#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 0.98 0.21 1.61 1.04 -1.26 -5.03 113.70 111.25 2ctk s SER 2 Ca 0.00 0.06 -0.08 0.00 0.48 0.00 0.00 55.95 56.41 2ctk s SER 2 Cb 0.00 0.51 0.14 0.00 0.10 0.00 0.00 66.02 66.78 2ctk s SER 2 CO 0.00 -0.30 1.77 0.77 0.98 0.00 0.00 173.24 176.46 2ctk h SER 3 N 8.30 1.07 -6.03 7.02 4.64 -2.15 -3.48 113.55 122.93 2ctk h SER 3 Ca -0.16 -0.18 -0.23 0.00 -0.47 0.00 0.00 61.79 60.75 2ctk h SER 3 Cb 1.14 -0.28 0.01 0.00 -0.31 0.00 0.00 62.40 62.96 2ctk h SER 3 CO 0.23 0.96 -0.90 0.61 -0.87 0.00 0.00 176.83 176.87 2ctk n GLY 4 N -0.85 -0.51 2.88 -0.77 0.00 -1.26 -4.97 105.19 99.72 2ctk n GLY 4 Ca 0.07 1.17 -0.30 0.00 0.00 0.00 0.00 46.02 46.96 2ctk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctk s SER 5 N -2.02 4.21 -0.22 1.61 0.15 -1.26 -5.07 113.70 111.11 2ctk s SER 5 Ca 0.31 -2.59 0.02 0.00 0.70 0.00 0.00 55.95 54.39 2ctk s SER 5 Cb -0.05 -1.40 0.04 0.00 -1.71 0.00 0.00 66.02 62.90 2ctk s SER 5 CO 0.83 -0.29 -0.15 -0.55 1.20 0.00 0.00 173.24 174.28 2ctk s SER 6 N 0.33 3.73 -0.43 5.45 0.15 -1.26 -5.02 113.70 116.66 2ctk s SER 6 Ca 0.15 -1.00 0.10 0.00 0.70 0.00 0.00 55.95 55.90 2ctk s SER 6 Cb -0.23 -1.48 0.35 0.00 -1.71 0.00 0.00 66.02 62.95 2ctk s SER 6 CO -0.04 -0.10 0.80 0.61 1.20 0.00 0.00 173.24 175.71 2ctk n GLY 7 N 4.55 4.15 3.63 9.45 0.00 -1.26 -5.09 105.19 120.62 2ctk n GLY 7 Ca -0.17 -2.00 -0.27 0.00 0.00 0.00 0.00 46.02 43.58 2ctk n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ctk s LYS 8 N -2.74 2.29 -0.30 1.61 3.01 -1.26 -5.11 119.74 117.24 2ctk s LYS 8 Ca 0.42 -1.13 -0.09 0.00 -1.01 0.00 0.00 55.97 54.15 2ctk s LYS 8 Cb 0.33 -2.30 0.18 0.00 -1.01 0.00 0.00 37.83 35.03 2ctk s LYS 8 CO -0.10 0.46 0.94 -2.00 0.51 0.00 0.00 175.35 175.16 2ctk s GLU 9 N -2.82 0.27 -0.28 1.68 2.12 -1.26 -5.13 118.70 113.28 2ctk s GLU 9 Ca 0.26 0.44 -0.02 0.00 0.36 0.00 0.00 54.97 56.01 2ctk s GLU 9 Cb -0.09 0.24 0.09 0.00 0.26 0.00 0.00 34.13 34.63 2ctk s GLU 9 CO 0.17 -0.34 0.10 0.00 -0.54 0.00 0.00 175.26 174.65 2ctk s ALA 10 N 2.93 1.18 -0.21 6.30 0.00 -1.26 -5.11 121.76 125.59 2ctk s ALA 10 Ca 0.07 -1.34 -0.15 0.00 0.00 0.00 0.00 51.96 50.55 2ctk s ALA 10 Cb -0.10 -1.48 0.06 0.00 0.00 0.00 0.00 23.12 21.60 2ctk s ALA 10 CO -0.15 -1.58 0.54 -1.17 0.00 0.00 0.00 175.76 173.39 2ctk s LEU 11 N 1.80 -0.31 -0.04 0.00 0.20 -1.26 -5.15 118.68 113.91 2ctk s LEU 11 Ca 0.08 1.14 -0.01 0.00 0.69 0.00 0.00 54.13 56.02 2ctk s LEU 11 Cb -0.17 1.82 0.03 0.00 -0.43 0.00 0.00 46.19 47.44 2ctk s LEU 11 CO -0.26 -0.20 0.03 -0.70 -0.29 0.00 0.00 176.35 174.93 2ctk s GLU 12 N 1.03 0.17 -0.09 1.98 2.12 -1.26 -4.98 118.70 117.67 2ctk s GLU 12 Ca -0.06 0.23 -0.04 0.00 0.36 0.00 0.00 54.97 55.46 2ctk s GLU 12 Cb -0.06 -0.58 0.05 0.00 0.26 0.00 0.00 34.13 33.80 2ctk s GLU 12 CO -0.09 -0.26 0.20 0.00 -0.54 0.00 0.00 175.26 174.56 2ctk s ALA 13 N 1.74 -0.35 0.14 6.30 0.00 -1.26 -5.04 121.76 123.29 2ctk s ALA 13 Ca 0.00 0.75 -0.18 0.00 0.00 0.00 0.00 51.96 52.54 2ctk s ALA 13 Cb -0.13 -0.76 0.01 0.00 0.00 0.00 0.00 23.12 22.25 2ctk s ALA 13 CO -0.03 -0.43 1.75 -0.07 0.00 0.00 0.00 175.76 176.98 2ctk h LEU 14 N 7.91 0.13 -9.70 0.00 3.38 -2.04 -3.42 115.31 111.57 2ctk h LEU 14 Ca -0.25 0.03 -0.52 0.00 0.09 0.00 0.00 57.88 57.24 2ctk h LEU 14 Cb 1.13 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 2ctk h LEU 14 CO 0.24 0.11 0.25 -0.69 0.09 0.00 0.00 178.44 178.44 2ctk s VAL 15 N -6.17 4.33 0.87 1.22 1.01 -1.26 -5.01 120.40 