#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 -1.29 -0.01 1.61 0.15 -1.26 -5.16 113.70 107.74 2ctk s SER 2 Ca 0.00 0.91 0.01 0.00 0.70 0.00 0.00 55.95 57.57 2ctk s SER 2 Cb 0.00 2.13 0.00 0.00 -1.71 0.00 0.00 66.02 66.44 2ctk s SER 2 CO 0.00 -0.24 -0.03 -0.55 1.20 0.00 0.00 173.24 173.62 2ctk s SER 3 N 2.87 0.43 0.00 5.45 0.15 -1.26 -5.12 113.70 116.22 2ctk s SER 3 Ca 0.16 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.76 2ctk s SER 3 Cb -0.14 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 2ctk s SER 3 CO -0.20 0.01 0.00 0.61 1.20 0.00 0.00 173.24 174.86 2ctk n GLY 4 N 3.25 4.17 3.85 9.45 0.00 -1.26 -5.15 105.19 119.50 2ctk n GLY 4 Ca -0.16 -1.35 -0.24 0.00 0.00 0.00 0.00 46.02 44.27 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 0.00 4.73 -0.19 1.61 0.15 -1.26 -5.08 113.70 113.66 2ctk s SER 5 Ca 0.00 -1.02 -0.19 0.00 0.70 0.00 0.00 55.95 55.45 2ctk s SER 5 Cb 0.00 -0.19 -0.16 0.00 -1.71 0.00 0.00 66.02 63.96 2ctk s SER 5 CO 0.00 -0.79 0.13 0.28 1.20 0.00 0.00 173.24 174.07 2ctk h SER 6 N 1.04 0.00 0.00 5.45 0.02 -2.08 -3.51 113.55 114.47 2ctk h SER 6 Ca -0.40 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.15 2ctk h SER 6 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2ctk h SER 6 CO 0.61 1.33 0.00 0.61 -1.14 0.00 0.00 176.83 178.24 2ctk n GLY 7 N 1.47 -0.41 3.40 -3.77 0.00 -1.26 -4.99 105.19 99.64 2ctk n GLY 7 Ca -0.27 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 43.90 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 0.00 0.55 -0.29 1.61 -2.85 -1.26 -5.16 119.74 112.34 2ctk s LYS 8 Ca 0.00 0.78 -0.22 0.00 -1.00 0.00 0.00 55.97 55.53 2ctk s LYS 8 Cb 0.00 0.19 0.14 0.00 -2.06 0.00 0.00 37.83 36.11 2ctk s LYS 8 CO 0.00 -0.10 1.10 -1.83 0.10 0.00 0.00 175.35 174.62 2ctk s GLU 9 N 0.71 0.37 -0.30 1.78 -1.05 -1.26 -5.16 118.70 113.79 2ctk s GLU 9 Ca -0.04 0.50 -0.07 0.00 -0.15 0.00 0.00 54.97 55.22 2ctk s GLU 9 Cb -0.05 0.15 0.16 0.00 -0.44 0.00 0.00 34.13 33.95 2ctk s GLU 9 CO -0.05 -0.05 0.68 0.00 0.95 0.00 0.00 175.26 176.78 2ctk s ALA 10 N 0.52 -2.26 -0.08 -0.84 0.00 -1.26 -5.16 121.76 112.69 2ctk s ALA 10 Ca 0.00 2.08 -0.04 0.00 0.00 0.00 0.00 51.96 54.00 2ctk s ALA 10 Cb -0.05 -2.00 0.04 0.00 0.00 0.00 0.00 23.12 21.11 2ctk s ALA 10 CO -0.10 -1.12 0.18 -1.17 0.00 0.00 0.00 175.76 173.55 2ctk s LEU 11 N 2.85 0.74 -0.16 0.00 2.96 -1.26 -5.14 118.68 118.68 2ctk s LEU 11 Ca 0.06 0.38 0.00 0.00 -0.22 0.00 0.00 54.13 54.35 2ctk s LEU 11 Cb -0.13 0.52 0.02 0.00 0.50 0.00 0.00 46.19 47.11 2ctk s LEU 11 CO -0.19 -0.14 -0.14 -1.83 -1.32 0.00 0.00 176.35 172.73 2ctk s GLU 12 N 0.99 2.28 -0.06 1.98 -1.05 -1.26 -5.05 118.70 116.53 2ctk s GLU 12 Ca -0.07 -0.60 -0.03 0.00 -0.15 0.00 0.00 54.97 54.12 2ctk s GLU 12 Cb -0.09 -2.16 0.04 0.00 -0.44 0.00 0.00 34.13 31.48 2ctk s GLU 12 CO -0.06 -0.26 0.13 0.00 0.95 0.00 0.00 175.26 176.02 2ctk s ALA 13 N 1.47 -0.11 0.19 -0.84 0.00 -1.26 -5.03 121.76 116.18 2ctk s ALA 13 Ca 0.04 0.52 -0.08 0.00 0.00 0.00 0.00 51.96 52.43 2ctk s ALA 13 Cb -0.13 -0.60 0.10 0.00 0.00 0.00 0.00 23.12 22.49 2ctk s ALA 13 CO -0.10 -0.37 1.68 -0.07 0.00 0.00 0.00 175.76 176.89 2ctk h LEU 14 N 7.88 1.06 -9.72 0.00 4.07 -2.04 -3.43 115.31 113.12 2ctk h LEU 14 Ca -0.27 -0.27 -0.51 0.00 0.08 0.00 0.00 57.88 56.91 2ctk h LEU 14 Cb 1.12 -0.28 0.01 0.00 1.08 0.00 0.00 40.66 42.59 2ctk h LEU 14 CO 0.28 1.07 0.48 0.54 -1.08 0.00 0.00 178.44 179.73 2ctk s VAL 15 N -5.13 3.67 1.19 1.22 0.11 -1.26 -4.97 