#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 2.11 -0.18 1.61 0.01 -1.26 -5.12 113.70 110.86 2ctk s SER 2 Ca 0.00 -0.54 -0.09 0.00 1.31 0.00 0.00 55.95 56.62 2ctk s SER 2 Cb 0.00 -0.03 0.07 0.00 0.21 0.00 0.00 66.02 66.27 2ctk s SER 2 CO 0.00 -0.35 0.43 -0.55 0.41 0.00 0.00 173.24 173.18 2ctk s SER 3 N 2.20 -0.51 0.00 2.44 0.15 -1.26 -5.14 113.70 111.58 2ctk s SER 3 Ca 0.04 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.65 2ctk s SER 3 Cb -0.16 0.91 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 2ctk s SER 3 CO -0.13 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.72 2ctk n GLY 4 N 4.45 3.28 3.89 9.45 0.00 -1.26 -5.06 105.19 119.93 2ctk n GLY 4 Ca -0.21 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 2ctk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctk s SER 5 N 0.00 6.51 0.29 1.61 0.01 -1.26 -5.10 113.70 115.76 2ctk s SER 5 Ca 0.00 0.94 0.04 0.00 1.31 0.00 0.00 55.95 58.24 2ctk s SER 5 Cb 0.00 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 2ctk s SER 5 CO 0.00 -0.27 0.19 -0.94 0.41 0.00 0.00 173.24 172.63 2ctk s SER 6 N -3.05 1.31 0.00 2.44 1.04 -1.26 -5.14 113.70 109.05 2ctk s SER 6 Ca 0.48 -1.59 0.00 0.00 0.48 0.00 0.00 55.95 55.32 2ctk s SER 6 Cb -0.11 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2ctk s SER 6 CO 0.29 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.18 2ctk n GLY 7 N -0.54 0.65 3.50 7.32 0.00 -1.26 -5.04 105.19 109.82 2ctk n GLY 7 Ca 0.03 -2.12 -0.27 0.00 0.00 0.00 0.00 46.02 43.67 2ctk n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2ctk n LYS 8 N 0.24 -1.17 -3.64 1.61 2.85 -1.26 -5.11 118.16 111.68 2ctk n LYS 8 Ca 0.00 -1.87 -0.10 0.00 -1.05 0.00 0.00 58.31 55.29 2ctk n LYS 8 Cb 0.00 -1.24 -0.07 0.00 -0.65 0.00 0.00 35.03 33.07 2ctk n LYS 8 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2ctk s GLU 9 N -5.63 0.71 -0.22 -1.58 2.12 -1.26 -5.15 118.70 107.69 2ctk s GLU 9 Ca 0.68 1.00 -0.03 0.00 0.36 0.00 0.00 54.97 56.98 2ctk s GLU 9 Cb -0.02 0.27 0.11 0.00 0.26 0.00 0.00 34.13 34.75 2ctk s GLU 9 CO 0.48 -0.11 0.30 0.00 -0.54 0.00 0.00 175.26 175.39 2ctk s ALA 10 N 0.88 -0.70 -0.22 6.30 0.00 -1.26 -5.08 121.76 121.69 2ctk s ALA 10 Ca -0.04 0.59 -0.21 0.00 0.00 0.00 0.00 51.96 52.30 2ctk s ALA 10 Cb -0.05 -1.51 0.06 0.00 0.00 0.00 0.00 23.12 21.62 2ctk s ALA 10 CO -0.09 -1.24 0.59 -1.17 0.00 0.00 0.00 175.76 173.85 2ctk s LEU 11 N 2.44 -0.26 -0.11 0.00 2.96 -1.26 -5.15 118.68 117.30 2ctk s LEU 11 Ca 0.10 1.18 -0.00 0.00 -0.22 0.00 0.00 54.13 55.19 2ctk s LEU 11 Cb -0.16 2.03 0.02 0.00 0.50 0.00 0.00 46.19 48.59 2ctk s LEU 11 CO -0.14 -0.21 -0.08 -0.70 -1.32 0.00 0.00 176.35 173.89 2ctk s GLU 12 N 0.28 1.55 -0.14 1.98 2.12 -1.26 -4.64 118.70 118.59 2ctk s GLU 12 Ca -0.00 -0.27 -0.06 0.00 0.36 0.00 0.00 54.97 55.00 2ctk s GLU 12 Cb -0.04 -1.58 0.06 0.00 0.26 0.00 0.00 34.13 32.83 2ctk s GLU 12 CO 0.01 -0.24 0.31 0.00 -0.54 0.00 0.00 175.26 174.80 2ctk s ALA 13 N 1.62 -0.75 0.33 6.30 0.00 -1.26 -5.03 121.76 122.96 2ctk s ALA 13 Ca 0.03 1.17 0.12 0.00 0.00 0.00 0.00 51.96 53.28 2ctk s ALA 13 Cb -0.13 -0.92 0.98 0.00 0.00 0.00 0.00 23.12 23.05 2ctk s ALA 13 CO -0.07 -0.43 1.69 1.37 0.00 0.00 0.00 175.76 178.31 2ctk h LEU 14 N 7.67 0.55 -9.62 0.00 8.10 -2.05 -3.39 115.31 116.57 2ctk h LEU 14 Ca -0.28 0.17 -0.56 0.00 0.11 0.00 0.00 57.88 57.32 2ctk h LEU 14 Cb 1.14 0.10 -0.04 0.00 -0.44 0.00 0.00 40.66 41.42 2ctk h LEU 14 CO 0.24 -0.04 0.05 