#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 0.12 0.65 1.61 0.15 -1.26 -5.16 113.70 109.81 2ctk s SER 2 Ca 0.00 0.51 0.05 0.00 0.70 0.00 0.00 55.95 57.21 2ctk s SER 2 Cb 0.00 1.13 0.11 0.00 -1.71 0.00 0.00 66.02 65.55 2ctk s SER 2 CO 0.00 -0.27 0.90 -0.94 1.20 0.00 0.00 173.24 174.13 2ctk s SER 3 N 2.55 4.70 -0.30 5.45 1.04 -1.26 -5.13 113.70 120.75 2ctk s SER 3 Ca 0.06 -0.65 -0.10 0.00 0.48 0.00 0.00 55.95 55.75 2ctk s SER 3 Cb -0.14 0.21 0.17 0.00 0.10 0.00 0.00 66.02 66.37 2ctk s SER 3 CO -0.14 -1.63 0.86 -0.83 0.98 0.00 0.00 173.24 172.49 2ctk s GLY 4 N -4.72 -0.53 -0.24 7.32 0.00 -1.26 -5.16 107.32 102.73 2ctk s GLY 4 Ca 0.64 2.54 -0.22 0.00 0.00 0.00 0.00 44.72 47.68 2ctk s GLY 4 CO 0.42 3.47 0.63 -0.56 0.00 0.00 0.00 173.10 177.06 2ctk s SER 5 N 2.79 -0.66 0.04 1.64 0.01 -1.26 -5.17 113.70 111.09 2ctk s SER 5 Ca 0.05 1.28 0.04 0.00 1.31 0.00 0.00 55.95 58.62 2ctk s SER 5 Cb -0.11 1.29 -0.02 0.00 0.21 0.00 0.00 66.02 67.39 2ctk s SER 5 CO -0.16 -0.22 -0.11 -0.94 0.41 0.00 0.00 173.24 172.22 2ctk s SER 6 N 0.36 1.24 0.00 2.44 1.04 -1.26 -5.04 113.70 112.48 2ctk s SER 6 Ca -0.00 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2ctk s SER 6 Cb -0.04 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.03 2ctk s SER 6 CO 0.01 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.77 2ctk n GLY 7 N 1.78 0.00 3.75 7.32 0.00 -1.26 -5.16 105.19 111.63 2ctk n GLY 7 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 2.98 0.05 1.61 1.02 -1.26 -5.04 119.74 119.10 2ctk s LYS 8 Ca 0.00 1.93 0.07 0.00 0.02 0.00 0.00 55.97 57.99 2ctk s LYS 8 Cb 0.00 -2.00 -0.03 0.00 -0.52 0.00 0.00 37.83 35.29 2ctk s LYS 8 CO 0.00 -1.22 -0.20 -1.83 -0.92 0.00 0.00 175.35 171.17 2ctk s GLU 9 N -3.23 1.35 -0.49 1.68 -1.05 -1.26 -5.11 118.70 110.60 2ctk s GLU 9 Ca 0.77 -0.95 0.02 0.00 -0.15 0.00 0.00 54.97 54.66 2ctk s GLU 9 Cb -0.33 -1.47 0.13 0.00 -0.44 0.00 0.00 34.13 32.02 2ctk s GLU 9 CO 0.36 0.37 0.24 0.00 0.95 0.00 0.00 175.26 177.19 2ctk s ALA 10 N -0.83 3.25 -0.02 -0.84 0.00 -1.26 -5.06 121.76 117.01 2ctk s ALA 10 Ca 0.07 -3.04 0.00 0.00 0.00 0.00 0.00 51.96 48.99 2ctk s ALA 10 Cb -0.09 -2.23 0.02 0.00 0.00 0.00 0.00 23.12 20.82 2ctk s ALA 10 CO 0.02 -1.94 0.02 -1.17 0.00 0.00 0.00 175.76 172.69 2ctk s LEU 11 N 0.15 1.24 -0.12 0.00 0.20 -1.26 -5.14 118.68 113.76 2ctk s LEU 11 Ca 0.15 0.02 -0.01 0.00 0.69 0.00 0.00 54.13 54.98 2ctk s LEU 11 Cb -0.23 -0.09 0.03 0.00 -0.43 0.00 0.00 46.19 45.47 2ctk s LEU 11 CO -0.03 -0.10 -0.05 -0.70 -0.29 0.00 0.00 176.35 175.18 2ctk s GLU 12 N 0.89 1.27 -0.29 1.98 2.12 -1.26 -5.11 118.70 118.31 2ctk s GLU 12 Ca -0.08 -0.22 -0.22 0.00 0.36 0.00 0.00 54.97 54.82 2ctk s GLU 12 Cb -0.11 -1.54 0.14 0.00 0.26 0.00 0.00 34.13 32.89 2ctk s GLU 12 CO -0.02 -0.32 1.09 0.00 -0.54 0.00 0.00 175.26 175.47 2ctk s ALA 13 N 1.76 -2.14 -0.17 6.30 0.00 -1.26 -5.06 121.76 121.19 2ctk s ALA 13 Ca 0.04 1.95 0.03 0.00 0.00 0.00 0.00 51.96 53.98 2ctk s ALA 13 Cb -0.13 -1.61 -0.12 0.00 0.00 0.00 0.00 23.12 21.27 2ctk s ALA 13 CO -0.07 -0.25 -0.13 1.47 0.00 0.00 0.00 175.76 176.78 2ctk n LEU 14 N 2.62 2.65 -4.80 0.00 -0.00 -1.26 -4.98 117.00 111.22 2ctk n LEU 14 Ca -0.14 -0.08 -0.37 0.00 -0.00 0.00 0.00 56.01 55.42 2ctk n LEU 14 Cb 0.57 -0.49 -0.06 0.00 -0.00 0.00 0.00 43.42 43.43 2ctk n LEU 14 CO 0.02 0.73 -0.01 0.54 -0.00 0.00 0.00 177.39 178.68 2ctk s VAL 15 N -2.34 5.26 0.99 1.47 0.11 -1.26 -5.04 120.40 119.60 2ctk s VAL 15 Ca -0.21 0.57 -0.17 0.00 -2.93 0.00 0.00 61.98 59.24 2ctk s VAL 15 Cb 0.06 -3.60 0.25 0.00 -1.53 0.00 0.00 36.38 31.55 2ctk s VAL 15 CO 0.41 0.51 0.88 -0.81 -3.33 0.00 0.00 175.10 172.76 2ctk n PRO 16 N 2.59 -2.75 -3.93 1.54 -0.04 -1.26 -4.84 135.00 126.30 2ctk n PRO 16 Ca -0.15 -1.41 -0.09 0.00 -0.04 0.00 0.00 63.50 61.81 2ctk n PRO 16 Cb 0.53 -1.32 -0.09 0.00 -0.04 0.00 0.00 33.50 32.58 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 -2.60 0.15 -0.16 0.52 -7.23 -0.05 -4.83 120.40 106.20 2ctk s VAL 17 Ca 0.57 -1.23 -0.11 0.00 -1.81 0.00 0.00 61.98 59.40 2ctk s VAL 17 Cb -0.06 -1.12 -0.05 0.00 0.56 0.00 0.00 36.38 35.72 2ctk s VAL 17 CO 0.44 -0.68 0.20 -0.89 -0.31 0.00 0.00 175.10 173.86 2ctk s THR 18 N -3.16 5.37 0.29 5.32 2.01 -1.26 -1.08 115.64 123.13 2ctk s THR 18 Ca -0.00 0.35 0.01 0.00 0.31 0.00 0.00 61.69 62.36 2ctk s THR 18 Cb 0.02 -3.53 0.01 0.00 0.01 0.00 0.00 72.50 69.01 2ctk s THR 18 CO -0.07 0.46 0.08 2.30 -0.69 0.00 0.00 174.62 176.69 2ctk n ILE 19 N 3.23 0.00 -4.25 1.82 -5.35 0.03 -4.93 119.36 109.92 2ctk n ILE 19 Ca -0.15 -1.28 -0.20 0.00 -0.27 0.00 0.00 62.75 60.84 2ctk n ILE 19 Cb 0.52 0.09 -0.16 0.00 -1.74 0.00 0.00 39.64 38.36 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 -3.09 0.91 -0.03 6.28 2.02 -1.26 -2.91 118.70 120.62 2ctk s GLU 20 Ca 0.06 -0.17 0.05 0.00 0.02 0.00 0.00 54.97 54.93 2ctk s GLU 20 Cb -0.00 -0.87 -0.01 0.00 0.10 0.00 0.00 34.13 33.34 2ctk s GLU 20 CO 0.04 -0.03 -0.20 0.08 0.02 0.00 0.00 175.26 175.17 2ctk s VAL 21 N 0.70 1.58 -0.33 2.63 1.01 0.45 -4.96 120.40 121.48 2ctk s VAL 21 Ca -0.10 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 2ctk s VAL 21 Cb -0.13 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.94 2ctk s VAL 21 CO 0.01 0.45 1.15 -1.61 0.00 0.00 0.00 175.10 175.09 2ctk s GLU 22 N -0.26 3.99 -0.22 2.72 2.02 -1.26 -0.94 118.70 124.75 2ctk s GLU 22 Ca 0.02 1.06 -0.10 0.00 0.02 0.00 0.00 54.97 55.98 2ctk s GLU 22 Cb -0.10 -3.80 0.08 0.00 0.10 0.00 0.00 34.13 30.42 2ctk s GLU 22 CO 0.01 -1.02 0.50 0.08 0.02 0.00 0.00 175.26 174.85 2ctk s VAL 23 N 3.94 -0.37 0.22 2.63 1.01 0.25 -4.92 120.40 123.16 2ctk s VAL 23 Ca 0.49 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.26 2ctk s