120.40 115.23 2ctk s VAL 15 Ca -0.12 1.53 -0.19 0.00 -2.93 0.00 0.00 61.98 60.28 2ctk s VAL 15 Cb 0.14 -3.98 0.28 0.00 -1.53 0.00 0.00 36.38 31.30 2ctk s VAL 15 CO 0.85 0.31 1.11 -2.16 -3.33 0.00 0.00 175.10 171.88 2ctk s PRO 16 N -0.82 -1.13 -0.01 1.54 0.04 -1.26 -4.86 135.00 128.50 2ctk s PRO 16 Ca 0.48 -0.04 -0.12 0.00 0.04 0.00 0.00 61.00 61.36 2ctk s PRO 16 Cb -0.31 -1.60 0.01 0.00 0.04 0.00 0.00 34.50 32.64 2ctk s PRO 16 CO 0.38 -3.66 0.24 0.14 0.04 0.00 0.00 177.00 174.14 2ctk s VAL 17 N -3.01 0.07 -0.08 -0.36 -7.23 0.53 -4.86 120.40 105.47 2ctk s VAL 17 Ca 0.71 -0.54 -0.15 0.00 -1.81 0.00 0.00 61.98 60.18 2ctk s VAL 17 Cb -0.10 -0.54 -0.05 0.00 0.56 0.00 0.00 36.38 36.25 2ctk s VAL 17 CO 0.56 -0.30 0.39 -0.89 -0.31 0.00 0.00 175.10 174.56 2ctk s THR 18 N -1.30 5.16 0.53 5.32 2.01 -1.26 -1.89 115.64 124.21 2ctk s THR 18 Ca -0.14 0.79 0.01 0.00 0.31 0.00 0.00 61.69 62.66 2ctk s THR 18 Cb -0.06 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.74 2ctk s THR 18 CO 0.03 0.46 0.09 2.30 -0.69 0.00 0.00 174.62 176.81 2ctk n ILE 19 N 2.82 0.00 -4.34 1.82 -5.35 -0.04 -4.92 119.36 109.33 2ctk n ILE 19 Ca -0.11 -2.42 -0.23 0.00 -0.27 0.00 0.00 62.75 59.72 2ctk n ILE 19 Cb 0.52 0.38 -0.16 0.00 -1.74 0.00 0.00 39.64 38.64 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 -3.99 1.28 -0.05 6.28 2.02 -1.26 -2.51 118.70 120.47 2ctk s GLU 20 Ca 0.07 -0.26 0.06 0.00 0.02 0.00 0.00 54.97 54.87 2ctk s GLU 20 Cb -0.01 -1.15 -0.01 0.00 0.10 0.00 0.00 34.13 33.06 2ctk s GLU 20 CO 0.05 -0.04 -0.25 0.08 0.02 0.00 0.00 175.26 175.11 2ctk s VAL 21 N 0.85 2.09 -0.57 2.63 1.01 0.55 -4.95 120.40 122.02 2ctk s VAL 21 Ca -0.12 -1.06 -0.28 0.00 0.00 0.00 0.00 61.98 60.52 2ctk s VAL 21 Cb -0.15 -1.75 0.03 0.00 0.00 0.00 0.00 36.38 34.51 2ctk s VAL 21 CO 0.01 0.57 1.24 -1.61 0.00 0.00 0.00 175.10 175.32 2ctk s GLU 22 N -0.28 3.49 -0.08 2.72 2.02 -1.26 -1.16 118.70 124.15 2ctk s GLU 22 Ca -0.00 0.33 -0.03 0.00 0.02 0.00 0.00 54.97 55.29 2ctk s GLU 22 Cb -0.13 -4.03 0.04 0.00 0.10 0.00 0.00 34.13 30.11 2ctk s GLU 22 CO 0.03 -1.71 0.16 0.08 0.02 0.00 0.00 175.26 173.84 2ctk s VAL 23 N 5.16 -0.11 0.17 2.63 1.01 0.01 -4.97 120.40 124.31 2ctk s VAL 23 Ca 0.46 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.35 2ctk s VAL 23 Cb -0.08 -0.28 -0.08 0.00 0.00 0.00 0.00 36.38 35.94 2ctk s VAL 23 CO 0.26 0.09 1.32 -2.16 0.00 0.00 0.00 175.10 174.61 2ctk s PRO 24 N 1.46 4.37 0.54 2.72 0.04 -1.26 -3.97 135.00 138.90 2ctk s PRO 24 Ca -0.06 2.04 0.25 0.00 0.04 0.00 0.00 61.00 63.26 2ctk s PRO 24 Cb -0.12 -3.22 1.42 0.00 0.04 0.00 0.00 34.50 32.63 2ctk s PRO 24 CO -0.06 -0.30 2.02 0.35 0.04 0.00 0.00 177.00 179.04 2ctk h PHE 25 N 5.86 0.00 0.00 0.56 3.04 -1.87 0.98 116.94 125.51 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 0.16 -0.44 -2.02 0.00 0.00 178.31 176.65 2ctk h ASP 26 N 0.00 0.00 0.00 0.41 5.19 -1.95 -0.38 116.42 119.69 2ctk h ASP 26 Ca 0.21 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.27 2ctk h ASP 26 Cb 0.87 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.31 2ctk h ASP 26 CO -0.00 0.00 -2.31 0.18 -3.12 0.00 0.00 179.24 173.98 2ctk n LEU 27 N -2.69 0.25 -0.37 1.55 4.77 0.33 -4.56 117.00 116.28 2ctk n LEU 27 Ca -0.02 -0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.86 2ctk n LEU 27 Cb 0.21 0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 41.60 2ctk n LEU 27 CO 0.13 0.51 0.51 0.45 -1.33 0.00 0.00 177.39 177.67 2ctk h HIS 28 N 0.00 -1.64 -1.17 -1.77 3.86 -0.96 0.80 115.15 114.28 2ctk h HIS 28 Ca -0.52 0.12 0.42 0.00 -1.16 0.00 0.00 60.37 59.23 2ctk h HIS 28 Cb 2.15 0.84 -0.15 0.00 1.06 0.00 0.00 27.41 31.31 2ctk h HIS 28 CO 0.00 -0.39 0.70 0.07 0.86 0.00 0.00 177.93 179.17 2ctk h ARG 29 N -0.05 0.07 0.22 2.45 0.11 -1.80 0.68 114.38 116.06 2ctk h ARG 29 Ca 0.20 -0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.95 2ctk h ARG 29 Cb 0.48 -0.02 0.03 0.00 1.11 0.00 0.00 29.97 31.57 2ctk h ARG 29 CO -0.90 0.05 -1.47 1.88 0.10 0.00 0.00 179.97 179.62 2ctk h TYR 30 N 0.07 0.83 0.58 4.08 0.05 0.20 -3.02 116.97 119.76 2ctk h TYR 30 Ca 0.83 -0.61 -0.02 0.00 0.05 0.00 0.00 58.73 58.98 2ctk h TYR 30 Cb 2.37 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 40.08 2ctk h TYR 30 CO -0.01 1.57 -0.33 0.28 -1.05 0.00 0.00 178.16 178.62 2ctk h VAL 31 N 0.04 0.32 0.15 -2.88 2.07 0.30 -3.15 116.25 113.11 2ctk h VAL 31 Ca -0.27 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.26 2ctk h VAL 31 Cb 2.06 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 2ctk h VAL 31 CO 0.22 0.00 -0.21 0.40 0.02 0.00 0.00 177.57 178.01 2ctk h ILE 32 N -0.85 0.54 -1.40 4.57 2.04 -0.82 -3.25 117.51 118.35 2ctk h ILE 32 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2ctk h ILE 32 Cb 0.68 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2ctk h ILE 32 CO 0.09 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.85 2ctk n GLY 33 N -1.33 -0.82 3.74 5.37 0.00 -1.14 -2.98 105.19 108.02 2ctk n GLY 33 Ca -0.07 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 2ctk n GLY 33 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ctk s GLN 34 N 0.00 4.42 -1.42 1.61 -2.07 -1.26 -3.42 119.66 117.52 2ctk s GLN 34 Ca 0.00 2.01 -0.00 0.00 -1.82 0.00 0.00 55.36 55.55 2ctk s GLN 34 Cb 0.00 -3.20 0.00 0.00 -1.09 0.00 0.00 33.01 28.72 2ctk s GLN 34 CO 0.00 -0.19 0.01 1.63 -1.32 0.00 0.00 175.29 175.42 2ctk n LYS 35 N 2.44 -0.94 -4.15 9.60 5.02 -1.26 0.25 118.16 129.13 2ctk n LYS 35 Ca 0.05 0.08 -0.32 0.00 -2.02 0.00 0.00 58.31 56.10 2ctk n LYS 35 Cb 0.43 -3.28 -0.08 0.00 -0.02 0.00 0.00 35.03 32.08 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 -2.46 -0.21 0.17 0.72 0.00 -1.22 -4.84 105.19 97.35 2ctk n GLY 36 Ca -0.30 0.12 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 2ctk n GLY 36 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2ctk h SER 37 N -1.16 -0.32 -0.92 1.61 0.02 -0.10 0.13 113.55 112.81 2ctk h SER 37 Ca -0.56 0.01 0.26 0.00 -0.84 0.00 0.00 61.79 60.67 2ctk h SER 37 Cb 1.23 0.08 -0.15 0.00 0.14 0.00 0.00 62.40 63.71 2ctk h SER 37 CO 0.70 -0.02 0.34 1.23 -1.14 0.00 0.00 176.83 177.94 2ctk h GLY 38 N -0.81 1.59 0.35 -3.77 0.00 -1.75 -0.86 103.07 97.81 2ctk h GLY 38 Ca -0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 2ctk h GLY 38 CO 0.06 -0.42 -0.14 -2.22 0.00 0.00 0.00 176.54 173.83 2ctk h ILE 39 N 0.24 1.58 -1.22 2.60 2.04 -1.64 -3.26 117.51 117.84 2ctk h ILE 39 Ca 0.61 -1.89 0.39 0.00 1.00 0.00 0.00 64.86 64.97 2ctk h ILE 39 Cb 1.30 2.81 -0.13 0.00 -0.74 0.00 0.00 36.82 40.07 2ctk h ILE 39 CO -0.65 0.51 0.77 0.03 0.00 0.00 0.00 178.15 178.81 2ctk h ARG 40 N -0.63 0.15 -0.78 2.37 3.08 0.64 0.70 114.38 119.92 2ctk h ARG 40 Ca -0.02 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.11 2ctk h ARG 40 Cb 0.90 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.85 2ctk h ARG 40 CO 0.03 0.10 0.44 -0.22 -1.07 0.00 0.00 179.97 179.24 2ctk h LYS 41 N 0.16 0.72 0.42 0.04 1.63 -1.39 -0.78 