#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctk s SER 2 N 0.00 6.35 1.12 1.61 0.15 -1.26 -5.05 113.70 116.63 2ctk s SER 2 Ca 0.00 -0.27 -0.16 0.00 0.70 0.00 0.00 55.95 56.22 2ctk s SER 2 Cb 0.00 -2.34 0.21 0.00 -1.71 0.00 0.00 66.02 62.18 2ctk s SER 2 CO 0.00 -0.83 0.43 -1.54 1.20 0.00 0.00 173.24 172.50 2ctk n SER 3 N 6.42 -3.16 -2.68 5.45 3.41 -1.26 -5.01 113.62 116.79 2ctk n SER 3 Ca -0.00 -0.46 -0.05 0.00 -0.26 0.00 0.00 58.87 58.10 2ctk n SER 3 Cb 0.48 -0.85 0.06 0.00 -0.26 0.00 0.00 64.21 63.64 2ctk n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ctk n GLY 4 N 2.24 -0.21 3.13 5.00 0.00 -1.26 -5.15 105.19 108.93 2ctk n GLY 4 Ca 0.07 0.13 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 2ctk n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctk s SER 5 N -0.56 1.40 -0.13 1.61 1.04 -1.26 -5.05 113.70 110.74 2ctk s SER 5 Ca 0.13 -0.54 -0.02 0.00 0.48 0.00 0.00 55.95 56.00 2ctk s SER 5 Cb 0.22 -0.04 -0.24 0.00 0.10 0.00 0.00 66.02 66.06 2ctk s SER 5 CO -0.07 -0.08 0.31 -1.54 0.98 0.00 0.00 173.24 172.84 2ctk n SER 6 N 1.53 1.87 -2.03 7.02 3.41 -1.26 -5.09 113.62 119.07 2ctk n SER 6 Ca -0.21 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2ctk n SER 6 Cb 0.55 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 2ctk n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ctk n GLY 7 N 1.97 -5.36 3.16 5.00 0.00 -1.26 -5.08 105.19 103.61 2ctk n GLY 7 Ca -0.32 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.44 2ctk n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ctk s LYS 8 N -0.80 0.81 0.07 1.61 -2.85 -1.26 -5.18 119.74 112.14 2ctk s LYS 8 Ca 0.00 -1.23 -0.26 0.00 -1.00 0.00 0.00 55.97 53.48 2ctk s LYS 8 Cb 0.00 0.26 0.08 0.00 -2.06 0.00 0.00 37.83 36.11 2ctk s LYS 8 CO 0.00 -0.22 0.69 -1.83 0.10 0.00 0.00 175.35 174.09 2ctk s GLU 9 N -3.95 1.11 -0.40 1.78 -1.05 -1.26 -5.13 118.70 109.80 2ctk s GLU 9 Ca 0.13 -0.26 0.02 0.00 -0.15 0.00 0.00 54.97 54.71 2ctk s GLU 9 Cb 0.07 0.51 0.12 0.00 -0.44 0.00 0.00 34.13 34.39 2ctk s GLU 9 CO -0.06 -0.45 0.16 0.00 0.95 0.00 0.00 175.26 175.86 2ctk s ALA 10 N -2.97 2.41 -0.29 -0.84 0.00 -1.26 -5.06 121.76 113.75 2ctk s ALA 10 Ca -0.01 -2.48 -0.15 0.00 0.00 0.00 0.00 51.96 49.32 2ctk s ALA 10 Cb -0.01 -1.90 0.15 0.00 0.00 0.00 0.00 23.12 21.37 2ctk s ALA 10 CO -0.07 -1.86 0.95 -1.17 0.00 0.00 0.00 175.76 173.61 2ctk s LEU 11 N 0.69 -0.60 -0.15 0.00 0.20 -1.26 -5.15 118.68 112.42 2ctk s LEU 11 Ca 0.14 0.88 -0.01 0.00 0.69 0.00 0.00 54.13 55.83 2ctk s LEU 11 Cb -0.22 1.76 0.04 0.00 -0.43 0.00 0.00 46.19 47.34 2ctk s LEU 11 CO -0.08 -0.13 -0.06 -0.70 -0.29 0.00 0.00 176.35 175.09 2ctk s GLU 12 N 1.96 1.44 -0.16 1.98 2.56 -1.26 -4.96 118.70 120.26 2ctk s GLU 12 Ca -0.06 -0.41 -0.05 0.00 0.00 0.00 0.00 54.97 54.45 2ctk s GLU 12 Cb -0.05 -1.84 0.08 0.00 2.00 0.00 0.00 34.13 34.31 2ctk s GLU 12 CO -0.17 -0.38 0.30 0.00 -0.56 0.00 0.00 175.26 174.45 2ctk s ALA 13 N 1.67 -0.68 0.49 6.30 0.00 -1.26 -5.02 121.76 123.27 2ctk s ALA 13 Ca 0.02 0.98 0.23 0.00 0.00 0.00 0.00 51.96 53.19 2ctk s ALA 13 Cb -0.14 -1.15 1.43 0.00 0.00 0.00 0.00 23.12 23.26 2ctk s ALA 13 CO -0.08 -0.75 2.12 -0.07 0.00 0.00 0.00 175.76 176.98 2ctk h LEU 14 N 8.26 0.00 -9.44 0.00 4.07 -2.05 -3.41 115.31 112.74 2ctk h LEU 14 Ca -0.15 0.00 -0.62 0.00 0.08 0.00 0.00 57.88 57.19 2ctk h LEU 14 Cb 1.12 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.77 2ctk h LEU 14 CO 0.15 0.08 -0.40 0.54 -1.08 0.00 0.00 178.44 177.73 2ctk s VAL 15 N -4.58 5.36 1.10 1.22 