115.40 2ctk s VAL 15 Ca -0.13 1.85 -0.15 0.00 0.00 0.00 0.00 61.98 63.55 2ctk s VAL 15 Cb 0.11 -4.21 0.22 0.00 0.00 0.00 0.00 36.38 32.49 2ctk s VAL 15 CO 0.70 0.48 0.77 -0.81 0.00 0.00 0.00 175.10 176.24 2ctk n PRO 16 N 1.82 -2.52 -3.86 2.72 -0.04 -1.26 -4.89 135.00 126.97 2ctk n PRO 16 Ca -0.03 -1.24 -0.10 0.00 -0.04 0.00 0.00 63.50 62.09 2ctk n PRO 16 Cb 0.48 -1.16 -0.08 0.00 -0.04 0.00 0.00 33.50 32.70 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 -2.41 0.12 -0.07 0.52 -7.23 -0.34 -4.86 120.40 106.13 2ctk s VAL 17 Ca 0.50 -0.97 -0.17 0.00 -1.81 0.00 0.00 61.98 59.53 2ctk s VAL 17 Cb -0.05 -0.97 -0.05 0.00 0.56 0.00 0.00 36.38 35.87 2ctk s VAL 17 CO 0.39 -0.54 0.44 -0.89 -0.31 0.00 0.00 175.10 174.19 2ctk s THR 18 N -2.76 5.11 0.40 5.32 2.01 -1.26 -1.82 115.64 122.64 2ctk s THR 18 Ca -0.04 0.89 0.07 0.00 0.31 0.00 0.00 61.69 62.93 2ctk s THR 18 Cb -0.00 -3.77 -0.07 0.00 0.01 0.00 0.00 72.50 68.67 2ctk s THR 18 CO -0.05 0.44 0.03 0.27 -0.69 0.00 0.00 174.62 174.61 2ctk s ILE 19 N -0.11 2.08 -0.14 1.82 -4.36 0.56 -4.93 121.20 116.11 2ctk s ILE 19 Ca 0.24 -1.97 0.02 0.00 -0.26 0.00 0.00 60.65 58.68 2ctk s ILE 19 Cb -0.16 -2.97 0.01 0.00 1.25 0.00 0.00 42.46 40.60 2ctk s ILE 19 CO 0.11 -0.02 -0.20 -1.61 0.24 0.00 0.00 174.94 173.46 2ctk s GLU 20 N -3.73 2.83 -0.14 0.37 2.02 -1.26 -2.12 118.70 116.67 2ctk s GLU 20 Ca 0.36 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.58 2ctk s GLU 20 Cb 0.08 -2.35 -0.00 0.00 0.10 0.00 0.00 34.13 31.96 2ctk s GLU 20 CO 0.19 -0.08 -0.17 0.08 0.02 0.00 0.00 175.26 175.29 2ctk s VAL 21 N 0.99 2.57 -0.25 2.63 1.01 0.44 -4.95 120.40 122.84 2ctk s VAL 21 Ca -0.04 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 2ctk s VAL 21 Cb -0.15 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 2ctk s VAL 21 CO -0.05 0.53 1.54 -1.61 0.00 0.00 0.00 175.10 175.51 2ctk s GLU 22 N 0.61 3.79 -0.25 2.72 2.02 -1.26 -0.64 118.70 125.70 2ctk s GLU 22 Ca -0.09 1.52 -0.12 0.00 0.02 0.00 0.00 54.97 56.30 2ctk s GLU 22 Cb -0.16 -4.01 0.09 0.00 0.10 0.00 0.00 34.13 30.15 2ctk s GLU 22 CO 0.03 -1.29 0.58 0.08 0.02 0.00 0.00 175.26 174.68 2ctk s VAL 23 N 5.10 -0.37 0.26 2.63 1.01 0.77 -4.95 120.40 124.85 2ctk s VAL 23 Ca 0.68 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 2ctk s VAL 23 Cb -0.22 -0.87 -0.09 0.00 0.00 0.00 0.00 36.38 35.20 2ctk s VAL 23 CO 0.28 0.02 1.26 -2.16 0.00 0.00 0.00 175.10 174.50 2ctk s PRO 24 N 2.07 4.43 0.64 2.72 0.04 -1.26 -3.70 135.00 139.95 2ctk s PRO 24 Ca -0.08 2.05 0.36 0.00 0.04 0.00 0.00 61.00 63.38 2ctk s PRO 24 Cb -0.09 -3.15 2.01 0.00 0.04 0.00 0.00 34.50 33.31 2ctk s PRO 24 CO -0.17 -0.13 2.19 0.35 0.04 0.00 0.00 177.00 179.28 2ctk h PHE 25 N 4.38 0.00 -0.00 0.56 3.04 -1.87 -0.24 116.94 122.80 2ctk h PHE 25 Ca -0.47 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 0.59 0.00 0.02 -0.44 -2.02 0.00 0.00 178.31 176.46 2ctk h ASP 26 N 0.00 0.00 0.00 0.41 3.32 -1.96 -1.83 116.42 116.36 2ctk h ASP 26 Ca 0.02 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.76 2ctk h ASP 26 Cb 0.28 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.77 2ctk h ASP 26 CO -0.00 0.00 -2.28 0.18 -1.72 0.00 0.00 179.24 175.42 2ctk n LEU 27 N -3.29 0.00 -0.40 1.55 4.77 -0.11 -4.55 117.00 114.98 2ctk n LEU 27 Ca -0.03 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.89 2ctk n LEU 27 Cb 0.09 0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 2ctk n LEU 27 CO 0.22 0.42 0.52 1.41 -1.33 0.00 0.00 