0.54 -4.11 0.00 0.00 178.44 175.13 2ctk s VAL 15 N -5.73 4.72 1.24 0.15 0.11 -1.26 -5.05 120.40 114.58 2ctk s VAL 15 Ca -0.10 1.40 -0.20 0.00 -2.93 0.00 0.00 61.98 60.14 2ctk s VAL 15 Cb 0.29 -4.00 0.30 0.00 -1.53 0.00 0.00 36.38 31.44 2ctk s VAL 15 CO 0.79 0.47 1.11 -2.16 -3.33 0.00 0.00 175.10 171.98 2ctk s PRO 16 N -0.62 -1.52 0.02 1.54 0.04 -1.26 -4.89 135.00 128.31 2ctk s PRO 16 Ca 0.33 -0.17 -0.08 0.00 0.04 0.00 0.00 61.00 61.12 2ctk s PRO 16 Cb -0.20 -1.57 -0.00 0.00 0.04 0.00 0.00 34.50 32.77 2ctk s PRO 16 CO 0.21 -3.89 0.15 0.14 0.04 0.00 0.00 177.00 173.65 2ctk s VAL 17 N -3.01 0.10 -0.08 -0.36 -7.23 -0.60 -4.87 120.40 104.34 2ctk s VAL 17 Ca 0.72 -0.85 -0.10 0.00 -1.81 0.00 0.00 61.98 59.94 2ctk s VAL 17 Cb -0.08 -0.71 -0.05 0.00 0.56 0.00 0.00 36.38 36.10 2ctk s VAL 17 CO 0.56 -0.47 0.23 -0.89 -0.31 0.00 0.00 175.10 174.21 2ctk s THR 18 N -2.08 5.35 0.39 5.32 2.01 -1.26 -1.12 115.64 124.26 2ctk s THR 18 Ca -0.09 0.42 0.01 0.00 0.31 0.00 0.00 61.69 62.33 2ctk s THR 18 Cb -0.04 -3.50 -0.00 0.00 0.01 0.00 0.00 72.50 68.97 2ctk s THR 18 CO -0.02 0.60 0.02 2.30 -0.69 0.00 0.00 174.62 176.83 2ctk n ILE 19 N 1.99 0.00 -4.32 1.82 -5.35 0.74 -4.94 119.36 109.30 2ctk n ILE 19 Ca -0.18 -1.93 -0.25 0.00 -0.27 0.00 0.00 62.75 60.12 2ctk n ILE 19 Cb 0.54 0.44 -0.17 0.00 -1.74 0.00 0.00 39.64 38.71 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 -3.43 1.62 -0.14 6.28 2.02 -1.26 -2.66 118.70 121.13 2ctk s GLU 20 Ca 0.03 -0.35 0.02 0.00 0.02 0.00 0.00 54.97 54.69 2ctk s GLU 20 Cb 0.00 -1.46 0.01 0.00 0.10 0.00 0.00 34.13 32.78 2ctk s GLU 20 CO 0.02 -0.08 -0.20 0.08 0.02 0.00 0.00 175.26 175.10 2ctk s VAL 21 N 1.05 2.26 -0.38 2.63 1.01 0.99 -4.95 120.40 123.01 2ctk s VAL 21 Ca -0.07 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 60.71 2ctk s VAL 21 Cb -0.15 -1.92 -0.00 0.00 0.00 0.00 0.00 36.38 34.32 2ctk s VAL 21 CO -0.01 0.54 1.55 -1.61 0.00 0.00 0.00 175.10 175.57 2ctk s GLU 22 N 0.79 3.50 -0.15 2.72 2.02 -1.26 -0.26 118.70 126.05 2ctk s GLU 22 Ca -0.07 1.12 -0.09 0.00 0.02 0.00 0.00 54.97 55.95 2ctk s GLU 22 Cb -0.16 -4.08 0.05 0.00 0.10 0.00 0.00 34.13 30.05 2ctk s GLU 22 CO -0.01 -1.65 0.37 0.08 0.02 0.00 0.00 175.26 174.07 2ctk s VAL 23 N 5.91 -0.03 0.18 2.63 1.01 0.99 -4.96 120.40 126.12 2ctk s VAL 23 Ca 0.68 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.45 2ctk s VAL 23 Cb -0.17 -0.55 -0.08 0.00 0.00 0.00 0.00 36.38 35.58 2ctk s VAL 23 CO 0.33 0.04 1.32 -2.16 0.00 0.00 0.00 175.10 174.63 2ctk s PRO 24 N 1.27 4.38 0.58 2.72 0.04 -1.26 -3.79 135.00 138.94 2ctk s PRO 24 Ca -0.09 2.04 0.34 0.00 0.04 0.00 0.00 61.00 63.34 2ctk s PRO 24 Cb -0.08 -3.21 1.87 0.00 0.04 0.00 0.00 34.50 33.12 2ctk s PRO 24 CO -0.11 -0.29 2.05 0.35 0.04 0.00 0.00 177.00 179.04 2ctk h PHE 25 N 5.70 0.00 0.00 0.56 3.04 -1.87 0.99 116.94 125.36 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 -0.25 -2.02 0.00 0.00 178.31 176.67 2ctk n ASP 26 N -2.80 0.40 -0.07 0.41 9.92 -1.26 -2.39 116.55 120.76 2ctk n ASP 26 Ca -0.02 0.62 -0.05 0.00 -0.53 0.00 0.00 54.79 54.80 2ctk n ASP 26 Cb 0.17 -0.70 -0.13 0.00 -0.64 0.00 0.00 41.12 39.82 2ctk n ASP 26 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2ctk n LEU 27 N -1.97 0.00 -0.24 0.64 4.77 0.34 -4.63 117.00 115.92 2ctk n LEU 27 Ca 0.02 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.90 2ctk n LEU 27 Cb 0.17 0.32 -0.08 0.00 -2.33 0.00 0.00 43.42 41.50 2ctk n LEU 27 CO 0.15 0.32 