0.11 -1.26 -5.05 120.40 117.30 2ctk s VAL 15 Ca -0.04 0.39 -0.18 0.00 -2.93 0.00 0.00 61.98 59.21 2ctk s VAL 15 Cb 0.15 -3.53 0.27 0.00 -1.53 0.00 0.00 36.38 31.74 2ctk s VAL 15 CO 0.61 0.50 0.98 -0.81 -3.33 0.00 0.00 175.10 173.05 2ctk n PRO 16 N 2.87 -2.93 -3.84 1.54 -0.04 -1.26 -4.85 135.00 126.48 2ctk n PRO 16 Ca -0.16 -1.56 -0.11 0.00 -0.04 0.00 0.00 63.50 61.63 2ctk n PRO 16 Cb 0.53 -1.46 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 2ctk n PRO 16 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2ctk s VAL 17 N -2.77 0.10 -0.12 0.52 -7.23 0.03 -4.83 120.40 106.11 2ctk s VAL 17 Ca 0.63 -0.80 -0.14 0.00 -1.81 0.00 0.00 61.98 59.86 2ctk s VAL 17 Cb -0.06 -0.77 -0.05 0.00 0.56 0.00 0.00 36.38 36.06 2ctk s VAL 17 CO 0.49 -0.44 0.33 -0.89 -0.31 0.00 0.00 175.10 174.28 2ctk s THR 18 N -2.15 5.25 0.53 5.32 2.01 -1.26 -1.13 115.64 124.21 2ctk s THR 18 Ca -0.08 0.64 0.03 0.00 0.31 0.00 0.00 61.69 62.59 2ctk s THR 18 Cb -0.03 -3.66 0.03 0.00 0.01 0.00 0.00 72.50 68.85 2ctk s THR 18 CO -0.02 0.43 0.28 2.30 -0.69 0.00 0.00 174.62 176.92 2ctk n ILE 19 N 3.16 0.00 -4.21 1.82 -5.35 0.23 -4.90 119.36 110.10 2ctk n ILE 19 Ca -0.12 -2.21 -0.23 0.00 -0.27 0.00 0.00 62.75 59.91 2ctk n ILE 19 Cb 0.52 0.13 -0.17 0.00 -1.74 0.00 0.00 39.64 38.38 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 -4.09 1.27 -0.03 6.28 2.02 -1.26 -2.71 118.70 120.19 2ctk s GLU 20 Ca 0.21 -0.23 0.07 0.00 0.02 0.00 0.00 54.97 55.05 2ctk s GLU 20 Cb -0.02 -1.22 -0.02 0.00 0.10 0.00 0.00 34.13 32.97 2ctk s GLU 20 CO 0.13 -0.11 -0.24 0.08 0.02 0.00 0.00 175.26 175.14 2ctk s VAL 21 N 1.12 2.18 -0.58 2.63 1.01 0.29 -4.95 120.40 122.09 2ctk s VAL 21 Ca -0.07 -1.05 -0.26 0.00 0.00 0.00 0.00 61.98 60.60 2ctk s VAL 21 Cb -0.14 -1.77 0.04 0.00 0.00 0.00 0.00 36.38 34.51 2ctk s VAL 21 CO -0.01 0.58 1.06 -1.61 0.00 0.00 0.00 175.10 175.12 2ctk s GLU 22 N -0.55 3.38 -0.05 2.72 2.02 -1.26 -1.20 118.70 123.76 2ctk s GLU 22 Ca 0.08 -0.10 -0.02 0.00 0.02 0.00 0.00 54.97 54.95 2ctk s GLU 22 Cb -0.11 -4.06 0.03 0.00 0.10 0.00 0.00 34.13 30.10 2ctk s GLU 22 CO -0.00 -1.62 0.10 0.08 0.02 0.00 0.00 175.26 173.84 2ctk s VAL 23 N 4.45 -0.05 0.18 2.63 1.01 0.10 -4.97 120.40 123.74 2ctk s VAL 23 Ca 0.35 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 2ctk s VAL 23 Cb -0.11 -0.17 -0.08 0.00 0.00 0.00 0.00 36.38 36.02 2ctk s VAL 23 CO 0.21 0.07 1.32 -2.16 0.00 0.00 0.00 175.10 174.54 2ctk s PRO 24 N 1.04 4.38 0.50 2.72 0.04 -1.26 -3.94 135.00 138.48 2ctk s PRO 24 Ca -0.08 2.04 0.31 0.00 0.04 0.00 0.00 61.00 63.31 2ctk s PRO 24 Cb -0.11 -3.21 1.69 0.00 0.04 0.00 0.00 34.50 32.91 2ctk s PRO 24 CO -0.04 -0.28 1.94 0.35 0.04 0.00 0.00 177.00 179.01 2ctk h PHE 25 N 5.67 0.00 0.00 0.56 3.04 -1.88 0.29 116.94 124.62 2ctk h PHE 25 Ca -0.44 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.51 2ctk h PHE 25 Cb 1.21 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.72 2ctk h PHE 25 CO 0.63 0.00 0.00 -0.44 -2.02 0.00 0.00 178.31 176.48 2ctk h ASP 26 N 0.00 0.00 0.00 0.41 3.32 -1.95 -2.73 116.42 115.47 2ctk h ASP 26 Ca 0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 2ctk h ASP 26 Cb 0.14 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.64 2ctk h ASP 26 CO 0.00 0.00 -2.23 0.18 -1.72 0.00 0.00 179.24 175.47 2ctk n LEU 27 N -2.91 0.00 -0.36 1.55 4.77 0.08 -4.57 117.00 115.56 2ctk n LEU 27 Ca -0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.90 2ctk n LEU 27 Cb 0.21 0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 41.63 