177.39 178.63 2ctk n HIS 28 N -2.66 -0.24 -0.36 -1.77 8.25 -0.69 0.15 115.22 117.90 2ctk n HIS 28 Ca -0.28 1.23 0.28 0.00 -0.26 0.00 0.00 57.72 58.68 2ctk n HIS 28 Cb 1.06 -0.70 0.56 0.00 1.12 0.00 0.00 29.99 32.02 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 0.27 0.00 -0.41 0.11 -1.80 0.95 114.38 113.50 2ctk h ARG 29 Ca 0.24 -0.02 -0.17 0.00 0.10 0.00 0.00 59.98 60.13 2ctk h ARG 29 Cb 0.48 -0.06 -0.03 0.00 1.11 0.00 0.00 29.97 31.48 2ctk h ARG 29 CO -0.95 0.18 -0.94 1.88 0.10 0.00 0.00 179.97 180.24 2ctk h TYR 30 N 0.28 0.00 0.13 4.08 0.05 0.11 -2.75 116.97 118.87 2ctk h TYR 30 Ca 0.67 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.45 2ctk h TYR 30 Cb 1.88 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.62 2ctk h TYR 30 CO -0.00 0.72 -0.06 0.28 -1.05 0.00 0.00 178.16 178.04 2ctk h VAL 31 N 0.00 0.84 -0.61 -2.88 2.07 0.44 -3.32 116.25 112.79 2ctk h VAL 31 Ca -0.06 -1.25 -0.06 0.00 0.82 0.00 0.00 66.70 66.15 2ctk h VAL 31 Cb 1.60 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.80 2ctk h VAL 31 CO 0.08 0.23 0.13 0.40 0.02 0.00 0.00 177.57 178.44 2ctk h ILE 32 N -0.90 1.24 0.00 4.57 2.04 -0.63 -3.25 117.51 120.58 2ctk h ILE 32 Ca -0.02 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.94 2ctk h ILE 32 Cb 0.52 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2ctk h ILE 32 CO 0.03 0.34 0.00 0.61 0.00 0.00 0.00 178.15 179.13 2ctk n GLY 33 N -0.76 -1.09 0.12 5.37 0.00 -1.04 -2.66 105.19 105.13 2ctk n GLY 33 Ca 0.04 -1.28 -0.22 0.00 0.00 0.00 0.00 46.02 44.56 2ctk n GLY 33 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ctk n GLN 34 N 0.00 0.64 -2.61 1.61 -0.06 -1.26 -4.55 117.38 111.14 2ctk n GLN 34 Ca 0.00 0.43 -0.26 0.00 -2.00 0.00 0.00 57.00 55.18 2ctk n GLN 34 Cb 0.00 -1.71 -0.01 0.00 -4.06 0.00 0.00 30.24 24.46 2ctk n GLN 34 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 2ctk n LYS 35 N -4.06 3.17 -3.77 3.69 5.02 -1.26 -4.94 118.16 116.01 2ctk n LYS 35 Ca -0.34 -4.48 -0.31 0.00 -2.02 0.00 0.00 58.31 51.16 2ctk n LYS 35 Cb 0.83 -2.16 -0.06 0.00 -0.02 0.00 0.00 35.03 33.62 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 -0.38 -0.28 0.10 0.72 0.00 -1.09 -4.77 105.19 99.50 2ctk n GLY 36 Ca 0.35 0.06 -0.21 0.00 0.00 0.00 0.00 46.02 46.21 2ctk n GLY 36 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2ctk h SER 37 N -0.68 0.00 -0.59 1.61 0.87 -1.90 -3.05 113.55 109.81 2ctk h SER 37 Ca -0.45 -0.56 0.16 0.00 -1.23 0.00 0.00 61.79 59.71 2ctk h SER 37 Cb 1.03 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.96 2ctk h SER 37 CO 0.66 1.45 0.42 1.23 -0.53 0.00 0.00 176.83 180.05 2ctk h GLY 38 N -0.98 0.11 1.31 5.77 0.00 -1.77 -0.60 103.07 106.91 2ctk h GLY 38 Ca -0.32 -0.03 -0.28 0.00 0.00 0.00 0.00 47.33 46.70 2ctk h GLY 38 CO -0.19 0.01 -1.48 -2.22 0.00 0.00 0.00 176.54 172.66 2ctk h ILE 39 N 0.07 1.18 0.01 2.60 2.04 -1.71 -3.36 117.51 118.32 2ctk h ILE 39 Ca 0.28 -2.89 0.00 0.00 1.00 0.00 0.00 64.86 63.25 2ctk h ILE 39 Cb 1.03 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.79 2ctk h ILE 39 CO -0.02 0.77 -0.03 -0.09 0.00 0.00 0.00 178.15 178.78 2ctk h ARG 40 N 0.04 -0.05 -1.24 2.37 2.43 -1.01 -1.71 114.38 115.21 2ctk h ARG 40 Ca -0.21 0.00 0.43 0.00 -0.81 0.00 0.00 59.98 59.39 2ctk h ARG 40 Cb 1.96 0.01 -0.14 0.00 -0.42 0.00 0.00 29.97 31.38 2ctk h ARG 40 CO 0.13 -0.03 0.77 1.57 -1.51 0.00 0.00 179.97 180.90 2ctk h LYS 41 N -0.05 0.08 0.20 0.20 2.10 -1.55 0.71 116.57 118.26 2ctk h LYS 41 Ca 0.01 -0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.36 2ctk h LYS 41 Cb 0.06 -0.02 0.03 0.00 -0.90 0.00 0.00 32.23 31.40 2ctk h LYS 41 CO -0.02 0.05 -1.33 0.52 -2.00 0.00 0.00 179.45 176.67 2ctk h MET 42 N 0.08 0.43 0.00 0.07 2.86 -1.60 -2.69 114.93 114.08 2ctk h MET 42 Ca 0.83 -0.73 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 2ctk h MET 42 Cb 2.46 0.27 -0.00 0.00 0.06 0.00 0.00 31.60 34.39 2ctk h MET 42 CO -0.51 1.35 -0.10 0.52 1.06 0.00 0.00 176.91 179.23 2ctk h MET 43 N -0.05 0.00 0.00 1.72 2.86 0.11 0.25 114.93 119.81 2ctk h MET 43 Ca -0.24 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.22 2ctk h MET 43 Cb 1.98 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.61 2ctk h MET 43 CO 0.21 0.10 -1.06 -0.44 1.06 0.00 0.00 176.91 176.78 2ctk h ASP 44 N 0.00 0.00 0.00 1.22 3.32 -0.36 -1.40 116.42 119.20 2ctk h ASP 44 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2ctk h ASP 44 Cb 0.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 2ctk h ASP 44 CO 0.01 0.70 -0.07 -0.08 -1.72 0.00 0.00 179.24 178.09 2ctk h GLU 45 N 0.00 0.00 -0.04 3.56 4.57 -0.98 -3.33 114.58 118.35 2ctk h GLU 45 Ca -0.09 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2ctk h GLU 45 Cb 1.62 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.21 2ctk h GLU 45 CO 0.08 0.49 0.00 1.19 -1.18 0.00 0.00 179.01 179.59 2ctk n PHE 46 N -4.68 0.05 -2.31 0.92 3.72 0.78 -4.90 117.46 111.04 2ctk n PHE 46 Ca -0.06 -0.02 -0.10 0.00 -0.05 0.00 0.00 57.45 57.21 2ctk n PHE 46 Cb 0.26 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.79 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 -0.19 -2.20 -3.00 -1.08 1.02 -0.55 -4.89 120.64 109.75 2ctk n GLU 47 Ca 0.19 0.52 -0.18 0.00 -0.02 0.00 0.00 57.16 57.67 2ctk n GLU 47 Cb 0.26 -5.06 0.02 0.00 -0.02 0.00 0.00 31.44 26.64 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 -3.06 0.00 -3.88 2.62 0.24 -1.06 -4.99 118.33 108.20 2ctk n VAL 48 Ca -0.12 -1.61 -0.26 0.00 -2.04 0.00 0.00 64.34 60.31 2ctk n VAL 48 Cb 0.56 -0.32 -0.17 0.00 -1.47 0.00 0.00 33.84 32.44 2ctk n VAL 48 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2ctk s ASN 49 N -3.60 2.15 -0.17 -1.34 3.84 -0.63 -4.48 114.94 110.71 2ctk s ASN 49 Ca 0.33 -0.31 -0.09 0.00 0.21 0.00 0.00 52.86 53.00 2ctk s ASN 49 Cb -0.03 -0.77 -0.05 0.00 -0.55 0.00 0.00 41.25 39.86 2ctk s ASN 49 CO 0.21 -0.14 0.12 -0.63 -2.79 0.00 0.00 177.10 173.86 2ctk s ILE 50 N 1.75 5.31 -0.11 -5.21 1.01 -1.26 -0.34 121.20 122.36 2ctk s ILE 50 Ca 0.04 0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.87 2ctk s ILE 50 Cb -0.13 -3.39 0.01 0.00 0.01 0.00 0.00 42.46 38.96 2ctk s ILE 50 CO -0.08 0.49 -0.20 -1.00 0.00 0.00 0.00 174.94 174.15 2ctk s HIS 51 N -0.01 2.32 -0.11 3.97 3.76 0.71 -5.01 115.29 120.92 2ctk s HIS 51 Ca 0.09 -1.03 -0.04 0.00 -0.15 0.00 0.00 55.06 53.93 2ctk s HIS 51 Cb -0.11 -1.59 -0.04 0.00 1.11 0.00 0.00 32.58 31.95 2ctk s HIS 51 CO -0.00 -0.46 0.05 0.08 -0.85 0.00 0.00 174.74 173.56 2ctk s VAL 52 N 0.63 4.76 0.23 -0.90 1.01 -1.26 -1.81 120.40 123.05 2ctk s VAL 52 Ca -0.13 -0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.48 2ctk s VAL 52 Cb -0.16 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 33.08 2ctk s VAL 52 CO 0.04 0.60 1.28 -2.16 0.00 0.00 0.00 175.10 174.85 2ctk s PRO 53 N -0.80 4.41 0.71 2.72 0.04 -1.26 -4.98 135.00 135.84 2ctk s PRO 53 Ca 0.13 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 63.05 2ctk s PRO 53 Cb -0.12 