116.57 117.36 2ctk h LYS 41 Ca 0.77 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 60.51 2ctk h LYS 41 Cb 2.28 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 33.75 2ctk h LYS 41 CO -0.44 0.48 -0.20 0.52 -3.45 0.00 0.00 179.45 176.36 2ctk h MET 42 N 0.74 -0.54 -1.45 1.90 2.86 0.25 0.21 114.93 118.90 2ctk h MET 42 Ca 0.38 0.04 0.42 0.00 -2.06 0.00 0.00 59.70 58.48 2ctk h MET 42 Cb 0.34 0.12 -0.07 0.00 0.06 0.00 0.00 31.60 32.06 2ctk h MET 42 CO -0.24 -0.36 1.04 0.52 1.06 0.00 0.00 176.91 178.92 2ctk h MET 43 N -1.11 0.03 0.00 1.72 2.86 -1.36 1.29 114.93 118.37 2ctk h MET 43 Ca -0.06 -0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.32 2ctk h MET 43 Cb 0.43 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 2ctk h MET 43 CO 0.09 0.02 -1.55 -0.44 1.06 0.00 0.00 176.91 176.10 2ctk h ASP 44 N 0.03 0.00 0.00 1.22 5.19 -1.13 -2.21 116.42 119.52 2ctk h ASP 44 Ca 0.71 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.12 2ctk h ASP 44 Cb 2.76 0.00 0.00 0.00 0.18 0.00 0.00 39.33 42.27 2ctk h ASP 44 CO -0.05 0.96 -0.06 -0.08 -3.12 0.00 0.00 179.24 176.89 2ctk h GLU 45 N 0.00 0.00 0.00 3.56 4.57 0.35 -3.34 114.58 119.71 2ctk h GLU 45 Ca -0.22 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 2ctk h GLU 45 Cb 1.93 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.52 2ctk h GLU 45 CO 0.09 0.00 0.00 1.19 -1.18 0.00 0.00 179.01 179.11 2ctk n PHE 46 N -4.02 0.00 -3.77 0.92 3.72 0.22 -4.89 117.46 109.64 2ctk n PHE 46 Ca -0.01 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.16 2ctk n PHE 46 Cb 0.03 -0.02 0.02 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 -1.02 -4.69 -4.50 -1.08 1.02 -1.03 -4.91 120.64 104.43 2ctk n GLU 47 Ca 0.20 0.58 -0.25 0.00 -0.02 0.00 0.00 57.16 57.67 2ctk n GLU 47 Cb 0.10 -5.10 -0.08 0.00 -0.02 0.00 0.00 31.44 26.34 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 -3.68 0.61 -0.12 2.62 -7.23 -0.86 -4.92 120.40 106.83 2ctk s VAL 48 Ca 0.08 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.27 2ctk s VAL 48 Cb -0.04 -2.38 0.01 0.00 0.56 0.00 0.00 36.38 34.53 2ctk s VAL 48 CO 0.83 0.00 -0.18 0.20 -0.31 0.00 0.00 175.10 175.64 2ctk s ASN 49 N -3.59 2.69 -0.14 4.85 0.01 -0.73 -4.14 114.94 113.90 2ctk s ASN 49 Ca 0.25 -0.49 -0.01 0.00 -0.71 0.00 0.00 52.86 51.89 2ctk s ASN 49 Cb 0.03 -1.22 -0.02 0.00 0.41 0.00 0.00 41.25 40.45 2ctk s ASN 49 CO 0.15 0.05 -0.09 -0.63 -1.51 0.00 0.00 177.10 175.06 2ctk s ILE 50 N 0.88 3.38 -0.15 0.60 1.01 -1.26 0.01 121.20 125.68 2ctk s ILE 50 Ca -0.08 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.05 2ctk s ILE 50 Cb -0.15 -2.45 0.01 0.00 0.01 0.00 0.00 42.46 39.88 2ctk s ILE 50 CO -0.01 0.51 -0.21 -1.00 0.00 0.00 0.00 174.94 174.23 2ctk s HIS 51 N 0.33 2.67 -0.11 3.97 3.76 0.67 -5.02 115.29 121.56 2ctk s HIS 51 Ca -0.08 -1.40 -0.04 0.00 -0.15 0.00 0.00 55.06 53.38 2ctk s HIS 51 Cb -0.15 -1.83 -0.04 0.00 1.11 0.00 0.00 32.58 31.68 2ctk s HIS 51 CO 0.05 -0.66 0.06 0.08 -0.85 0.00 0.00 174.74 173.42 2ctk s VAL 52 N 0.93 4.81 0.16 -0.90 1.01 -1.26 -1.96 120.40 123.19 2ctk s VAL 52 Ca -0.04 -0.05 -0.31 0.00 0.00 0.00 0.00 61.98 61.58 2ctk s VAL 52 Cb -0.15 -3.07 -0.08 0.00 0.00 0.00 0.00 36.38 33.08 2ctk s VAL 52 CO -0.05 0.59 1.33 -2.16 0.00 0.00 0.00 175.10 174.82 2ctk s PRO 53 N -0.77 4.37 1.09 2.72 0.04 -1.26 -5.00 135.00 136.18 2ctk s PRO 53 Ca 0.12 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 63.07 2ctk s PRO 53 Cb -0.12 -3.22 0.18 0.00 0.04 0.00 0.00 