2ctk n LEU 27 CO 0.23 0.38 0.45 1.41 -1.33 0.00 0.00 177.39 178.53 2ctk n HIS 28 N -2.61 -0.27 -0.34 -1.77 8.25 -1.03 0.19 115.22 117.65 2ctk n HIS 28 Ca -0.26 1.10 0.24 0.00 -0.26 0.00 0.00 57.72 58.54 2ctk n HIS 28 Cb 1.01 -0.65 0.51 0.00 1.12 0.00 0.00 29.99 31.98 2ctk n HIS 28 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 2ctk h ARG 29 N 0.00 0.36 0.00 -0.41 0.11 -1.81 0.59 114.38 113.23 2ctk h ARG 29 Ca 0.19 -0.02 -0.20 0.00 0.10 0.00 0.00 59.98 60.05 2ctk h ARG 29 Cb 0.41 -0.08 -0.03 0.00 1.11 0.00 0.00 29.97 31.38 2ctk h ARG 29 CO -0.85 0.24 -1.06 1.88 0.10 0.00 0.00 179.97 180.28 2ctk h TYR 30 N 0.38 0.00 0.07 4.08 0.05 0.18 -2.74 116.97 118.99 2ctk h TYR 30 Ca 0.64 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.41 2ctk h TYR 30 Cb 1.61 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.35 2ctk h TYR 30 CO -0.00 0.87 -0.03 0.28 -1.05 0.00 0.00 178.16 178.22 2ctk h VAL 31 N 0.00 1.21 0.28 -2.88 2.07 0.53 -3.34 116.25 114.11 2ctk h VAL 31 Ca -0.07 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 2ctk h VAL 31 Cb 1.72 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 2ctk h VAL 31 CO 0.10 0.27 -0.13 0.40 0.02 0.00 0.00 177.57 178.23 2ctk h ILE 32 N -0.61 0.75 0.00 4.57 2.04 -0.81 -3.06 117.51 120.39 2ctk h ILE 32 Ca -0.01 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.23 2ctk h ILE 32 Cb 0.51 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 2ctk h ILE 32 CO 0.02 0.12 0.00 0.61 0.00 0.00 0.00 178.15 178.90 2ctk n GLY 33 N -0.29 -2.58 0.19 5.37 0.00 -1.03 -2.65 105.19 104.19 2ctk n GLY 33 Ca -0.09 -2.08 -0.16 0.00 0.00 0.00 0.00 46.02 43.69 2ctk n GLY 33 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2ctk h GLN 34 N 0.00 0.61 -1.33 1.61 5.75 -1.94 -3.35 115.11 116.46 2ctk h GLN 34 Ca 0.00 -0.49 -0.53 0.00 -0.15 0.00 0.00 58.65 57.48 2ctk h GLN 34 Cb 0.00 0.10 -0.42 0.00 1.07 0.00 0.00 27.48 28.23 2ctk h GLN 34 CO 0.00 1.11 -0.84 1.63 -2.65 0.00 0.00 178.83 178.07 2ctk n LYS 35 N -4.15 2.92 -3.93 1.69 5.02 -1.26 -4.96 118.16 113.49 2ctk n LYS 35 Ca -0.08 -4.20 -0.27 0.00 -2.02 0.00 0.00 58.31 51.74 2ctk n LYS 35 Cb 0.63 -2.02 -0.07 0.00 -0.02 0.00 0.00 35.03 33.55 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 -0.41 -0.16 0.13 0.72 0.00 -1.22 -4.79 105.19 99.46 2ctk n GLY 36 Ca 0.32 0.12 -0.22 0.00 0.00 0.00 0.00 46.02 46.24 2ctk n GLY 36 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ctk n SER 37 N -2.09 1.99 -0.21 1.61 7.64 -1.09 -3.71 113.62 117.76 2ctk n SER 37 Ca -0.15 0.08 0.01 0.00 1.01 0.00 0.00 58.87 59.82 2ctk n SER 37 Cb 0.49 -0.63 0.09 0.00 -1.01 0.00 0.00 64.21 63.15 2ctk n SER 37 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2ctk h GLY 38 N 0.85 0.58 0.43 0.23 0.00 -1.73 -1.79 103.07 101.65 2ctk h GLY 38 Ca -0.57 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 2ctk h GLY 38 CO -0.16 -0.23 -0.02 -2.22 0.00 0.00 0.00 176.54 173.91 2ctk h ILE 39 N 0.05 1.29 -1.00 2.60 2.04 -1.65 -3.23 117.51 117.62 2ctk h ILE 39 Ca 0.32 -1.25 0.37 0.00 1.00 0.00 0.00 64.86 65.31 2ctk h ILE 39 Cb 0.52 2.09 -0.18 0.00 -0.74 0.00 0.00 36.82 38.52 2ctk h ILE 39 CO -0.61 0.31 0.39 0.03 0.00 0.00 0.00 178.15 178.27 2ctk h ARG 40 N -0.64 0.03 -0.63 2.37 3.08 -1.51 0.27 114.38 117.35 2ctk h ARG 40 Ca -0.01 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.15 2ctk h ARG 40 Cb 0.55 -0.01 -0.12 0.00 0.08 0.00 0.00 29.97 30.48 2ctk h ARG 40 CO 0.01 0.02 -0.33 -0.22 -1.07 0.00 0.00 179.97 178.38 2ctk h LYS 41 N 0.03 -0.14 -0.28 0.04 