 0.00 0.00 40.66 42.02 2ctk h LEU 78 CO 0.09 -0.48 -0.02 0.18 -0.34 0.00 0.00 178.44 177.86 2ctk n LEU 79 N -4.75 -0.15 -0.09 2.25 4.77 -0.70 0.15 117.00 118.48 2ctk n LEU 79 Ca -0.11 1.62 -0.11 0.00 -0.03 0.00 0.00 56.01 57.38 2ctk n LEU 79 Cb 0.35 -0.57 0.02 0.00 -2.33 0.00 0.00 43.42 40.89 2ctk n LEU 79 CO 0.27 -1.63 0.57 -0.33 -1.33 0.00 0.00 177.39 174.94 2ctk h GLU 80 N 0.00 0.83 -0.37 3.23 5.08 -1.48 -2.74 114.58 119.13 2ctk h GLU 80 Ca 0.56 -0.42 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2ctk h GLU 80 Cb 1.11 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2ctk h GLU 80 CO -0.91 1.06 0.25 -0.09 -1.00 0.00 0.00 179.01 178.31 2ctk h ARG 81 N 0.68 0.47 -0.08 2.33 9.65 0.33 -1.69 114.38 126.07 2ctk h ARG 81 Ca 0.06 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.82 2ctk h ARG 81 Cb 0.94 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.42 2ctk h ARG 81 CO 0.09 0.31 -0.31 0.28 2.80 0.00 0.00 179.97 183.14 2ctk h VAL 82 N 0.49 1.41 -0.44 0.20 2.07 -0.79 0.22 116.25 119.41 2ctk h VAL 82 Ca 0.14 -1.69 0.02 0.00 0.82 0.00 0.00 66.70 65.99 2ctk h VAL 82 Cb -0.03 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2ctk h VAL 82 CO -0.03 0.49 0.29 0.11 0.02 0.00 0.00 177.57 178.45 2ctk h LYS 83 N -0.13 0.53 0.14 1.57 1.57 -1.16 0.11 116.57 119.19 2ctk h LYS 83 Ca -0.02 -0.03 -0.28 0.00 -1.87 0.00 0.00 60.65 58.46 2ctk h LYS 83 Cb 0.95 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 33.14 2ctk h LYS 83 CO 0.06 0.35 -1.37 0.93 -0.57 0.00 0.00 179.45 178.86 2ctk h GLU 84 N 0.55 0.30 0.47 3.15 5.08 -1.31 -3.25 114.58 119.56 2ctk h GLU 84 Ca 0.17 -0.51 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 2ctk h GLU 84 Cb 0.01 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2ctk h GLU 84 CO -0.04 1.24 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.92 2ctk h LEU 85 N -0.22 -0.54 -1.91 1.33 3.38 -0.29 -2.34 115.31 114.73 2ctk h LEU 85 Ca -0.28 0.01 0.18 0.00 0.09 0.00 0.00 57.88 57.88 2ctk h LEU 85 Cb 1.82 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.68 2ctk h LEU 85 CO 0.11 -0.37 0.47 0.06 0.09 0.00 0.00 178.44 178.80 2ctk h GLN 86 N -0.65 0.09 0.00 1.13 3.07 -0.97 0.42 115.11 118.20 2ctk h GLN 86 Ca -0.06 -0.01 -0.04 0.00 0.09 0.00 0.00 58.65 58.63 2ctk h GLN 86 Cb 0.49 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.03 2ctk h GLN 86 CO 0.11 0.06 -0.19 0.00 0.09 0.00 0.00 178.83 178.89 2ctk h ALA 87 N 1.67 1.15 0.00 0.06 0.00 -1.46 -1.50 119.26 119.19 2ctk h ALA 87 Ca 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2ctk h ALA 87 Cb 1.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2ctk h ALA 87 CO -0.03 0.24 -0.36 0.93 0.00 0.00 0.00 179.25 180.02 2ctk h GLU 88 N 0.00 0.00 -0.39 0.00 4.39 0.01 -2.91 114.58 115.68 2ctk h GLU 88 Ca -0.00 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.81 2ctk h GLU 88 Cb 0.55 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 2ctk h GLU 88 CO 0.02 0.00 0.40 -0.56 -1.16 0.00 0.00 179.01 177.71 2ctk h GLN 89 N -0.82 0.00 0.19 2.33 -0.00 -1.40 -0.47 115.11 114.94 2ctk h GLN 89 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.65 58.35 2ctk h GLN 89 Cb 0.36 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 27.86 2ctk h GLN 89 CO 0.00 0.00 -1.44 1.49 -0.00 0.00 0.00 178.83 178.88 2ctk h GLU 90 N 0.00 0.40 -1.00 0.06 4.57 -1.43 -3.34 114.58 113.83 2ctk h GLU 90 Ca 0.19 -0.68 0.33 0.00 -1.18 0.00 0.00 59.36 58.02 2ctk h GLU 90 Cb 0.98 0.25 -0.18 0.00 -0.16 0.00 0.00 28.75 29.64 2ctk h GLU 90 CO -0.00 1.33 0.23 0.22 -1.18 0.00 0.00 179.01 