0.49 0.45 -1.33 0.00 0.00 177.39 177.47 2ctk h HIS 28 N 0.00 -1.49 -1.46 -1.77 3.86 -1.45 0.79 115.15 113.64 2ctk h HIS 28 Ca -0.35 0.09 0.43 0.00 -1.16 0.00 0.00 60.37 59.38 2ctk h HIS 28 Cb 1.77 0.73 -0.08 0.00 1.06 0.00 0.00 27.41 30.88 2ctk h HIS 28 CO 0.00 -0.35 1.01 0.07 0.86 0.00 0.00 177.93 179.52 2ctk h ARG 29 N -0.16 0.06 0.05 2.45 0.11 -1.82 1.31 114.38 116.39 2ctk h ARG 29 Ca 0.10 -0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.91 2ctk h ARG 29 Cb 0.41 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.45 2ctk h ARG 29 CO -0.64 0.04 -1.33 1.88 0.10 0.00 0.00 179.97 180.02 2ctk h TYR 30 N 0.06 0.20 0.24 4.08 0.05 0.14 -3.21 116.97 118.54 2ctk h TYR 30 Ca 0.76 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 59.38 2ctk h TYR 30 Cb 2.75 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 40.48 2ctk h TYR 30 CO -0.00 1.15 -0.12 0.28 -1.05 0.00 0.00 178.16 178.43 2ctk h VAL 31 N 0.03 0.09 -0.45 -2.88 2.07 0.48 -3.35 116.25 112.24 2ctk h VAL 31 Ca -0.15 -0.80 0.08 0.00 0.82 0.00 0.00 66.70 66.65 2ctk h VAL 31 Cb 1.92 0.15 -0.10 0.00 -1.52 0.00 0.00 31.29 31.74 2ctk h VAL 31 CO 0.14 0.02 -0.38 0.40 0.02 0.00 0.00 177.57 177.77 2ctk h ILE 32 N -1.07 0.15 -1.25 4.57 2.04 -0.65 -3.26 117.51 118.03 2ctk h ILE 32 Ca -0.03 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.97 2ctk h ILE 32 Cb 0.29 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 2ctk h ILE 32 CO 0.05 0.00 -0.33 0.61 0.00 0.00 0.00 178.15 178.49 2ctk n GLY 33 N -1.42 -2.16 3.69 5.37 0.00 -1.21 -2.23 105.19 107.23 2ctk n GLY 33 Ca 0.01 -1.35 -0.44 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.11 2.32 -4.12 1.61 7.27 -1.26 -1.86 117.38 118.23 2ctk n GLN 34 Ca -0.01 0.83 -0.32 0.00 0.07 0.00 0.00 57.00 57.57 2ctk n GLN 34 Cb 0.25 -2.59 -0.02 0.00 2.41 0.00 0.00 30.24 30.28 2ctk n GLN 34 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2ctk n LYS 35 N 3.03 -3.25 -4.16 3.69 3.00 -1.26 -1.37 118.16 117.84 2ctk n LYS 35 Ca 0.14 0.38 -0.30 0.00 -0.00 0.00 0.00 58.31 58.54 2ctk n LYS 35 Cb 0.32 -4.86 -0.08 0.00 0.00 0.00 0.00 35.03 30.41 2ctk n LYS 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ctk n GLY 36 N -1.67 -0.16 0.09 3.14 0.00 -0.77 -4.82 105.19 101.00 2ctk n GLY 36 Ca -0.08 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.56 0.88 0.07 1.61 7.64 -0.47 -2.83 113.62 117.95 2ctk n SER 37 Ca -0.29 0.31 -0.00 0.00 1.01 0.00 0.00 58.87 59.90 2ctk n SER 37 Cb 0.63 0.03 0.30 0.00 -1.01 0.00 0.00 64.21 64.16 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 3.31 0.38 0.71 0.23 0.00 -1.61 -3.17 103.07 102.92 2ctk h GLY 38 Ca -0.35 -0.26 -0.35 0.00 0.00 0.00 0.00 47.33 46.36 2ctk h GLY 38 CO 0.07 0.24 -1.92 -2.22 0.00 0.00 0.00 176.54 172.71 2ctk h ILE 39 N 0.32 0.69 -0.90 2.60 2.04 -1.61 -3.35 117.51 117.31 2ctk h ILE 39 Ca 0.06 -2.42 0.26 0.00 1.00 0.00 0.00 64.86 63.76 2ctk h ILE 39 Cb 0.50 2.52 -0.04 0.00 -0.74 0.00 0.00 36.82 39.06 2ctk h ILE 39 CO 0.03 0.83 0.88 0.03 0.00 0.00 0.00 178.15 179.92 2ctk h ARG 40 N 0.06 0.00 -0.26 2.37 2.47 -1.49 0.46 114.38 117.99 2ctk h ARG 40 Ca -0.39 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.28 2ctk h ARG 40 Cb 2.04 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 30.35 2ctk h ARG 40 CO 0.10 0.00 -0.03 1.57 0.56 0.00 0.00 179.97 182.17 2ctk h LYS 41 N 0.00 0.48 0.33 0.04 2.10 -1.69 -2.66 116.57 115.17 2ctk h LYS 41 Ca 0.43 -0.17 -0.02 0.00 -2.00 0.00 0.00 60.65 58.89 