1.63 -1.35 0.33 116.57 116.82 2ctk h LYS 41 Ca 0.77 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 60.52 2ctk h LYS 41 Cb 1.91 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 33.56 2ctk h LYS 41 CO -0.80 -0.09 -0.04 0.52 -3.45 0.00 0.00 179.45 175.59 2ctk h MET 42 N -0.14 0.53 -0.50 1.90 2.86 -0.65 -2.37 114.93 116.55 2ctk h MET 42 Ca 0.25 -0.19 0.13 0.00 -2.06 0.00 0.00 59.70 57.83 2ctk h MET 42 Cb 0.55 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 2ctk h MET 42 CO -0.71 0.71 0.36 0.52 1.06 0.00 0.00 176.91 178.85 2ctk h MET 43 N 0.30 0.06 0.00 1.72 2.86 -0.61 0.52 114.93 119.77 2ctk h MET 43 Ca 0.08 -0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 2ctk h MET 43 Cb 0.49 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2ctk h MET 43 CO 0.02 0.04 -0.58 -0.44 1.06 0.00 0.00 176.91 177.01 2ctk h ASP 44 N 0.06 0.00 0.00 1.22 5.19 -0.15 -1.94 116.42 120.80 2ctk h ASP 44 Ca 0.24 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 2ctk h ASP 44 Cb 0.87 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.38 2ctk h ASP 44 CO -0.02 0.39 -0.34 -0.08 -3.12 0.00 0.00 179.24 176.07 2ctk h GLU 45 N 0.00 0.00 0.00 3.56 4.57 -0.08 -3.37 114.58 119.26 2ctk h GLU 45 Ca -0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2ctk h GLU 45 Cb 1.32 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 2ctk h GLU 45 CO 0.05 0.00 0.00 1.19 -1.18 0.00 0.00 179.01 179.07 2ctk n PHE 46 N -4.24 0.00 -3.86 0.92 3.72 0.15 -4.89 117.46 109.25 2ctk n PHE 46 Ca -0.05 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.11 2ctk n PHE 46 Cb 0.18 -0.17 -0.00 0.00 -0.94 0.00 0.00 39.48 38.55 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 -1.17 -3.70 -3.46 -1.08 1.02 -0.76 -4.88 120.64 106.62 2ctk n GLU 47 Ca 0.14 0.47 -0.16 0.00 -0.02 0.00 0.00 57.16 57.59 2ctk n GLU 47 Cb 0.14 -4.71 -0.04 0.00 -0.02 0.00 0.00 31.44 26.81 2ctk n GLU 47 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2ctk n VAL 48 N -4.35 0.00 -4.18 2.62 0.24 -1.06 -4.95 118.33 106.65 2ctk n VAL 48 Ca -0.30 -1.42 -0.28 0.00 -2.04 0.00 0.00 64.34 60.29 2ctk n VAL 48 Cb 0.68 0.47 -0.17 0.00 -1.47 0.00 0.00 33.84 33.36 2ctk n VAL 48 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2ctk s ASN 49 N -2.52 2.43 -0.12 -1.34 -0.87 -0.64 -4.58 114.94 107.29 2ctk s ASN 49 Ca 0.10 -0.41 -0.02 0.00 -1.57 0.00 0.00 52.86 50.96 2ctk s ASN 49 Cb 0.01 -1.05 -0.03 0.00 -0.02 0.00 0.00 41.25 40.16 2ctk s ASN 49 CO 0.07 -0.04 -0.06 -0.63 -2.57 0.00 0.00 177.10 173.88 2ctk s ILE 50 N 1.31 3.75 0.02 0.60 1.01 -1.26 -0.10 121.20 126.52 2ctk s ILE 50 Ca -0.00 -0.43 0.07 0.00 0.00 0.00 0.00 60.65 60.29 2ctk s ILE 50 Cb -0.14 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.72 2ctk s ILE 50 CO -0.06 0.54 -0.22 -1.00 0.00 0.00 0.00 174.94 174.20 2ctk s HIS 51 N -0.13 1.96 -0.03 3.97 3.76 0.09 -5.02 115.29 119.89 2ctk s HIS 51 Ca 0.02 -0.38 0.06 0.00 -0.15 0.00 0.00 55.06 54.62 2ctk s HIS 51 Cb -0.13 -1.21 -0.01 0.00 1.11 0.00 0.00 32.58 32.33 2ctk s HIS 51 CO 0.03 0.04 -0.22 0.08 -0.85 0.00 0.00 174.74 173.81 2ctk s VAL 52 N -0.67 1.78 0.21 -0.90 1.01 -1.26 -2.45 120.40 118.12 2ctk s VAL 52 Ca 0.09 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 2ctk s VAL 52 Cb -0.09 -1.48 -0.09 0.00 0.00 0.00 0.00 36.38 34.72 2ctk s VAL 52 CO 0.01 0.50 1.30 -2.16 0.00 0.00 0.00 175.10 174.74 2ctk s PRO 53 N -0.40 4.40 1.16 2.72 0.04 -1.26 -5.01 135.00 136.64 2ctk s PRO 53 Ca 0.05 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 63.01 