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 2ctk s PRO 53 CO 0.03 -0.19 0.53 0.00 0.04 0.00 0.00 177.00 177.40 2ctk n ALA 54 N 2.16 -1.49 0.45 8.56 0.00 -1.26 -4.82 120.51 124.11 2ctk n ALA 54 Ca 0.04 -0.22 0.09 0.00 0.00 0.00 0.00 53.44 53.35 2ctk n ALA 54 Cb 0.43 -1.85 0.38 0.00 0.00 0.00 0.00 19.45 18.41 2ctk n ALA 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ctk n PRO 55 N -0.67 0.08 0.00 0.00 -0.04 -1.26 -1.99 135.00 131.11 2ctk n PRO 55 Ca 0.10 0.32 0.13 0.00 -0.04 0.00 0.00 63.50 64.01 2ctk n PRO 55 Cb 0.50 -1.65 0.41 0.00 -0.04 0.00 0.00 33.50 32.72 2ctk n PRO 55 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2ctk n GLU 56 N -1.79 0.51 -0.01 0.54 0.28 -1.26 -3.68 120.64 115.22 2ctk n GLU 56 Ca 0.03 -0.26 0.08 0.00 -0.16 0.00 0.00 57.16 56.85 2ctk n GLU 56 Cb 0.19 -1.49 -0.16 0.00 1.43 0.00 0.00 31.44 31.41 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 -1.02 0.07 -2.91 -1.84 4.77 -0.84 -4.98 117.00 110.24 2ctk n LEU 57 Ca 0.10 0.03 -0.21 0.00 -0.03 0.00 0.00 56.01 55.90 2ctk n LEU 57 Cb 0.33 0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.49 2ctk n LEU 57 CO 0.28 0.05 -0.08 0.00 -1.33 0.00 0.00 177.39 176.32 2ctk n GLN 58 N -2.36 -3.65 -2.92 3.23 6.02 -1.23 -4.94 117.38 111.53 2ctk n GLN 58 Ca -0.07 0.79 -0.40 0.00 -0.01 0.00 0.00 57.00 57.30 2ctk n GLN 58 Cb 0.65 -5.55 -0.05 0.00 1.02 0.00 0.00 30.24 26.31 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 -2.50 7.35 -0.20 1.08 0.15 -1.26 -4.96 113.70 113.36 2ctk s SER 59 Ca 0.23 1.60 0.16 0.00 0.70 0.00 0.00 55.95 58.64 2ctk s SER 59 Cb -0.11 -2.51 0.65 0.00 -1.71 0.00 0.00 66.02 62.34 2ctk s SER 59 CO 0.29 0.08 1.56 0.47 1.20 0.00 0.00 173.24 176.83 2ctk n ASP 60 N 2.31 4.66 -4.01 5.45 8.00 -1.26 -4.41 116.55 127.29 2ctk n ASP 60 Ca -0.03 -2.97 -0.30 0.00 0.71 0.00 0.00 54.79 52.21 2ctk n ASP 60 Cb 0.49 -0.60 -0.16 0.00 -0.02 0.00 0.00 41.12 40.83 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 -2.77 1.53 0.08 0.53 -1.09 -1.24 -0.17 121.20 118.08 2ctk s ILE 61 Ca 0.47 -0.61 -0.16 0.00 -2.23 0.00 0.00 60.65 58.12 2ctk s ILE 61 Cb 0.37 -1.44 -0.07 0.00 -1.58 0.00 0.00 42.46 39.74 2ctk s ILE 61 CO 0.12 0.45 0.52 -0.63 -1.23 0.00 0.00 174.94 174.18 2ctk s ILE 62 N 1.46 4.85 -0.23 2.92 1.01 0.19 -4.62 121.20 126.78 2ctk s ILE 62 Ca 0.04 0.98 -0.08 0.00 0.00 0.00 0.00 60.65 61.59 2ctk s ILE 62 Cb -0.13 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 2ctk s ILE 62 CO -0.10 0.44 0.08 0.00 0.00 0.00 0.00 174.94 175.36 2ctk s ALA 63 N -1.24 3.27 -0.12 9.38 0.00 -0.75 -0.42 121.76 131.88 2ctk s ALA 63 Ca 0.31 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.28 2ctk s ALA 63 Cb -0.17 -2.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.88 2ctk s ALA 63 CO 0.18 -0.28 -0.18 0.42 0.00 0.00 0.00 175.76 175.91 2ctk s ILE 64 N 1.22 2.64 -0.11 0.00 1.01 -0.90 -0.21 121.20 124.85 2ctk s ILE 64 Ca 0.05 -0.81 -0.04 0.00 0.00 0.00 0.00 60.65 59.85 2ctk s ILE 64 Cb -0.14 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 2ctk s ILE 64 CO 0.04 0.54 0.02 -0.89 0.00 0.00 0.00 174.94 174.65 2ctk s THR 65 N 0.34 4.47 0.00 2.92 2.01 0.54 -0.32 115.64 125.61 2ctk s THR 65 Ca -0.14 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.68 2ctk s THR 65 Cb -0.17 -2.92 0.00 0.00 0.01 0.00 0.00 72.50 69.42 2ctk s THR 65 CO 0.07 0.57 0.00 0.61 -0.69 0.00 0.00 174.62 175.18 2ctk n GLY 66 N 2.51 0.97 3.77 4.40 0.00 -0.75 -1.60 105.19 114.48 2ctk n GLY 66 Ca -0.18 