2ctk h LYS 41 Cb 2.17 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 33.47 2ctk h LYS 41 CO -0.00 0.67 -0.16 0.52 -2.00 0.00 0.00 179.45 178.48 2ctk h MET 42 N 0.25 -0.43 -1.00 0.07 2.86 -0.31 -0.25 114.93 116.12 2ctk h MET 42 Ca 0.07 0.03 0.29 0.00 -2.06 0.00 0.00 59.70 58.03 2ctk h MET 42 Cb 0.47 0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.19 2ctk h MET 42 CO 0.02 -0.11 0.84 0.52 1.06 0.00 0.00 176.91 179.25 2ctk h MET 43 N -0.88 0.00 0.12 1.72 2.86 -1.49 0.51 114.93 117.78 2ctk h MET 43 Ca -0.05 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.29 2ctk h MET 43 Cb 0.53 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 2ctk h MET 43 CO 0.08 0.00 -1.58 -0.44 1.06 0.00 0.00 176.91 176.03 2ctk h ASP 44 N 0.00 0.41 0.48 1.22 3.32 -1.34 -1.23 116.42 119.28 2ctk h ASP 44 Ca 0.47 -0.87 -0.02 0.00 0.02 0.00 0.00 57.03 56.63 2ctk h ASP 44 Cb 2.15 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 41.57 2ctk h ASP 44 CO -0.00 1.69 -0.23 -0.08 -1.72 0.00 0.00 179.24 178.89 2ctk h GLU 45 N -0.20 -0.63 -0.05 3.56 4.57 0.12 -3.10 114.58 118.87 2ctk h GLU 45 Ca -0.34 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 2ctk h GLU 45 Cb 1.85 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 30.58 2ctk h GLU 45 CO 0.07 -0.33 0.00 1.19 -1.18 0.00 0.00 179.01 178.76 2ctk n PHE 46 N -5.24 0.06 -4.15 0.92 3.72 0.15 -4.90 117.46 108.02 2ctk n PHE 46 Ca -0.10 -0.03 -0.33 0.00 -0.05 0.00 0.00 57.45 56.94 2ctk n PHE 46 Cb 0.30 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.82 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 -0.46 -3.24 -4.59 -1.08 1.02 -0.89 -4.89 120.64 106.51 2ctk n GLU 47 Ca 0.15 0.38 -0.30 0.00 -0.02 0.00 0.00 57.16 57.37 2ctk n GLU 47 Cb 0.15 -4.93 -0.07 0.00 -0.02 0.00 0.00 31.44 26.57 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 -4.41 0.00 -3.93 2.62 0.24 -0.51 -4.93 118.33 107.41 2ctk n VAL 48 Ca -0.03 -2.38 -0.29 0.00 -2.04 0.00 0.00 64.34 59.60 2ctk n VAL 48 Cb 0.55 0.58 -0.16 0.00 -1.47 0.00 0.00 33.84 33.33 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 -3.70 2.96 -0.16 -1.34 3.84 -0.70 -4.19 114.94 111.65 2ctk s ASN 49 Ca 0.05 -0.70 -0.10 0.00 0.21 0.00 0.00 52.86 52.33 2ctk s ASN 49 Cb 0.00 -1.02 -0.05 0.00 -0.55 0.00 0.00 41.25 39.64 2ctk s ASN 49 CO 0.04 -0.16 0.16 -0.63 -2.79 0.00 0.00 177.10 173.72 2ctk s ILE 50 N 1.56 5.42 -0.09 -5.21 1.01 -1.26 -0.29 121.20 122.33 2ctk s ILE 50 Ca 0.01 0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.96 2ctk s ILE 50 Cb -0.15 -3.48 -0.00 0.00 0.01 0.00 0.00 42.46 38.84 2ctk s ILE 50 CO -0.08 0.49 -0.24 -1.00 0.00 0.00 0.00 174.94 174.12 2ctk s HIS 51 N -0.10 2.49 -0.09 3.97 3.76 0.11 -5.01 115.29 120.43 2ctk s HIS 51 Ca 0.12 -0.96 -0.01 0.00 -0.15 0.00 0.00 55.06 54.06 2ctk s HIS 51 Cb -0.12 -1.66 -0.03 0.00 1.11 0.00 0.00 32.58 31.88 2ctk s HIS 51 CO 0.01 -0.37 -0.04 0.08 -0.85 0.00 0.00 174.74 173.57 2ctk s VAL 52 N 0.24 3.96 0.26 -0.90 1.01 -1.26 -1.88 120.40 121.83 2ctk s VAL 52 Ca -0.15 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 2ctk s VAL 52 Cb -0.17 -2.65 -0.09 0.00 0.00 0.00 0.00 36.38 33.46 2ctk s VAL 52 CO 0.08 0.59 1.26 -2.16 0.00 0.00 0.00 175.10 174.87 2ctk s PRO 53 N -0.70 4.43 0.84 2.72 0.04 -1.26 -5.00 135.00 136.08 2ctk s PRO 53 Ca 0.11 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 63.07 2ctk s PRO 53 Cb -0.11 -3.15 0.09 0.00 0.04 0.00 0.00 34.50 31.36 2ctk s PRO 53 CO 0.02 -0.13 1.07 0.00 0.04 0.00 0.00 177.00 177.99 2ctk n ALA 54 N 1.73 -0.56 0.45 8.56 0.00 -1.26 -4.85 120.51 124.58 2ctk n ALA 54 Ca 0.03 -0.40 0.09 0.00 0.00 0.00 0.00 53.44 53.15 2ctk n ALA 54 Cb 0.43 -2.17 0.38 0.00 0.00 0.00 0.00 19.45 18.09 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 -3.17 0.08 0.00 0.00 -0.04 -1.26 -1.98 135.00 128.62 2ctk n PRO 55 Ca 0.12 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 64.03 2ctk n PRO 55 Cb 0.51 -1.65 0.32 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.80 0.27 -0.04 0.54 0.28 -1.26 -3.84 120.64 114.79 2ctk n GLU 56 Ca 0.03 -0.15 -0.03 0.00 -0.16 0.00 0.00 57.16 56.85 2ctk n GLU 56 Cb 0.19 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.42 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 -1.24 0.25 -3.30 -1.84 4.77 -0.84 -4.99 117.00 109.81 2ctk n LEU 57 Ca 0.08 0.11 -0.24 0.00 -0.03 0.00 0.00 56.01 55.93 2ctk n LEU 57 Cb 0.34 0.26 0.05 0.00 -2.33 0.00 0.00 43.42 41.74 2ctk n LEU 57 CO 0.32 0.29 0.08 0.00 -1.33 0.00 0.00 177.39 176.75 2ctk n GLN 58 N -2.68 -5.84 -3.36 3.23 6.02 -1.21 -4.97 117.38 108.58 2ctk n GLN 58 Ca -0.20 0.83 -0.38 0.00 -0.01 0.00 0.00 57.00 57.24 2ctk n GLN 58 Cb 0.94 -5.75 -0.06 0.00 1.02 0.00 0.00 30.24 26.39 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 -2.95 6.93 -0.22 1.08 0.15 -1.26 -4.98 113.70 112.45 2ctk s SER 59 Ca 0.43 1.10 0.15 0.00 0.70 0.00 0.00 55.95 58.33 2ctk s SER 59 Cb -0.20 -2.31 0.62 0.00 -1.71 0.00 0.00 66.02 62.42 2ctk s SER 59 CO 0.53 0.26 1.55 0.47 1.20 0.00 0.00 173.24 177.25 2ctk n ASP 60 N 2.00 4.32 -4.02 5.45 9.92 -1.26 -4.42 116.55 128.54 2ctk n ASP 60 Ca -0.11 -3.09 -0.31 0.00 -0.53 0.00 0.00 54.79 50.75 2ctk n ASP 60 Cb 0.51 -0.61 -0.16 0.00 -0.64 0.00 0.00 41.12 40.22 2ctk n ASP 60 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2ctk s ILE 61 N -2.88 1.69 0.01 0.53 -1.09 -1.25 -0.01 121.20 118.21 2ctk s ILE 61 Ca 0.47 -0.89 -0.19 0.00 -2.23 0.00 0.00 60.65 57.81 2ctk s ILE 61 Cb 0.38 -1.67 -0.06 0.00 -1.58 0.00 0.00 42.46 39.53 2ctk s ILE 61 CO 0.10 0.31 0.54 -0.63 -1.23 0.00 0.00 174.94 174.03 2ctk s ILE 62 N 1.40 4.89 -0.22 2.92 1.01 0.64 -4.64 121.20 127.20 2ctk s ILE 62 Ca 0.01 1.14 -0.11 0.00 0.00 0.00 0.00 60.65 61.70 2ctk s ILE 62 Cb -0.15 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.40 2ctk s ILE 62 CO -0.10 0.49 0.18 0.00 0.00 0.00 0.00 174.94 175.51 2ctk s ALA 63 N -0.60 3.63 -0.12 9.38 0.00 -0.79 -0.01 121.76 133.25 2ctk s ALA 63 Ca 0.29 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.49 2ctk s ALA 63 Cb -0.18 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.63 2ctk s ALA 63 CO 0.17 -0.10 -0.22 0.42 0.00 0.00 0.00 175.76 176.03 2ctk s ILE 64 N 0.87 2.15 -0.05 0.00 1.01 -1.09 0.09 121.20 124.17 2ctk s ILE 64 Ca 0.09 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.75 2ctk s ILE 64 Cb -0.13 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 2ctk s ILE 64 CO 0.03 0.55 0.06 -0.89 0.00 0.00 0.00 174.94 174.69 2ctk s THR 65 N 0.51 4.67 0.00 2.92 2.01 0.60 -0.19 115.64 126.17 2ctk s THR 65 Ca -0.14 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 61.60 2ctk s THR 65 Cb -0.17 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.28 2ctk s THR 65 CO 0.05 0.49 0.00 0.61 -0.69 0.00 0.00 174.62 175.08 2ctk n GLY 66 N 1.67 2.22 3.77 4.40 0.00 -0.28 -1.72 105.19 115.25 2ctk n GLY 66 Ca -0.16 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 