34.50 31.38 2ctk s PRO 53 CO 0.03 -0.32 0.68 0.00 0.04 0.00 0.00 177.00 177.43 2ctk n ALA 54 N 3.21 -2.87 0.14 8.56 0.00 -1.26 -4.77 120.51 123.52 2ctk n ALA 54 Ca 0.08 -1.03 -0.01 0.00 0.00 0.00 0.00 53.44 52.48 2ctk n ALA 54 Cb 0.43 -1.88 0.24 0.00 0.00 0.00 0.00 19.45 18.25 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 -2.25 0.08 0.00 0.00 0.13 -1.97 -2.80 132.00 125.20 2ctk h PRO 55 Ca -0.54 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.53 2ctk h PRO 55 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 2ctk h PRO 55 CO 0.43 0.55 -0.10 1.05 -0.23 0.00 0.00 178.00 179.70 2ctk h GLU 56 N 0.07 0.00 0.00 0.86 -0.00 -2.02 -2.09 114.58 111.40 2ctk h GLU 56 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.32 2ctk h GLU 56 Cb 0.87 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.62 2ctk h GLU 56 CO 0.07 0.10 -0.80 -0.07 -0.00 0.00 0.00 179.01 178.30 2ctk h LEU 57 N 0.00 0.00 -2.11 3.06 3.38 -1.84 -3.48 115.31 114.32 2ctk h LEU 57 Ca -0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 2ctk h LEU 57 Cb 0.40 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 2ctk h LEU 57 CO 0.01 0.14 -0.91 0.00 0.09 0.00 0.00 178.44 177.77 2ctk n GLN 58 N -2.85 -2.71 -4.03 1.13 6.02 -0.79 -4.95 117.38 109.20 2ctk n GLN 58 Ca -0.01 0.36 -0.30 0.00 -0.01 0.00 0.00 57.00 57.04 2ctk n GLN 58 Cb 0.61 -4.30 -0.06 0.00 1.02 0.00 0.00 30.24 27.51 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 -4.28 5.66 -0.15 1.08 0.15 -1.26 -5.02 113.70 109.89 2ctk s SER 59 Ca 0.06 0.03 0.18 0.00 0.70 0.00 0.00 55.95 56.92 2ctk s SER 59 Cb -0.02 -1.56 0.38 0.00 -1.71 0.00 0.00 66.02 63.11 2ctk s SER 59 CO 0.90 0.17 1.26 0.47 1.20 0.00 0.00 173.24 177.24 2ctk n ASP 60 N 0.39 2.95 -4.14 5.45 9.92 -1.26 -4.42 116.55 125.44 2ctk n ASP 60 Ca -0.08 -3.07 -0.33 0.00 -0.53 0.00 0.00 54.79 50.78 2ctk n ASP 60 Cb 0.52 -0.48 -0.15 0.00 -0.64 0.00 0.00 41.12 40.37 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 -2.86 2.29 -0.01 0.53 -1.09 -1.25 -0.81 121.20 117.99 2ctk s ILE 61 Ca 0.36 -1.03 -0.15 0.00 -2.23 0.00 0.00 60.65 57.60 2ctk s ILE 61 Cb 0.30 -2.06 -0.06 0.00 -1.58 0.00 0.00 42.46 39.07 2ctk s ILE 61 CO 0.05 0.39 0.42 -0.63 -1.23 0.00 0.00 174.94 173.95 2ctk s ILE 62 N 1.28 5.03 -0.19 2.92 1.01 -0.31 -4.58 121.20 126.36 2ctk s ILE 62 Ca 0.02 0.87 -0.07 0.00 0.00 0.00 0.00 60.65 61.47 2ctk s ILE 62 Cb -0.15 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 2ctk s ILE 62 CO -0.10 0.54 0.06 0.00 0.00 0.00 0.00 174.94 175.44 2ctk s ALA 63 N -0.82 3.37 -0.15 9.38 0.00 -0.83 -0.33 121.76 132.37 2ctk s ALA 63 Ca 0.24 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.42 2ctk s ALA 63 Cb -0.17 -1.93 0.02 0.00 0.00 0.00 0.00 23.12 21.04 2ctk s ALA 63 CO 0.13 0.10 -0.20 0.42 0.00 0.00 0.00 175.76 176.21 2ctk s ILE 64 N 0.53 1.94 -0.05 0.00 1.01 -1.04 -0.24 121.20 123.35 2ctk s ILE 64 Ca 0.03 -0.89 -0.06 0.00 0.00 0.00 0.00 60.65 59.74 2ctk s ILE 64 Cb -0.13 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 2ctk s ILE 64 CO 0.01 0.52 0.20 -0.89 0.00 0.00 0.00 174.94 174.78 2ctk s THR 65 N 1.11 5.42 0.00 2.92 2.01 0.10 -0.87 115.64 126.33 2ctk s THR 65 Ca -0.01 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.10 2ctk s THR 65 Cb -0.14 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 68.87 2ctk s THR 65 CO -0.08 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 2ctk n GLY 66 N 1.43 0.28 3.75 4.40 0.00 -0.79 -1.77 105.19 112.49 2ctk n GLY 66 