2ctk s PRO 53 Cb -0.10 -3.19 0.27 0.00 0.04 0.00 0.00 34.50 31.52 2ctk s PRO 53 CO 0.00 -0.23 0.97 0.00 0.04 0.00 0.00 177.00 177.79 2ctk n ALA 54 N 2.47 -2.82 0.20 8.56 0.00 -1.26 -4.80 120.51 122.85 2ctk n ALA 54 Ca 0.05 -1.14 0.06 0.00 0.00 0.00 0.00 53.44 52.41 2ctk n ALA 54 Cb 0.43 -1.99 0.40 0.00 0.00 0.00 0.00 19.45 18.29 2ctk n ALA 54 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ctk h PRO 55 N -2.60 0.00 -0.25 0.00 0.13 -1.97 -2.95 132.00 124.35 2ctk h PRO 55 Ca -0.60 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.43 2ctk h PRO 55 Cb 1.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 2ctk h PRO 55 CO 0.48 0.34 -0.27 1.05 -0.23 0.00 0.00 178.00 179.37 2ctk h GLU 56 N 0.00 0.49 0.00 0.86 4.11 -2.02 -2.76 114.58 115.26 2ctk h GLU 56 Ca -0.00 -0.19 -0.12 0.00 0.07 0.00 0.00 59.36 59.11 2ctk h GLU 56 Cb 0.75 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 2ctk h GLU 56 CO 0.04 0.72 -0.59 -0.07 0.07 0.00 0.00 179.01 179.19 2ctk h LEU 57 N 0.43 0.00 -2.36 3.06 3.38 -1.87 -3.47 115.31 114.48 2ctk h LEU 57 Ca 0.06 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.61 2ctk h LEU 57 Cb 0.70 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.51 2ctk h LEU 57 CO 0.05 0.59 -0.88 0.00 0.09 0.00 0.00 178.44 178.29 2ctk n GLN 58 N -3.54 -3.11 -4.17 1.13 6.02 -1.04 -4.99 117.38 107.67 2ctk n GLN 58 Ca -0.00 0.55 -0.30 0.00 -0.01 0.00 0.00 57.00 57.24 2ctk n GLN 58 Cb 0.66 -4.77 -0.09 0.00 1.02 0.00 0.00 30.24 27.06 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 -3.97 4.75 -0.23 1.08 0.15 -1.26 -5.03 113.70 109.20 2ctk s SER 59 Ca 0.21 -0.28 0.13 0.00 0.70 0.00 0.00 55.95 56.70 2ctk s SER 59 Cb -0.06 -1.03 0.46 0.00 -1.71 0.00 0.00 66.02 63.67 2ctk s SER 59 CO 0.83 0.17 1.36 0.47 1.20 0.00 0.00 173.24 177.27 2ctk n ASP 60 N 0.57 2.63 -4.06 5.45 8.00 -1.26 -4.41 116.55 123.46 2ctk n ASP 60 Ca -0.12 -3.52 -0.32 0.00 0.71 0.00 0.00 54.79 51.55 2ctk n ASP 60 Cb 0.52 -0.56 -0.16 0.00 -0.02 0.00 0.00 41.12 40.90 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 -3.09 1.85 -0.04 0.53 -1.09 -1.25 -0.72 121.20 117.37 2ctk s ILE 61 Ca 0.41 -0.94 -0.13 0.00 -2.23 0.00 0.00 60.65 57.75 2ctk s ILE 61 Cb 0.36 -1.77 -0.05 0.00 -1.58 0.00 0.00 42.46 39.43 2ctk s ILE 61 CO 0.01 0.38 0.34 -0.63 -1.23 0.00 0.00 174.94 173.81 2ctk s ILE 62 N 1.35 5.16 -0.16 2.92 1.01 -0.34 -4.59 121.20 126.54 2ctk s ILE 62 Ca 0.02 0.68 -0.06 0.00 0.00 0.00 0.00 60.65 61.30 2ctk s ILE 62 Cb -0.14 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 2ctk s ILE 62 CO -0.10 0.56 0.04 0.00 0.00 0.00 0.00 174.94 175.43 2ctk s ALA 63 N -0.86 3.32 -0.14 9.38 0.00 -1.02 -0.54 121.76 131.89 2ctk s ALA 63 Ca 0.21 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.43 2ctk s ALA 63 Cb -0.15 -1.79 0.02 0.00 0.00 0.00 0.00 23.12 21.19 2ctk s ALA 63 CO 0.10 0.26 -0.18 0.42 0.00 0.00 0.00 175.76 176.36 2ctk s ILE 64 N 0.15 1.76 -0.16 0.00 1.01 -1.10 -0.73 121.20 122.14 2ctk s ILE 64 Ca 0.03 -0.78 -0.10 0.00 0.00 0.00 0.00 60.65 59.80 2ctk s ILE 64 Cb -0.13 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 2ctk s ILE 64 CO 0.01 0.49 0.17 -0.89 0.00 0.00 0.00 174.94 174.73 2ctk s THR 65 N 1.10 5.40 0.00 2.92 2.01 0.86 -0.60 115.64 127.33 2ctk s THR 65 Ca -0.02 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.26 2ctk s THR 65 Cb -0.14 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 68.88 2ctk s THR 65 CO -0.06 0.48 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 2ctk n GLY 66 N 3.01 1.68 