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 4.36 0.36 0.99 1.43 -1.26 -1.56 118.68 123.00 2ctk s LEU 67 Ca 0.00 2.88 0.26 0.00 -1.03 0.00 0.00 54.13 56.25 2ctk s LEU 67 Cb 0.00 -3.65 1.24 0.00 0.03 0.00 0.00 46.19 43.81 2ctk s LEU 67 CO 0.00 -0.77 1.31 0.00 0.23 0.00 0.00 176.35 177.12 2ctk n ALA 68 N 1.14 1.12 -0.03 4.21 0.00 -1.26 0.15 120.51 125.85 2ctk n ALA 68 Ca 0.03 0.74 -0.13 0.00 0.00 0.00 0.00 53.44 54.08 2ctk n ALA 68 Cb 0.40 -0.89 -0.09 0.00 0.00 0.00 0.00 19.45 18.87 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 1.36 0.06 -0.32 0.00 0.00 -1.88 -3.04 119.26 115.44 2ctk h ALA 69 Ca 0.74 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 55.34 2ctk h ALA 69 Cb 2.34 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 20.11 2ctk h ALA 69 CO -0.41 -0.16 0.04 -0.91 0.00 0.00 0.00 179.25 177.81 2ctk h ASN 70 N -0.36 0.53 -0.99 0.00 2.35 0.11 -2.80 115.58 114.42 2ctk h ASN 70 Ca 0.01 -0.27 0.24 0.00 -0.55 0.00 0.00 56.30 55.73 2ctk h ASN 70 Cb 0.54 -0.14 -0.08 0.00 0.05 0.00 0.00 38.32 38.69 2ctk h ASN 70 CO 0.01 0.67 0.65 -0.07 -1.65 0.00 0.00 177.43 177.03 2ctk h LEU 71 N 0.37 0.43 0.12 1.61 3.38 -0.70 0.08 115.31 120.61 2ctk h LEU 71 Ca 0.10 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2ctk h LEU 71 Cb 0.37 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2ctk h LEU 71 CO 0.01 0.12 -0.06 0.44 0.09 0.00 0.00 178.44 179.04 2ctk h ASP 72 N 0.41 -0.14 0.75 -0.43 3.32 -1.37 0.71 116.42 119.66 2ctk h ASP 72 Ca 0.54 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.35 2ctk h ASP 72 Cb 1.37 0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.97 2ctk h ASP 72 CO -0.24 0.13 -0.36 0.03 -1.72 0.00 0.00 179.24 177.07 2ctk h ARG 73 N -0.41 -0.97 0.48 3.56 3.08 -1.08 -0.88 114.38 118.15 2ctk h ARG 73 Ca -0.02 0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 2ctk h ARG 73 Cb 0.33 0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2ctk h ARG 73 CO 0.03 -0.64 -0.44 0.00 -1.07 0.00 0.00 179.97 177.84 2ctk h ALA 74 N -0.81 -1.12 -0.91 0.04 0.00 -1.12 -1.06 119.26 114.27 2ctk h ALA 74 Ca -0.10 -0.17 0.25 0.00 0.00 0.00 0.00 54.91 54.88 2ctk h ALA 74 Cb 0.78 0.66 -0.14 0.00 0.00 0.00 0.00 17.79 19.10 2ctk h ALA 74 CO 0.17 -1.14 0.37 -0.22 0.00 0.00 0.00 179.25 178.43 2ctk h LYS 75 N -0.91 0.31 -0.08 0.00 3.64 -0.90 0.87 116.57 119.49 2ctk h LYS 75 Ca -0.06 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 2ctk h LYS 75 Cb 0.78 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 2ctk h LYS 75 CO -0.04 0.20 -0.20 0.00 -2.27 0.00 0.00 179.45 177.15 2ctk h ALA 76 N 1.77 1.53 -0.07 5.00 0.00 -0.68 -1.97 119.26 124.84 2ctk h ALA 76 Ca 0.59 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 55.16 2ctk h ALA 76 Cb 1.21 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.94 2ctk h ALA 76 CO -0.59 0.34 -0.44 0.78 0.00 0.00 0.00 179.25 179.34 2ctk h GLY 77 N 0.76 0.46 0.82 0.00 0.00 0.20 -3.14 103.07 102.18 2ctk h GLY 77 Ca 0.02 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 2ctk h GLY 77 CO 0.03 0.61 -0.10 -2.00 0.00 0.00 0.00 176.54 175.07 2ctk h LEU 78 N -0.05 -0.24 -0.72 3.11 5.85 -1.05 -1.48 115.31 120.74 2ctk h LEU 78 Ca -0.04 -0.13 0.14 0.00 0.84 0.00 0.00 57.88 58.70 2ctk h LEU 78 Cb 1.11 0.06 -0.14 0.00 0.37 0.00 0.00 40.66 42.06 2ctk h LEU 78 CO 0.09 -0.01 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.93 2ctk h LEU 79 N -0.46 -0.66 -0.66 2.25 3.38 -1.48 0.42 115.31 118.10 2ctk h