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.30 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 4.40 0.27 0.99 1.43 -1.26 -1.20 118.68 123.32 2ctk s LEU 67 Ca 0.00 2.69 0.08 0.00 -1.03 0.00 0.00 54.13 55.87 2ctk s LEU 67 Cb 0.00 -3.68 0.83 0.00 0.03 0.00 0.00 46.19 43.37 2ctk s LEU 67 CO 0.00 -0.57 1.28 0.00 0.23 0.00 0.00 176.35 177.29 2ctk n ALA 68 N 0.72 0.60 -0.00 4.21 0.00 -1.26 0.14 120.51 124.91 2ctk n ALA 68 Ca 0.00 0.85 -0.12 0.00 0.00 0.00 0.00 53.44 54.18 2ctk n ALA 68 Cb 0.42 -0.72 -0.06 0.00 0.00 0.00 0.00 19.45 19.09 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 1.63 0.10 -0.01 0.00 0.00 -1.93 -2.57 119.26 116.47 2ctk h ALA 69 Ca 0.58 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 2ctk h ALA 69 Cb 1.37 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2ctk h ALA 69 CO -0.70 -0.34 0.00 -0.91 0.00 0.00 0.00 179.25 177.30 2ctk h ASN 70 N -0.00 0.02 -1.09 0.00 2.35 0.81 -2.80 115.58 114.87 2ctk h ASN 70 Ca 0.03 -0.24 0.29 0.00 -0.55 0.00 0.00 56.30 55.83 2ctk h ASN 70 Cb 0.12 -0.01 -0.09 0.00 0.05 0.00 0.00 38.32 38.40 2ctk h ASN 70 CO -0.00 0.26 0.72 -0.07 -1.65 0.00 0.00 177.43 176.68 2ctk h LEU 71 N -0.22 0.34 -0.27 1.61 3.38 -0.52 0.30 115.31 119.93 2ctk h LEU 71 Ca 0.00 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2ctk h LEU 71 Cb 0.25 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2ctk h LEU 71 CO 0.00 0.04 -0.12 0.44 0.09 0.00 0.00 178.44 178.89 2ctk h ASP 72 N 0.29 0.57 0.23 -0.43 5.19 -1.20 -0.41 116.42 120.66 2ctk h ASP 72 Ca 0.61 -0.40 -0.01 0.00 -0.62 0.00 0.00 57.03 56.60 2ctk h ASP 72 Cb 1.74 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 41.10 2ctk h ASP 72 CO -0.25 0.85 -0.11 0.03 -3.12 0.00 0.00 179.24 176.64 2ctk h ARG 73 N 0.29 -0.29 0.47 3.56 3.08 -0.43 -2.44 114.38 118.61 2ctk h ARG 73 Ca 0.06 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2ctk h ARG 73 Cb 0.63 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 2ctk h ARG 73 CO 0.04 0.08 -0.38 0.00 -1.07 0.00 0.00 179.97 178.63 2ctk h ALA 74 N -0.19 -0.88 -0.70 0.04 0.00 -0.69 -2.47 119.26 114.37 2ctk h ALA 74 Ca -0.03 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 54.88 2ctk h ALA 74 Cb 0.51 0.52 -0.11 0.00 0.00 0.00 0.00 17.79 18.70 2ctk h ALA 74 CO 0.05 -1.02 0.07 -0.22 0.00 0.00 0.00 179.25 178.12 2ctk h LYS 75 N -0.84 0.16 -0.97 0.00 3.64 -1.18 0.23 116.57 117.61 2ctk h LYS 75 Ca -0.05 -0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.46 2ctk h LYS 75 Cb 0.72 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.42 2ctk h LYS 75 CO -0.01 0.11 0.61 0.00 -2.27 0.00 0.00 179.45 177.89 2ctk h ALA 76 N 1.63 1.64 0.32 5.00 0.00 -1.11 -1.58 119.26 125.16 2ctk h ALA 76 Ca 0.39 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 2ctk h ALA 76 Cb 0.66 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2ctk h ALA 76 CO -0.57 0.09 -0.15 0.78 0.00 0.00 0.00 179.25 179.40 2ctk h GLY 77 N 0.87 -0.45 -0.07 0.00 0.00 -0.13 -2.91 103.07 100.37 2ctk h GLY 77 Ca 0.50 0.17 0.06 0.00 0.00 0.00 0.00 47.33 48.06 2ctk h GLY 77 CO -0.27 -0.16 -0.36 -2.00 0.00 0.00 0.00 176.54 173.75 2ctk h LEU 78 N -0.88 -1.16 -0.27 3.11 5.85 -1.01 0.57 115.31 121.52 2ctk h LEU 78 Ca -0.04 0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.89 2ctk h LEU 78 Cb 0.52 0.51 -0.07 0.00 0.37 0.00 0.00 40.66 41.99 2ctk h LEU 78 CO 0.07 -0.36 -0.53 -0.07 -0.34 0.00 0.00 178.44 177.21 2ctk h LEU 79 N -0.35 -1.73 -1.66 2.25 3.38 -1.39 0.19 