VAL 23 Cb -0.13 -0.75 -0.09 0.00 0.00 0.00 0.00 36.38 35.41 2ctk s VAL 23 CO 0.19 0.04 1.29 -2.16 0.00 0.00 0.00 175.10 174.46 2ctk s PRO 24 N 2.07 4.41 0.66 2.72 0.04 -1.26 -3.83 135.00 139.81 2ctk s PRO 24 Ca -0.06 2.05 0.39 0.00 0.04 0.00 0.00 61.00 63.41 2ctk s PRO 24 Cb -0.10 -3.18 2.11 0.00 0.04 0.00 0.00 34.50 33.37 2ctk s PRO 24 CO -0.15 -0.21 2.20 0.35 0.04 0.00 0.00 177.00 179.24 2ctk h PHE 25 N 5.02 0.00 0.00 0.56 3.04 -1.87 0.13 116.94 123.81 2ctk h PHE 25 Ca -0.45 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.50 2ctk h PHE 25 Cb 1.22 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.73 2ctk h PHE 25 CO 0.61 0.00 0.00 -0.44 -2.02 0.00 0.00 178.31 176.46 2ctk h ASP 26 N 0.00 0.00 0.10 0.41 5.19 -1.94 -2.84 116.42 117.33 2ctk h ASP 26 Ca 0.01 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.06 2ctk h ASP 26 Cb 0.26 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.70 2ctk h ASP 26 CO -0.00 0.00 -2.25 0.18 -3.12 0.00 0.00 179.24 174.05 2ctk n LEU 27 N -3.00 0.17 -0.33 1.55 4.77 0.44 -4.47 117.00 116.12 2ctk n LEU 27 Ca -0.00 0.08 -0.02 0.00 -0.03 0.00 0.00 56.01 56.04 2ctk n LEU 27 Cb 0.25 0.43 0.03 0.00 -2.33 0.00 0.00 43.42 41.80 2ctk n LEU 27 CO 0.25 0.47 0.60 0.45 -1.33 0.00 0.00 177.39 177.83 2ctk h HIS 28 N 0.00 -1.05 -1.25 -1.77 3.86 -1.34 0.92 115.15 114.52 2ctk h HIS 28 Ca -0.49 0.10 0.39 0.00 -1.16 0.00 0.00 60.37 59.21 2ctk h HIS 28 Cb 2.19 0.59 -0.12 0.00 1.06 0.00 0.00 27.41 31.13 2ctk h HIS 28 CO 0.00 -0.40 0.81 0.07 0.86 0.00 0.00 177.93 179.27 2ctk h ARG 29 N -0.05 0.15 0.18 2.45 0.11 -1.78 0.38 114.38 115.82 2ctk h ARG 29 Ca 0.31 -0.01 -0.35 0.00 0.10 0.00 0.00 59.98 60.03 2ctk h ARG 29 Cb 0.58 -0.03 0.01 0.00 1.11 0.00 0.00 29.97 31.64 2ctk h ARG 29 CO -0.90 0.10 -1.78 1.88 0.10 0.00 0.00 179.97 179.36 2ctk h TYR 30 N 0.15 0.69 -0.35 4.08 0.05 0.45 -3.04 116.97 119.00 2ctk h TYR 30 Ca 0.76 -0.51 0.04 0.00 0.05 0.00 0.00 58.73 59.08 2ctk h TYR 30 Cb 2.32 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 39.99 2ctk h TYR 30 CO -0.00 1.70 0.12 0.28 -1.05 0.00 0.00 178.16 179.20 2ctk h VAL 31 N 0.10 0.89 -0.02 -2.88 2.07 0.24 -2.02 116.25 114.63 2ctk h VAL 31 Ca -0.36 -0.09 -0.12 0.00 0.82 0.00 0.00 66.70 66.95 2ctk h VAL 31 Cb 2.09 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 2ctk h VAL 31 CO 0.17 0.05 -0.57 0.40 0.02 0.00 0.00 177.57 177.63 2ctk h ILE 32 N 0.26 1.40 0.00 4.57 2.04 -0.91 -3.22 117.51 121.65 2ctk h ILE 32 Ca 0.16 -1.94 0.00 0.00 1.00 0.00 0.00 64.86 64.08 2ctk h ILE 32 Cb 0.14 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 2ctk h ILE 32 CO -0.17 0.56 0.00 0.61 0.00 0.00 0.00 178.15 179.15 2ctk n GLY 33 N 0.12 -2.24 0.42 5.37 0.00 -0.76 -2.85 105.19 105.24 2ctk n GLY 33 Ca -0.01 -1.52 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.14 0.00 1.61 4.15 -1.88 -3.39 