LEU 79 Ca -0.03 0.21 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 2ctk h LEU 79 Cb 0.35 0.44 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 2ctk h LEU 79 CO 0.05 -0.24 0.15 -0.33 0.09 0.00 0.00 178.44 178.16 2ctk h GLU 80 N 0.00 1.06 -0.50 1.13 5.08 -1.48 -1.68 114.58 118.19 2ctk h GLU 80 Ca 0.34 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2ctk h GLU 80 Cb 0.53 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2ctk h GLU 80 CO -0.74 0.95 0.14 -0.09 -1.00 0.00 0.00 179.01 178.28 2ctk h ARG 81 N 0.98 0.74 0.00 2.33 9.65 0.43 -2.05 114.38 126.46 2ctk h ARG 81 Ca 0.20 -0.13 -0.00 0.00 -1.10 0.00 0.00 59.98 58.95 2ctk h ARG 81 Cb 0.38 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 2ctk h ARG 81 CO 0.00 0.66 -0.00 0.28 2.80 0.00 0.00 179.97 183.71 2ctk h VAL 82 N 0.72 1.40 -0.63 0.20 2.07 -0.02 0.12 116.25 120.11 2ctk h VAL 82 Ca 0.17 -1.19 0.10 0.00 0.82 0.00 0.00 66.70 66.60 2ctk h VAL 82 Cb 0.24 2.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 2ctk h VAL 82 CO -0.01 0.31 0.42 0.11 0.02 0.00 0.00 177.57 178.43 2ctk h LYS 83 N -0.51 0.42 0.00 1.57 1.57 -1.19 -0.51 116.57 117.91 2ctk h LYS 83 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2ctk h LYS 83 Cb 0.51 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 2ctk h LYS 83 CO 0.00 0.28 -0.06 1.49 -0.57 0.00 0.00 179.45 180.59 2ctk h GLU 84 N 0.43 0.00 -0.96 3.15 4.57 -1.32 -2.65 114.58 117.79 2ctk h GLU 84 Ca 0.29 0.00 0.20 0.00 -1.18 0.00 0.00 59.36 58.68 2ctk h GLU 84 Cb 0.58 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.08 2ctk h GLU 84 CO -0.09 0.82 0.61 -0.07 -1.18 0.00 0.00 179.01 179.11 2ctk h LEU 85 N -1.00 0.56 0.00 1.64 3.38 -0.44 0.51 115.31 119.97 2ctk h LEU 85 Ca -0.01 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2ctk h LEU 85 Cb 0.84 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2ctk h LEU 85 CO -0.01 0.21 -0.36 0.06 0.09 0.00 0.00 178.44 178.43 2ctk h GLN 86 N 0.55 0.00 0.00 1.13 3.07 -1.21 -2.29 115.11 116.36 2ctk h GLN 86 Ca 0.53 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 59.23 2ctk h GLN 86 Cb 1.10 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.65 2ctk h GLN 86 CO -0.26 0.29 -0.59 0.00 0.09 0.00 0.00 178.83 178.35 2ctk h ALA 87 N 1.70 0.74 0.11 0.06 0.00 0.18 -3.08 119.26 118.97 2ctk h ALA 87 Ca -0.01 -0.18 -0.36 0.00 0.00 0.00 0.00 54.91 54.37 2ctk h ALA 87 Cb 1.23 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2ctk h ALA 87 CO 0.04 0.21 -1.98 -0.85 0.00 0.00 0.00 179.25 176.67 2ctk n GLU 88 N -2.95 0.75 0.17 0.00 0.28 0.11 -3.14 120.64 115.85 2ctk n GLU 88 Ca 0.01 0.27 0.13 0.00 -0.16 0.00 0.00 57.16 57.41 2ctk n GLU 88 Cb 0.61 -1.70 0.51 0.00 1.43 0.00 0.00 31.44 32.29 2ctk n GLU 88 CO 0.00 0.00 0.00 -0.56 -0.16 0.00 0.00 177.13 176.41 2ctk h GLN 89 N 0.01 0.00 0.08 3.44 -0.00 -1.55 -3.02 115.11 114.06 2ctk h GLN 89 Ca -0.43 0.00 -0.34 0.00 -0.00 0.00 0.00 58.65 57.88 2ctk h GLN 89 Cb 1.99 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 29.44 2ctk h GLN 89 CO 0.06 0.00 -1.93 -0.85 -0.00 0.00 0.00 178.83 176.11 2ctk n GLU 90 N -2.48 0.71 -0.19 0.06 0.28 -1.16 -2.69 120.64 115.17 2ctk n GLU 90 Ca 0.02 0.26 -0.05 0.00 -0.16 0.00 0.00 57.16 57.23 2ctk n GLU 90 Cb 0.29 -1.72 0.04 0.00 1.43 0.00 0.00 31.44 31.48 2ctk n GLU 90 CO 0.00 0.00 0.00 0.38 -0.16 0.00 0.00 177.13 177.35 2ctk h ASP 91 N 0.04 0.54 0.19 -1.84 3.04 -1.47 0.26 116.42 117.19 2ctk h ASP 91 Ca -0.39 