3.77 4.40 0.00 -0.28 -1.63 105.19 116.14 2ctk n GLY 66 Ca -0.16 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 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 4.33 0.29 0.99 1.43 -1.26 -0.79 118.68 123.67 2ctk s LEU 67 Ca 0.00 2.88 0.07 0.00 -1.03 0.00 0.00 54.13 56.05 2ctk s LEU 67 Cb 0.00 -3.71 0.83 0.00 0.03 0.00 0.00 46.19 43.34 2ctk s LEU 67 CO 0.00 -0.78 1.38 0.00 0.23 0.00 0.00 176.35 177.17 2ctk n ALA 68 N 0.48 0.59 0.09 4.21 0.00 -1.26 0.81 120.51 125.43 2ctk n ALA 68 Ca 0.01 0.93 -0.13 0.00 0.00 0.00 0.00 53.44 54.25 2ctk n ALA 68 Cb 0.41 -0.75 -0.08 0.00 0.00 0.00 0.00 19.45 19.03 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 1.75 -0.16 0.09 0.00 0.00 -1.93 -2.63 119.26 116.40 2ctk h ALA 69 Ca 0.60 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.45 2ctk h ALA 69 Cb 1.37 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2ctk h ALA 69 CO -0.78 -0.57 -0.05 -0.91 0.00 0.00 0.00 179.25 176.95 2ctk h ASN 70 N -0.19 -0.11 -1.02 0.00 2.35 0.06 -2.71 115.58 113.96 2ctk h ASN 70 Ca -0.02 -0.09 0.32 0.00 -0.55 0.00 0.00 56.30 55.96 2ctk h ASN 70 Cb 0.15 0.03 -0.14 0.00 0.05 0.00 0.00 38.32 38.41 2ctk h ASN 70 CO 0.03 0.02 0.60 -0.07 -1.65 0.00 0.00 177.43 176.35 2ctk h LEU 71 N -0.23 0.52 0.05 1.61 3.38 -0.63 0.23 115.31 120.23 2ctk h LEU 71 Ca -0.01 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2ctk h LEU 71 Cb 0.19 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2ctk h LEU 71 CO 0.02 -0.09 -0.05 0.44 0.09 0.00 0.00 178.44 178.85 2ctk h ASP 72 N 0.35 -0.13 0.05 -0.43 5.19 -1.13 0.51 116.42 120.83 2ctk h ASP 72 Ca 0.72 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 57.14 2ctk h ASP 72 Cb 1.66 0.05 0.00 0.00 0.18 0.00 0.00 39.33 41.22 2ctk h ASP 72 CO -0.56 -0.08 -0.03 0.03 -3.12 0.00 0.00 179.24 175.49 2ctk h ARG 73 N -0.11 -0.07 0.79 3.56 3.08 -0.62 -1.87 114.38 119.13 2ctk h ARG 73 Ca 0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 2ctk h ARG 73 Cb 0.11 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.18 2ctk h ARG 73 CO -0.02 0.16 -0.38 0.00 -1.07 0.00 0.00 179.97 178.67 2ctk h ALA 74 N 0.64 -1.28 -1.05 0.04 0.00 -0.87 -2.54 119.26 114.20 2ctk h ALA 74 Ca -0.01 -0.23 0.31 0.00 0.00 0.00 0.00 54.91 54.98 2ctk h ALA 74 Cb 0.26 0.41 -0.13 0.00 0.00 0.00 0.00 17.79 18.33 2ctk h ALA 74 CO 0.01 -1.20 0.63 -0.22 0.00 0.00 0.00 179.25 178.48 2ctk h LYS 75 N -1.06 0.36 -0.95 0.00 3.64 -0.06 0.54 116.57 119.04 2ctk h LYS 75 Ca -0.11 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2ctk h LYS 75 Cb 0.81 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.50 2ctk h LYS 75 CO 0.18 0.24 0.57 0.00 -2.27 0.00 0.00 179.45 178.17 2ctk h ALA 76 N 1.74 1.23 0.33 5.00 0.00 -1.08 -2.37 119.26 124.12 2ctk h ALA 76 Ca 0.70 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.49 2ctk h ALA 76 Cb 1.65 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2ctk h ALA 76 CO -0.49 0.66 -0.16 0.78 0.00 0.00 0.00 179.25 180.05 2ctk h GLY 77 N 1.30 -0.47 -0.28 0.00 0.00 0.48 -3.08 103.07 101.03 2ctk h GLY 77 Ca 0.34 0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.93 2ctk h GLY 77 CO -0.06 -0.17 -0.33 -2.00 0.00 0.00 0.00 176.54 173.97 2ctk h LEU 78 N -0.89 -1.13 -0.33 3.11 5.85 -1.35 -0.85 115.31 119.72 2ctk h LEU 78 Ca -0.05 0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.92 2ctk h LEU 78 Cb 0.53 0.54 -0.07 0.00 0.37 0.00 0.00 40.66 42.03 2ctk h LEU 78 CO 0.07 -0.31 -0.47 -0.07 -0.34 0.00 0.00 178.44 177.32 2ctk h LEU 79 N -0.21 -1.57 -0.64 2.25 3.38 -1.51 -0.71 115.31 116.31 2ctk h LEU 79 Ca 0.20 0.20 0.13 0.00 0.09 0.00 0.00 57.88 58.50 2ctk h LEU 79 Cb 0.54 0.64 -0.10 0.00 0.09 0.00 0.00 40.66 41.83 2ctk h LEU 79 CO -0.60 -0.34 0.07 -0.33 0.09 0.00 0.00 178.44 177.32 2ctk h GLU 80 N -0.34 0.17 -0.91 1.13 5.08 -1.30 0.42 114.58 118.84 2ctk h GLU 80 Ca 0.06 -0.01 0.23 0.00 -1.00 0.00 0.00 59.36 58.64 2ctk h GLU 80 Cb 0.50 -0.04 -0.13 0.00 0.50 0.00 0.00 28.75 29.59 2ctk h GLU 80 CO -0.50 0.12 0.40 -0.09 -1.00 0.00 0.00 179.01 177.94 2ctk h ARG 81 N 0.18 0.38 -0.06 2.33 9.65 0.26 0.50 114.38 127.60 2ctk h ARG 81 Ca 0.34 -0.02 -0.18 0.00 -1.10 0.00 0.00 59.98 59.02 2ctk h ARG 81 Cb 0.55 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 2ctk h ARG 81 CO -0.50 0.25 -0.74 0.28 2.80 0.00 0.00 179.97 182.07 2ctk h VAL 82 N 0.39 1.39 -0.11 0.20 2.07 -0.30 0.14 116.25 120.04 2ctk h VAL 82 Ca 0.57 -2.18 -0.13 0.00 0.82 0.00 0.00 66.70 65.79 2ctk h VAL 82 Cb 1.11 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 2ctk h VAL 82 CO -0.54 0.65 -0.48 0.11 0.02 0.00 0.00 177.57 177.33 2ctk h LYS 83 N 0.24 0.28 0.00 1.57 1.57 0.62 -1.66 116.57 119.20 2ctk h LYS 83 Ca -0.03 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.49 2ctk h LYS 83 Cb 1.31 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 2ctk h LYS 83 CO 0.12 0.71 -0.62 1.49 -0.57 0.00 0.00 179.45 180.58 2ctk h GLU 84 N 0.23 0.00 -0.30 3.15 4.57 -0.18 -3.30 114.58 118.75 2ctk h GLU 84 Ca 0.01 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.25 2ctk h GLU 84 Cb 0.94 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.48 2ctk h GLU 84 CO 0.08 0.79 -0.04 -0.07 -1.18 0.00 0.00 179.01 178.59 2ctk h LEU 85 N -1.00 -0.20 -1.46 1.64 3.38 -0.80 -0.78 115.31 116.09 2ctk h LEU 85 Ca -0.16 0.08 0.17 0.00 0.09 0.00 0.00 57.88 58.07 2ctk h LEU 85 Cb 0.98 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.82 2ctk h LEU 85 CO -0.09 -0.06 0.57 0.06 0.09 0.00 0.00 178.44 179.00 2ctk h GLN 86 N 0.04 0.47 0.00 1.13 3.07 -1.48 0.28 115.11 118.63 2ctk h GLN 86 Ca 0.15 -0.03 -0.12 0.00 0.09 0.00 0.00 58.65 58.74 2ctk h GLN 86 Cb 0.21 -0.11 -0.02 0.00 0.08 0.00 0.00 27.48 27.64 2ctk h GLN 86 CO -0.28 0.31 -0.58 0.00 0.09 0.00 0.00 178.83 178.38 2ctk h ALA 87 N 1.62 1.03 0.00 0.06 0.00 -1.24 -2.41 119.26 118.32 2ctk h ALA 87 Ca 0.44 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2ctk h ALA 87 Cb 0.97 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2ctk h ALA 87 CO -0.18 0.72 -0.00 0.93 0.00 0.00 0.00 179.25 180.72 2ctk h GLU 88 N 0.00 -0.00 -1.00 0.00 4.39 0.15 -1.51 114.58 116.60 2ctk h GLU 88 Ca -0.01 0.00 0.26 0.00 0.34 0.00 0.00 59.36 59.95 2ctk h GLU 88 Cb 1.03 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.61 2ctk h GLU 88 CO 0.07 -0.00 0.67 -0.56 -1.16 0.00 0.00 179.01 178.04 2ctk h GLN 89 N -0.73 0.27 0.15 2.33 3.07 -1.01 0.06 115.11 119.26 2ctk h GLN 89 Ca -0.00 -0.02 -0.24 0.00 0.09 0.00 0.00 58.65 58.48 2ctk h GLN 89 Cb 0.00 -0.06 0.03 0.00 0.08 0.00 0.00 27.48 27.53 2ctk h GLN 89 CO 0.00 0.18 -1.03 0.93 0.09 0.00 0.00 178.83 179.00 2ctk h GLU 90 N 0.28 0.44 -0.36 0.06 5.08 -1.55 -3.37 114.58 115.16 2ctk h GLU 90 Ca 0.53 -0.67 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 2ctk h GLU 90 Cb 1.56 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 31.00 2ctk h GLU 90 CO -0.18 1.30 -0.22 -3.47 -1.00 0.00 0.00 179.01 175.45 2ctk n ASP 91 N -3.98 -0.39 -0.34 1.42 -0.08 0.00 0.19 116.55 113.38 2ctk n ASP 91 Ca -0.14 1.01 0.21 0.00 -1.51 0.00 0.00 