115.31 116.00 2ctk h LEU 79 Ca 0.13 0.22 0.15 0.00 0.09 0.00 0.00 57.88 58.47 2ctk h LEU 79 Cb 0.57 0.69 -0.04 0.00 0.09 0.00 0.00 40.66 41.96 2ctk h LEU 79 CO -0.47 -0.42 0.49 -0.33 0.09 0.00 0.00 178.44 177.80 2ctk h GLU 80 N -0.46 0.32 -0.59 1.13 4.39 -1.23 0.38 114.58 118.52 2ctk h GLU 80 Ca 0.05 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 2ctk h GLU 80 Cb 0.61 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 2ctk h GLU 80 CO -0.50 0.21 0.14 -0.09 -1.16 0.00 0.00 179.01 177.61 2ctk h ARG 81 N 0.33 0.91 -0.38 2.33 9.65 0.16 -1.55 114.38 125.85 2ctk h ARG 81 Ca 0.35 -0.20 -0.14 0.00 -1.10 0.00 0.00 59.98 58.90 2ctk h ARG 81 Cb 0.90 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.34 2ctk h ARG 81 CO -0.10 0.82 -0.30 0.28 2.80 0.00 0.00 179.97 183.47 2ctk h VAL 82 N 0.88 1.28 -0.45 0.20 2.07 0.46 0.16 116.25 120.85 2ctk h VAL 82 Ca 0.19 -1.46 -0.03 0.00 0.82 0.00 0.00 66.70 66.21 2ctk h VAL 82 Cb 0.32 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2ctk h VAL 82 CO -0.00 0.49 0.14 0.11 0.02 0.00 0.00 177.57 178.33 2ctk h LYS 83 N 0.67 0.69 -0.05 1.57 6.56 -1.20 1.00 116.57 125.80 2ctk h LYS 83 Ca 0.07 -0.15 -0.19 0.00 -1.06 0.00 0.00 60.65 59.32 2ctk h LYS 83 Cb 0.88 -0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 32.43 2ctk h LYS 83 CO 0.08 0.67 -0.78 0.93 -2.06 0.00 0.00 179.45 178.28 2ctk h GLU 84 N 0.58 0.38 -0.33 3.15 5.08 -1.27 -2.14 114.58 120.03 2ctk h GLU 84 Ca 0.14 -0.34 -0.14 0.00 -1.00 0.00 0.00 59.36 58.03 2ctk h GLU 84 Cb 0.26 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2ctk h GLU 84 CO -0.01 0.99 -0.35 -0.07 -1.00 0.00 0.00 179.01 178.57 2ctk h LEU 85 N 0.25 0.80 -0.49 1.33 3.38 -0.51 -0.11 115.31 119.96 2ctk h LEU 85 Ca -0.04 -0.35 -0.11 0.00 0.09 0.00 0.00 57.88 57.48 2ctk h LEU 85 Cb 1.37 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 2ctk h LEU 85 CO 0.13 1.08 -0.50 0.06 0.09 0.00 0.00 178.44 179.30 2ctk h GLN 86 N 0.63 0.00 0.00 1.13 3.07 -0.80 -1.45 115.11 117.69 2ctk h GLN 86 Ca 0.06 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.59 2ctk h GLN 86 Cb 0.90 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.42 2ctk h GLN 86 CO 0.08 0.50 -1.13 0.00 0.09 0.00 0.00 178.83 178.37 2ctk h ALA 87 N 1.50 0.52 0.12 0.06 0.00 -1.20 -2.82 119.26 117.44 2ctk h ALA 87 Ca -0.01 -0.97 -0.21 0.00 0.00 0.00 0.00 54.91 53.72 2ctk h ALA 87 Cb 1.18 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.02 2ctk h ALA 87 CO 0.07 1.21 -0.99 1.05 0.00 0.00 0.00 179.25 180.59 2ctk h GLU 88 N 0.00 0.26 0.00 0.00 4.11 -0.99 -0.84 114.58 117.12 2ctk h GLU 88 Ca -0.09 -0.45 -0.04 0.00 0.07 0.00 0.00 59.36 58.86 2ctk h GLU 88 Cb 1.76 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 31.17 2ctk h GLU 88 CO 0.10 1.22 -0.17 -0.56 0.07 0.00 0.00 179.01 179.67 2ctk h GLN 89 N -0.39 0.00 0.09 1.06 3.07 -1.41 -3.13 115.11 114.40 2ctk h GLN 89 Ca -0.20 0.00 -0.36 0.00 0.09 0.00 0.00 58.65 58.19 2ctk h GLN 89 Cb 1.65 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 29.18 2ctk h GLN 89 CO 0.11 0.17 -2.02 0.39 0.09 0.00 0.00 178.83 177.56 2ctk n GLU 90 N -3.37 0.72 -0.37 0.06 -0.58 -1.06 -4.38 120.64 111.67 2ctk n GLU 90 Ca -0.00 0.25 -0.05 0.00 -0.42 0.00 0.00 57.16 56.93 2ctk n GLU 90 Cb 0.37 -1.69 -0.02 0.00 -0.57 0.00 0.00 31.44 29.53 2ctk n GLU 90 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2ctk n ASP 91 N -3.36 -0.76 -0.27 1.62 2.03 -0.32 0.19 116.55 115.67 2ctk n ASP 91 Ca -0.31 1.60 0.17 0.00 