179.60 2ctk h ASP 91 N -0.05 -0.17 0.70 1.04 3.58 -0.86 0.70 116.42 121.37 2ctk h ASP 91 Ca -0.27 0.27 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 2ctk h ASP 91 Cb 1.98 0.40 -0.00 0.00 1.72 0.00 0.00 39.33 43.43 2ctk h ASP 91 CO 0.18 -0.39 -0.41 0.03 -2.88 0.00 0.00 179.24 175.77 2ctk h ARG 92 N 0.01 -1.00 -0.45 0.28 3.08 -1.68 -2.99 114.38 111.63 2ctk h ARG 92 Ca 0.70 0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.91 2ctk h ARG 92 Cb 1.63 0.23 -0.09 0.00 0.08 0.00 0.00 29.97 31.81 2ctk h ARG 92 CO -0.86 -0.67 -0.16 0.00 -1.07 0.00 0.00 179.97 177.21 2ctk h ALA 93 N -1.33 0.22 -0.95 0.04 0.00 -1.10 -2.01 119.26 114.14 2ctk h ALA 93 Ca -0.09 0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.13 2ctk h ALA 93 Cb 0.83 0.42 -0.15 0.00 0.00 0.00 0.00 17.79 18.89 2ctk h ALA 93 CO 0.11 -0.50 -0.38 -0.11 0.00 0.00 0.00 179.25 178.37 2ctk n LEU 94 N -5.37 -0.63 -4.59 0.00 7.94 -0.19 -3.78 117.00 110.37 2ctk n LEU 94 Ca 0.03 1.66 -0.43 0.00 -1.11 0.00 0.00 56.01 56.17 2ctk n LEU 94 Cb 0.27 -0.37 -0.02 0.00 0.53 0.00 0.00 43.42 43.83 2ctk n LEU 94 CO 0.11 -1.49 1.09 -0.60 -1.11 0.00 0.00 177.39 175.39 2ctk s ARG 95 N -5.88 3.62 0.25 1.96 6.06 -0.75 -4.98 118.95 119.22 2ctk s ARG 95 Ca -0.13 0.54 -0.30 0.00 -2.50 0.00 0.00 55.73 53.34 2ctk s ARG 95 Cb 0.19 -3.97 -0.14 0.00 0.06 0.00 0.00 34.95 31.09 2ctk s ARG 95 CO 0.68 -1.53 1.15 0.45 -2.50 0.00 0.00 175.30 173.54 2ctk n SER 96 N 8.28 1.68 -3.70 -2.12 2.88 -1.25 -4.93 113.62 114.47 2ctk n SER 96 Ca 0.12 1.16 -0.14 0.00 -1.33 0.00 0.00 58.87 58.68 2ctk n SER 96 Cb 0.49 -1.31 -0.09 0.00 -0.75 0.00 0.00 64.21 62.55 2ctk n SER 96 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2ctk s PHE 97 N -0.63 -0.49 -0.02 0.66 2.19 -1.26 -5.13 117.98 113.29 2ctk s PHE 97 Ca 0.64 1.12 0.01 0.00 0.33 0.00 0.00 56.93 59.03 2ctk s PHE 97 Cb -0.73 0.19 0.01 0.00 -1.31 0.00 0.00 43.02 41.19 2ctk s PHE 97 CO 0.56 -0.32 -0.03 0.21 1.83 0.00 0.00 175.22 177.47 2ctk s LYS 98 N -0.16 0.47 0.29 10.12 2.20 -1.26 -5.15 119.74 126.24 2ctk s LYS 98 Ca -0.03 -0.09 0.04 0.00 -0.36 0.00 0.00 55.97 55.52 2ctk s LYS 98 Cb -0.03 -0.51 -0.04 0.00 -1.51 0.00 0.00 37.83 35.74 2ctk s LYS 98 CO 0.02 -0.00 0.20 0.45 -0.36 0.00 0.00 175.35 175.66 2ctk s SER 99 N 0.42 1.21 -0.55 1.43 0.15 -1.26 -5.10 113.70 110.00 2ctk s SER 99 Ca -0.05 -1.59 0.06 0.00 0.70 0.00 0.00 55.95 55.07 2ctk s SER 99 Cb -0.08 0.46 0.32 0.00 -1.71 0.00 0.00 66.02 65.00 2ctk s SER 99 CO -0.00 -0.95 0.85 0.61 1.20 0.00 0.00 173.24 174.95 2ctk n GLY 100 N -0.51 5.03 3.77 9.45 0.00 -1.26 -5.09 105.19 116.58 2ctk n GLY 100 Ca 0.04 -2.57 -0.33 0.00 0.00 0.00 0.00 46.02 43.15 2ctk n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctk s PRO 101 N -3.00 2.88 0.04 1.61 0.04 -1.26 -5.07 135.00 130.24 2ctk s PRO 101 Ca 0.45 1.42 0.06 0.00 0.04 0.00 0.00 61.00 62.97 2ctk s PRO 101 Cb 0.26 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.81 2ctk s PRO 101 CO -0.10 -1.19 -0.17 -1.54 0.04 0.00 0.00 177.00 174.04 2ctk s SER 102 N -2.46 2.04 -1.00 6.66 1.04 -1.26 -5.08 113.70 113.64 2ctk s SER 102 Ca 0.68 -0.48 -0.22 0.00 0.48 0.00 0.00 55.95 56.41 2ctk s SER 102 Cb -0.21 -0.16 0.06 0.00 0.10 0.00 0.00 66.02 65.82 2ctk s SER 102 CO 0.39 0.10 1.39 -0.55 0.98 0.00 0.00 173.24 175.56 2ctk s SER 103 N -1.12 6.51 0.00 7.02 0.15 -1.26 -5.35 113.70 119.66 2ctk s SER 103 Ca 0.05 -1.52 0.01 0.00 0.70 0.00 0.00 55.95 55.19 2ctk s SER 103 Cb -0.08 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.70 2ctk s SER 103 CO 0.01 -1.45 0.54 0.61 1.20 0.00 0.00 173.24 174.15