0.00 -0.31 0.00 -3.24 0.00 0.00 57.03 53.09 2ctk h ASP 91 Cb 2.03 -0.11 0.03 0.00 -1.04 0.00 0.00 39.33 40.24 2ctk h ASP 91 CO 0.08 0.38 -1.34 0.08 -2.04 0.00 0.00 179.24 176.40 2ctk h ARG 92 N 0.66 0.56 -0.53 4.15 0.11 -1.72 -3.33 114.38 114.29 2ctk h ARG 92 Ca 0.22 -0.87 -0.00 0.00 0.10 0.00 0.00 59.98 59.43 2ctk h ARG 92 Cb 0.02 0.31 -0.03 0.00 1.11 0.00 0.00 29.97 31.38 2ctk h ARG 92 CO -0.09 1.41 0.33 0.00 0.10 0.00 0.00 179.97 181.71 2ctk h ALA 93 N 0.20 0.68 -1.02 0.08 0.00 -1.33 -2.64 119.26 115.22 2ctk h ALA 93 Ca -0.22 -0.06 0.40 0.00 0.00 0.00 0.00 54.91 55.02 2ctk h ALA 93 Cb 2.03 -0.22 -0.15 0.00 0.00 0.00 0.00 17.79 19.46 2ctk h ALA 93 CO 0.25 0.16 0.60 -0.11 0.00 0.00 0.00 179.25 180.15 2ctk n LEU 94 N -4.67 0.27 -0.31 0.00 7.94 0.90 -0.85 117.00 120.28 2ctk n LEU 94 Ca 0.03 1.40 -0.06 0.00 -1.11 0.00 0.00 56.01 56.27 2ctk n LEU 94 Cb 0.05 -0.68 -0.04 0.00 0.53 0.00 0.00 43.42 43.27 2ctk n LEU 94 CO 0.36 -1.55 0.38 0.54 -1.11 0.00 0.00 177.39 176.01 2ctk n ARG 95 N -4.83 -0.28 -3.34 1.96 1.74 -1.00 -3.60 116.66 107.30 2ctk n ARG 95 Ca 0.35 1.14 -0.42 0.00 -0.77 0.00 0.00 57.85 58.15 2ctk n ARG 95 Cb 1.25 -1.68 -0.09 0.00 -1.02 0.00 0.00 32.46 30.92 2ctk n ARG 95 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2ctk s SER 96 N -5.34 6.20 -0.08 0.55 1.04 -0.03 -5.06 113.70 110.98 2ctk s SER 96 Ca -0.09 -0.51 0.04 0.00 0.48 0.00 0.00 55.95 55.87 2ctk s SER 96 Cb 0.10 -2.22 -0.01 0.00 0.10 0.00 0.00 66.02 63.99 2ctk s SER 96 CO 0.49 -0.50 -0.20 0.12 0.98 0.00 0.00 173.24 174.13 2ctk s PHE 97 N 2.11 2.60 -0.01 5.02 5.36 -1.24 -5.00 117.98 126.82 2ctk s PHE 97 Ca 0.12 -0.61 -0.00 0.00 -0.96 0.00 0.00 56.93 55.48 2ctk s PHE 97 Cb -0.17 -1.68 -0.01 0.00 -0.34 0.00 0.00 43.02 40.82 2ctk s PHE 97 CO 0.13 -0.15 -0.02 1.17 -1.46 0.00 0.00 175.22 174.90 2ctk n LYS 98 N 3.01 0.03 -0.35 10.12 4.81 -1.26 -4.75 118.16 129.78 2ctk n LYS 98 Ca -0.18 0.01 0.06 0.00 -0.87 0.00 0.00 58.31 57.34 2ctk n LYS 98 Cb 0.52 -0.85 0.14 0.00 0.02 0.00 0.00 35.03 34.87 2ctk n LYS 98 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 2ctk h SER 99 N -0.02 -0.88 -3.11 3.14 0.02 -2.04 -3.38 113.55 107.27 2ctk h SER 99 Ca -0.03 0.29 -0.59 0.00 -0.84 0.00 0.00 61.79 60.62 2ctk h SER 99 Cb 1.04 0.60 -0.04 0.00 0.14 0.00 0.00 62.40 64.14 2ctk h SER 99 CO -0.01 -0.32 -0.27 -0.83 -1.14 0.00 0.00 176.83 174.25 2ctk s GLY 100 N -4.22 2.31 0.69 -3.77 0.00 -1.26 -5.08 107.32 95.98 2ctk s GLY 100 Ca -0.15 -0.43 -0.14 0.00 0.00 0.00 0.00 44.72 44.00 2ctk s GLY 100 CO 0.78 -0.25 1.11 2.56 0.00 0.00 0.00 173.10 177.29 2ctk s PRO 101 N -2.09 2.67 -0.18 2.90 0.04 -1.26 -4.99 135.00 132.09 2ctk s PRO 101 Ca 0.35 1.34 -0.13 0.00 0.04 0.00 0.00 61.00 62.59 2ctk s PRO 101 Cb -0.13 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 2ctk s PRO 101 CO 0.19 -1.35 -0.29 0.45 0.04 0.00 0.00 177.00 176.04 2ctk n SER 102 N -2.68 1.71 -4.78 6.66 2.88 -1.26 -4.98 113.62 111.16 2ctk n SER 102 Ca 0.10 0.29 -0.39 0.00 -1.33 0.00 0.00 58.87 57.54 2ctk n SER 102 Cb 0.52 -0.67 -0.06 0.00 -0.75 0.00 0.00 64.21 63.25 2ctk n SER 102 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2ctk s SER 103 N -6.51 7.05 0.00 -3.46 0.01 -1.26 -5.30 113.70 104.23 2ctk s SER 103 Ca -0.28 1.24 0.00 0.00 1.31 0.00 0.00 55.95 58.22 2ctk s SER 103 Cb 0.08 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.94 2ctk s SER 103 CO 0.38 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.82