0.52 0.00 0.00 54.79 56.78 2ctk n ASP 91 Cb 1.05 -0.29 0.46 0.00 -0.72 0.00 0.00 41.12 41.61 2ctk n ASP 91 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 2ctk h ARG 92 N 0.00 0.49 -0.11 -0.67 0.11 -1.76 -0.25 114.38 112.19 2ctk h ARG 92 Ca 0.24 -0.03 -0.17 0.00 0.10 0.00 0.00 59.98 60.12 2ctk h ARG 92 Cb 0.47 -0.11 0.01 0.00 1.11 0.00 0.00 29.97 31.44 2ctk h ARG 92 CO -0.88 0.33 -0.61 0.00 0.10 0.00 0.00 179.97 178.90 2ctk h ALA 93 N 1.61 0.22 -0.27 0.08 0.00 0.18 -3.28 119.26 117.81 2ctk h ALA 93 Ca 0.49 -0.55 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2ctk h ALA 93 Cb 1.09 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2ctk h ALA 93 CO -0.22 0.48 0.10 1.25 0.00 0.00 0.00 179.25 180.85 2ctk h LEU 94 N 0.24 0.11 -2.74 0.00 5.85 0.11 -3.46 115.31 115.41 2ctk h LEU 94 Ca -0.05 0.03 -0.55 0.00 0.84 0.00 0.00 57.88 58.15 2ctk h LEU 94 Cb 1.26 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.24 2ctk h LEU 94 CO 0.13 0.10 -0.96 -1.14 -0.34 0.00 0.00 178.44 176.23 2ctk n ARG 95 N -5.02 -1.41 -3.57 1.25 0.63 -0.46 -4.93 116.66 103.15 2ctk n ARG 95 Ca -0.01 0.23 -0.28 0.00 -0.92 0.00 0.00 57.85 56.86 2ctk n ARG 95 Cb 0.09 -3.62 -0.11 0.00 0.45 0.00 0.00 32.46 29.27 2ctk n ARG 95 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2ctk s SER 96 N -3.99 2.84 0.17 6.15 0.15 -1.26 -5.11 113.70 112.65 2ctk s SER 96 Ca 0.22 -2.94 -0.25 0.00 0.70 0.00 0.00 55.95 53.68 2ctk s SER 96 Cb -0.10 -0.79 -0.15 0.00 -1.71 0.00 0.00 66.02 63.27 2ctk s SER 96 CO 0.94 -0.20 0.47 2.22 1.20 0.00 0.00 173.24 177.87 2ctk n PHE 97 N 3.08 -0.40 -3.96 3.44 1.16 -1.26 -4.92 117.46 114.60 2ctk n PHE 97 Ca 0.20 0.86 -0.33 0.00 -1.87 0.00 0.00 57.45 56.30 2ctk n PHE 97 Cb 0.40 -1.73 -0.14 0.00 -1.61 0.00 0.00 39.48 36.40 2ctk n PHE 97 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 2ctk s LYS 98 N -0.85 2.09 0.07 3.97 -0.14 -1.26 -5.10 119.74 118.52 2ctk s LYS 98 Ca 0.57 -1.52 -0.20 0.00 -1.36 0.00 0.00 55.97 53.47 2ctk s LYS 98 Cb -0.83 -3.17 -0.07 0.00 -1.68 0.00 0.00 37.83 32.09 2ctk s LYS 98 CO 0.49 -0.75 0.58 0.45 -0.76 0.00 0.00 175.35 175.36 2ctk s SER 99 N 1.22 7.08 0.13 2.83 0.15 -1.26 -5.08 113.70 118.76 2ctk s SER 99 Ca -0.00 1.28 0.10 0.00 0.70 0.00 0.00 55.95 58.02 2ctk s SER 99 Cb -0.20 -2.37 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 2ctk s SER 99 CO -0.04 0.27 -0.24 -0.83 1.20 0.00 0.00 173.24 173.60 2ctk s GLY 100 N -1.08 1.44 0.54 9.45 0.00 -1.26 -5.13 107.32 111.28 2ctk s GLY 100 Ca 0.29 -1.40 -0.20 0.00 0.00 0.00 0.00 44.72 43.41 2ctk s GLY 100 CO 0.19 -1.40 1.13 2.56 0.00 0.00 0.00 173.10 175.58 2ctk s PRO 101 N -2.13 3.39 -0.07 2.90 0.04 -1.26 -5.04 135.00 132.84 2ctk s PRO 101 Ca 0.12 1.63 -0.07 0.00 0.04 0.00 0.00 61.00 62.71 2ctk s PRO 101 Cb -0.09 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 2ctk s PRO 101 CO 0.06 -0.82 0.20 0.45 0.04 0.00 0.00 177.00 176.93 2ctk s SER 102 N -1.73 6.46 -0.24 6.66 0.15 -1.26 -5.01 113.70 118.72 2ctk s SER 102 Ca 0.72 0.53 -0.06 0.00 0.70 0.00 0.00 55.95 57.83 2ctk s SER 102 Cb -0.24 -2.08 -0.13 0.00 -1.71 0.00 0.00 66.02 61.86 2ctk s SER 102 CO 0.28 0.35 -0.27 -0.24 1.20 0.00 0.00 173.24 174.56 2ctk n SER 103 N 1.66 1.95 0.00 5.45 2.88 -1.26 -5.38 113.62 118.92 2ctk n SER 103 Ca -0.16 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 2ctk n SER 103 Cb 0.54 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 2ctk n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42