Ca -0.15 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 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 4.42 0.30 0.99 1.43 -1.26 -0.34 118.68 124.22 2ctk s LEU 67 Ca 0.00 2.51 0.14 0.00 -1.03 0.00 0.00 54.13 55.75 2ctk s LEU 67 Cb 0.00 -3.62 1.04 0.00 0.03 0.00 0.00 46.19 43.63 2ctk s LEU 67 CO 0.00 -0.53 1.32 0.00 0.23 0.00 0.00 176.35 177.38 2ctk n ALA 68 N 2.02 0.78 -0.05 4.21 0.00 -1.26 0.16 120.51 126.36 2ctk n ALA 68 Ca 0.04 0.87 -0.11 0.00 0.00 0.00 0.00 53.44 54.24 2ctk n ALA 68 Cb 0.42 -0.82 -0.05 0.00 0.00 0.00 0.00 19.45 19.01 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 1.68 0.23 -0.27 0.00 0.00 -1.97 -2.55 119.26 116.39 2ctk h ALA 69 Ca 0.67 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.42 2ctk h ALA 69 Cb 1.72 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 2ctk h ALA 69 CO -0.68 -0.17 -0.02 -0.91 0.00 0.00 0.00 179.25 177.47 2ctk h ASN 70 N 0.12 0.49 -0.97 0.00 2.35 0.11 -2.99 115.58 114.68 2ctk h ASN 70 Ca 0.06 -0.33 0.19 0.00 -0.55 0.00 0.00 56.30 55.67 2ctk h ASN 70 Cb 0.20 -0.13 -0.11 0.00 0.05 0.00 0.00 38.32 38.33 2ctk h ASN 70 CO -0.00 0.70 0.57 -0.07 -1.65 0.00 0.00 177.43 176.97 2ctk h LEU 71 N 0.26 0.70 -0.00 1.61 3.38 -0.62 0.13 115.31 120.77 2ctk h LEU 71 Ca 0.07 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.15 2ctk h LEU 71 Cb 0.46 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2ctk h LEU 71 CO 0.02 0.23 -0.02 0.44 0.09 0.00 0.00 178.44 179.19 2ctk h ASP 72 N 0.70 -0.07 0.43 -0.43 5.19 -1.31 0.17 116.42 121.10 2ctk h ASP 72 Ca 0.57 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.97 2ctk h ASP 72 Cb 0.91 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.45 2ctk h ASP 72 CO -0.40 -0.04 -0.21 0.03 -3.12 0.00 0.00 179.24 175.50 2ctk h ARG 73 N -0.04 -0.56 0.27 3.56 3.08 -1.14 -2.35 114.38 117.21 2ctk h ARG 73 Ca 0.01 0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 2ctk h ARG 73 Cb 0.06 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 2ctk h ARG 73 CO -0.03 -0.27 -0.44 0.00 -1.07 0.00 0.00 179.97 178.16 2ctk h ALA 74 N -0.36 -1.02 -0.97 0.04 0.00 -0.79 -1.86 119.26 114.30 2ctk h ALA 74 Ca -0.06 -0.13 0.29 0.00 0.00 0.00 0.00 54.91 55.01 2ctk h ALA 74 Cb 0.55 0.75 -0.15 0.00 0.00 0.00 0.00 17.79 18.94 2ctk h ALA 74 CO 0.10 -1.09 0.49 -0.22 0.00 0.00 0.00 179.25 178.53 2ctk h LYS 75 N -0.76 0.31 -1.01 0.00 3.64 -0.74 0.59 116.57 118.60 2ctk h LYS 75 Ca -0.03 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.39 2ctk h LYS 75 Cb 0.70 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.39 2ctk h LYS 75 CO -0.15 0.20 0.65 0.00 -2.27 0.00 0.00 179.45 177.89 2ctk h ALA 76 N 1.83 1.38 -0.13 5.00 0.00 -0.77 -1.26 119.26 125.30 2ctk h ALA 76 Ca 0.68 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.52 2ctk h ALA 76 Cb 1.50 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2ctk h ALA 76 CO -0.61 0.49 -0.07 0.78 0.00 0.00 0.00 179.25 179.84 2ctk h GLY 77 N 1.21 0.31 0.82 0.00 0.00 0.60 -2.74 103.07 103.27 2ctk h GLY 77 Ca 0.42 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 2ctk h GLY 77 CO -0.16 0.26 -0.31 -2.00 0.00 0.00 0.00 176.54 174.33 2ctk h LEU 78 N -0.07 -0.79 -0.77 3.11 5.85 -1.09 -0.61 115.31 120.94 2ctk h LEU 78 Ca 0.03 0.05 0.17 0.00 0.84 0.00 0.00 57.88 58.97 2ctk h LEU 78 Cb 0.55 0.24 -0.11 0.00 0.37 0.00 0.00 40.66 41.71 2ctk h LEU 78 CO 0.02 -0.48 0.22 -0.07 -0.34 0.00 0.00 178.44 177.79 2ctk h LEU 79 N -0.75 0.08 -1.05 2.25 3.38 -1.31 