54.79 54.36 2ctk n ASP 91 Cb 0.90 -0.26 0.43 0.00 2.34 0.00 0.00 41.12 44.53 2ctk n ASP 91 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 2ctk h ARG 92 N 0.00 0.44 -0.29 -0.67 0.11 -1.71 0.43 114.38 112.69 2ctk h ARG 92 Ca 0.06 -0.03 -0.16 0.00 0.10 0.00 0.00 59.98 59.95 2ctk h ARG 92 Cb 0.15 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.12 2ctk h ARG 92 CO -0.34 0.29 -0.47 0.00 0.10 0.00 0.00 179.97 179.55 2ctk h ALA 93 N 1.79 0.62 0.00 0.08 0.00 0.19 -2.92 119.26 119.02 2ctk h ALA 93 Ca 0.69 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2ctk h ALA 93 Cb 1.45 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2ctk h ALA 93 CO -0.53 0.68 -0.16 -0.07 0.00 0.00 0.00 179.25 179.16 2ctk h LEU 94 N 0.62 0.00 -1.32 0.00 4.07 0.41 -3.46 115.31 115.63 2ctk h LEU 94 Ca 0.03 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 57.45 2ctk h LEU 94 Cb 1.04 0.00 -0.18 0.00 1.08 0.00 0.00 40.66 42.60 2ctk h LEU 94 CO 0.10 0.16 -0.85 0.54 -1.08 0.00 0.00 178.44 177.31 2ctk n ARG 95 N -3.63 -3.05 -3.72 1.13 1.74 -0.26 -4.91 116.66 103.97 2ctk n ARG 95 Ca -0.01 0.36 -0.08 0.00 -0.77 0.00 0.00 57.85 57.35 2ctk n ARG 95 Cb 0.29 -4.91 -0.02 0.00 -1.02 0.00 0.00 32.46 26.80 2ctk n ARG 95 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2ctk s SER 96 N -3.57 -0.33 -0.17 0.55 0.15 -1.26 -5.12 113.70 103.95 2ctk s SER 96 Ca 0.56 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.82 2ctk s SER 96 Cb -0.30 0.64 0.02 0.00 -1.71 0.00 0.00 66.02 64.67 2ctk s SER 96 CO 0.93 -1.15 -0.20 -0.36 1.20 0.00 0.00 173.24 173.65 2ctk s PHE 97 N -3.74 2.76 -0.10 3.44 0.08 -1.26 -4.97 117.98 114.19 2ctk s PHE 97 Ca 0.08 -1.56 -0.18 0.00 0.12 0.00 0.00 56.93 55.40 2ctk s PHE 97 Cb -0.04 -1.90 -0.27 0.00 -0.57 0.00 0.00 43.02 40.24 2ctk s PHE 97 CO 0.01 -0.76 0.61 1.57 -0.10 0.00 0.00 175.22 176.55 2ctk h LYS 98 N 7.80 0.23 -1.31 0.44 2.10 -2.01 -3.49 116.57 120.33 2ctk h LYS 98 Ca -0.43 -0.40 0.13 0.00 -2.00 0.00 0.00 60.65 57.96 2ctk h LYS 98 Cb 1.15 0.15 -0.30 0.00 -0.90 0.00 0.00 32.23 32.33 2ctk h LYS 98 CO 0.62 1.19 0.69 0.45 -2.00 0.00 0.00 179.45 180.39 2ctk s SER 99 N -6.98 -0.24 0.00 7.07 0.15 -1.26 -5.07 113.70 107.37 2ctk s SER 99 Ca -0.19 0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.91 2ctk s SER 99 Cb 0.04 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 2ctk s SER 99 CO 0.77 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.74 2ctk n GLY 100 N 1.89 -2.09 0.23 9.45 0.00 -1.26 -4.99 105.19 108.42 2ctk n GLY 100 Ca -0.11 0.82 -0.08 0.00 0.00 0.00 0.00 46.02 46.64 2ctk n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctk h PRO 101 N 0.00 0.61 -6.09 1.61 0.13 -2.02 -3.44 132.00 122.81 2ctk h PRO 101 Ca 0.00 -0.32 -0.59 0.00 -0.87 0.00 0.00 66.00 64.21 2ctk h PRO 101 Cb 0.00 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.10 2ctk h PRO 101 CO 0.00 0.92 -0.34 -1.12 -0.23 0.00 0.00 178.00 177.23 2ctk s SER 102 N -6.86 6.49 -0.08 1.44 0.01 -1.26 -5.10 113.70 108.34 2ctk s SER 102 Ca -0.08 0.57 0.04 0.00 1.31 0.00 0.00 55.95 57.79 2ctk s SER 102 Cb 0.12 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.27 2ctk s SER 102 CO 0.83 0.11 -0.21 -0.94 0.41 0.00 0.00 173.24 173.45 2ctk s SER 103 N -2.25 2.68 0.00 2.44 1.04 -1.26 -4.89 113.70 111.45 2ctk s SER 103 Ca 0.37 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.33 2ctk s SER 103 Cb -0.13 -1.08 0.00 0.00 0.10 0.00 0.00 66.02 64.91 2ctk s SER 103 CO 0.23 0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.21