0.26 115.31 118.17 2ctk h LEU 79 Ca -0.05 0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2ctk h LEU 79 Cb 0.62 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2ctk h LEU 79 CO 0.03 -0.03 -0.01 -0.33 0.09 0.00 0.00 178.44 178.19 2ctk h GLU 80 N 0.30 0.66 -0.65 1.13 5.08 -1.16 -1.61 114.58 118.34 2ctk h GLU 80 Ca 0.44 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.56 2ctk h GLU 80 Cb 0.78 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 2ctk h GLU 80 CO -0.51 0.69 0.09 -0.09 -1.00 0.00 0.00 179.01 178.19 2ctk h ARG 81 N 0.62 1.08 -0.19 2.33 9.65 0.11 -0.70 114.38 127.27 2ctk h ARG 81 Ca 0.13 -0.30 -0.07 0.00 -1.10 0.00 0.00 59.98 58.64 2ctk h ARG 81 Cb 0.41 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.87 2ctk h ARG 81 CO 0.02 1.00 -0.14 0.28 2.80 0.00 0.00 179.97 183.92 2ctk h VAL 82 N 0.99 1.32 -0.03 0.20 2.07 -0.86 0.43 116.25 120.38 2ctk h VAL 82 Ca 0.19 -1.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.40 2ctk h VAL 82 Cb 0.45 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2ctk h VAL 82 CO 0.01 0.38 -0.21 0.11 0.02 0.00 0.00 177.57 177.89 2ctk h LYS 83 N 0.11 0.05 0.15 1.57 1.57 -1.23 0.25 116.57 119.04 2ctk h LYS 83 Ca 0.04 -0.01 -0.33 0.00 -1.87 0.00 0.00 60.65 58.47 2ctk h LYS 83 Cb 0.66 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 2ctk h LYS 83 CO 0.04 0.26 -1.67 1.49 -0.57 0.00 0.00 179.45 179.00 2ctk h GLU 84 N 0.05 0.32 0.11 3.15 4.22 -1.01 -3.12 114.58 118.28 2ctk h GLU 84 Ca 0.01 -0.54 -0.01 0.00 0.08 0.00 0.00 59.36 58.90 2ctk h GLU 84 Cb 0.40 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2ctk h GLU 84 CO 0.03 1.20 -0.05 -0.07 -2.18 0.00 0.00 179.01 177.94 2ctk h LEU 85 N 0.09 -0.12 -1.22 1.64 3.38 0.09 -3.20 115.31 115.96 2ctk h LEU 85 Ca -0.30 -0.42 0.07 0.00 0.09 0.00 0.00 57.88 57.31 2ctk h LEU 85 Cb 2.06 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 42.79 2ctk h LEU 85 CO 0.16 0.41 0.56 0.06 0.09 0.00 0.00 178.44 179.72 2ctk h GLN 86 N -0.70 0.90 -0.02 1.13 3.07 -0.69 0.33 115.11 119.12 2ctk h GLN 86 Ca -0.01 -0.05 0.01 0.00 0.09 0.00 0.00 58.65 58.68 2ctk h GLN 86 Cb 0.54 -0.20 -0.00 0.00 0.08 0.00 0.00 27.48 27.89 2ctk h GLN 86 CO 0.02 0.60 0.04 0.00 0.09 0.00 0.00 178.83 179.58 2ctk h ALA 87 N 1.54 1.38 0.00 0.06 0.00 -1.56 0.11 119.26 120.80 2ctk h ALA 87 Ca 0.37 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 2ctk h ALA 87 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2ctk h ALA 87 CO -0.14 -0.05 -0.22 0.93 0.00 0.00 0.00 179.25 179.77 2ctk h GLU 88 N 0.00 0.00 0.00 0.00 5.08 -0.93 -2.90 114.58 115.82 2ctk h GLU 88 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2ctk h GLU 88 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2ctk h GLU 88 CO -0.00 0.41 0.00 -0.56 -1.00 0.00 0.00 179.01 177.86 2ctk h GLN 89 N -1.00 0.00 0.15 2.33 3.07 -1.25 -2.30 115.11 116.11 2ctk h GLN 89 Ca -0.04 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 58.38 2ctk h GLN 89 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.08 2ctk h GLN 89 CO -0.02 0.00 -1.62 1.49 0.09 0.00 0.00 178.83 178.77 2ctk h GLU 90 N 0.00 0.32 -0.93 0.06 4.81 -0.89 -3.29 114.58 114.65 2ctk h GLU 90 Ca 0.00 -0.55 0.14 0.00 -0.13 0.00 0.00 59.36 58.83 2ctk h GLU 90 Cb 0.20 0.20 -0.09 0.00 0.63 0.00 0.00 28.75 29.69 2ctk h GLU 90 CO 0.00 1.21 0.55 0.22 -0.73 0.00 0.00 179.01 180.25 2ctk h ASP 91 N 0.09 0.73 0.73 1.04 1.82 -1.19 0.22 116.42 119.86 2ctk h ASP 91 Ca -0.28 0.08 -0.08 0.00 -0.39 0.00 0.00 57.03 56.36 2ctk h ASP 91 Cb 2.06 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 42.00 2ctk h ASP 91 CO 0.17 0.34 -0.37 0.08 -1.61 0.00 0.00 179.24 177.85 2ctk h ARG 92 N 0.79 0.00 -0.01 0.28 0.11 -1.68 -2.75 114.38 111.13 2ctk h ARG 92 Ca 0.50 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.56 2ctk h ARG 92 Cb 0.64 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.72 2ctk h ARG 92 CO -0.33 0.37 -0.05 0.00 0.10 0.00 0.00 179.97 180.06 2ctk h ALA 93 N 1.63 0.02 0.08 0.08 0.00 -0.71 -3.33 119.26 117.03 2ctk h ALA 93 Ca -0.00 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.56 2ctk h ALA 93 Cb 0.83 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2ctk h ALA 93 CO 0.05 -0.11 -0.10 -0.07 0.00 0.00 0.00 179.25 179.01 2ctk h LEU 94 N -0.59 -0.28 -9.52 0.00 -0.00 -1.13 -3.41 115.31 100.38 2ctk h LEU 94 Ca -0.00 0.03 -0.53 0.00 -0.00 0.00 0.00 57.88 57.38 2ctk h LEU 94 Cb 0.71 0.10 0.02 0.00 -0.00 0.00 0.00 40.66 41.50 2ctk h LEU 94 CO 0.01 -0.16 0.80 -0.60 -0.00 0.00 0.00 178.44 178.49 2ctk s ARG 95 N -6.15 4.28 0.41 1.13 3.52 -1.04 -5.02 118.95 116.09 2ctk s ARG 95 Ca -0.14 2.13 0.04 0.00 -0.13 0.00 0.00 55.73 57.63 2ctk s ARG 95 Cb 0.07 -3.33 -0.05 0.00 -1.56 0.00 0.00 34.95 30.08 2ctk s ARG 95 CO 0.66 -0.52 0.03 -1.54 -0.81 0.00 0.00 175.30 173.12 2ctk s SER 96 N 1.39 3.42 0.13 -2.12 1.04 -1.26 -4.86 113.70 111.45 2ctk s SER 96 Ca 0.66 -1.47 -0.30 0.00 0.48 0.00 0.00 55.95 55.32 2ctk s SER 96 Cb -0.37 -0.00 -0.17 0.00 0.10 0.00 0.00 66.02 65.58 2ctk s SER 96 CO 0.30 -0.64 0.66 2.22 0.98 0.00 0.00 173.24 176.76 2ctk n PHE 97 N -0.96 -0.13 -4.27 5.02 -1.74 -1.26 -4.97 117.46 109.16 2ctk n PHE 97 Ca -0.08 0.95 -0.17 0.00 -0.56 0.00 0.00 57.45 57.59 2ctk n PHE 97 Cb 0.67 -1.90 -0.14 0.00 1.52 0.00 0.00 39.48 39.62 2ctk n PHE 97 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 2ctk s LYS 98 N -0.65 0.63 -1.21 3.97 2.20 -1.26 -4.83 119.74 118.60 2ctk s LYS 98 Ca 0.69 -0.36 -0.05 0.00 -0.36 0.00 0.00 55.97 55.89 2ctk s LYS 98 Cb -0.99 -0.59 0.01 0.00 -1.51 0.00 0.00 37.83 34.75 2ctk s LYS 98 CO 0.53 0.16 1.04 0.45 -0.36 0.00 0.00 175.35 177.17 2ctk n SER 99 N 2.66 -4.27 0.00 1.43 2.88 -1.26 -4.96 113.62 110.10 2ctk n SER 99 Ca -0.15 -0.54 0.00 0.00 -1.33 0.00 0.00 58.87 56.85 2ctk n SER 99 Cb 0.57 -4.80 0.00 0.00 -0.75 0.00 0.00 64.21 59.23 2ctk n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctk n GLY 100 N -1.56 0.68 0.00 0.46 0.00 -1.26 -4.83 105.19 98.67 2ctk n GLY 100 Ca -0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.96 2ctk n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ctk n PRO 101 N 0.00 0.49 -1.51 1.61 -0.04 -1.26 -4.84 135.00 129.45 2ctk n PRO 101 Ca 0.00 0.00 -0.62 0.00 -0.04 0.00 0.00 63.50 62.84 2ctk n PRO 101 Cb 0.00 -1.39 -0.10 0.00 -0.04 0.00 0.00 33.50 31.97 2ctk n PRO 101 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ctk n SER 102 N -0.89 1.27 -0.12 3.54 3.41 -1.26 -4.82 113.62 114.76 2ctk n SER 102 Ca 0.09 0.88 -0.08 0.00 -0.26 0.00 0.00 58.87 59.50 2ctk n SER 102 Cb 0.04 -0.96 -0.01 0.00 -0.26 0.00 0.00 64.21 63.02 2ctk n SER 102 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2ctk h SER 103 N 7.71 0.44 0.00 4.04 4.64 -2.03 -3.52 113.55 124.83 2ctk h SER 103 Ca -0.29 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2ctk h SER 103 Cb 1.38 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2ctk h SER 103 CO 1.03 0.35 0.00 0.61 -0.87 0.00 0.00 176.83 177.95