115.11 115.45 2ctk h GLN 34 Ca 0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2ctk h GLN 34 Cb 0.00 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.72 2ctk h GLN 34 CO 0.00 -0.10 -0.15 1.17 -1.93 0.00 0.00 178.83 177.82 2ctk n LYS 35 N -5.34 0.08 0.00 1.69 0.00 -1.26 -5.04 118.16 108.29 2ctk n LYS 35 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 58.31 58.36 2ctk n LYS 35 Cb 0.32 -0.48 0.00 0.00 0.00 0.00 0.00 35.03 34.87 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 2.95 0.00 0.12 3.14 0.00 -1.13 -4.99 105.19 105.27 2ctk n GLY 36 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.09 2ctk n GLY 36 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ctk h SER 37 N 0.00 0.00 -0.05 1.61 4.64 -1.91 -3.16 113.55 114.68 2ctk h SER 37 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 2ctk h SER 37 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2ctk h SER 37 CO 0.00 0.12 -0.39 1.23 -0.87 0.00 0.00 176.83 176.92 2ctk h GLY 38 N 3.93 0.62 0.20 -0.77 0.00 -1.78 -3.11 103.07 102.16 2ctk h GLY 38 Ca -0.03 -0.61 -0.15 0.00 0.00 0.00 0.00 47.33 46.54 2ctk h GLY 38 CO 0.01 0.55 -0.76 -2.22 0.00 0.00 0.00 176.54 174.12 2ctk h ILE 39 N 0.47 1.34 -0.90 2.60 2.04 -1.69 -3.36 117.51 118.01 2ctk h ILE 39 Ca 0.04 -2.33 0.23 0.00 1.00 0.00 0.00 64.86 63.80 2ctk h ILE 39 Cb 0.89 2.89 -0.16 0.00 -0.74 0.00 0.00 36.82 39.70 2ctk h ILE 39 CO 0.08 0.56 0.04 0.03 0.00 0.00 0.00 178.15 178.85 2ctk h ARG 40 N -0.78 0.06 -0.70 2.37 3.08 -1.63 0.14 114.38 116.92 2ctk h ARG 40 Ca -0.18 -0.00 0.12 0.00 0.07 0.00 0.00 59.98 59.99 2ctk h ARG 40 Cb 1.33 -0.01 -0.13 0.00 0.08 0.00 0.00 29.97 31.23 2ctk h ARG 40 CO -0.03 0.04 -0.32 -0.22 -1.07 0.00 0.00 179.97 178.37 2ctk h LYS 41 N 0.06 -0.10 -0.35 0.04 3.64 -1.69 0.49 116.57 118.66 2ctk h LYS 41 Ca 0.53 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.86 2ctk h LYS 41 Cb 1.05 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 2ctk h LYS 41 CO -0.81 -0.07 -0.02 0.52 -2.27 0.00 0.00 179.45 176.80 2ctk h MET 42 N -0.10 0.56 -0.45 1.90 2.86 -0.94 0.95 114.93 119.71 2ctk h MET 42 Ca 0.28 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.71 2ctk h MET 42 Cb 0.56 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 2ctk h MET 42 CO -0.76 0.61 -0.03 0.52 1.06 0.00 0.00 176.91 178.30 2ctk h MET 43 N 0.54 0.76 0.02 1.72 2.86 0.47 0.19 114.93 121.48 2ctk h MET 43 Ca 0.11 -0.22 -0.24 0.00 -2.06 0.00 0.00 59.70 57.30 2ctk h MET 43 Cb 0.38 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 2ctk h MET 43 CO 0.02 0.79 -1.16 -0.44 1.06 0.00 0.00 176.91 177.17 2ctk h ASP 44 N 0.71 0.07 -0.00 1.22 3.32 -0.03 0.22 116.42 121.93 2ctk h ASP 44 Ca 0.13 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 2ctk h ASP 44 Cb 0.48 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2ctk h ASP 44 CO 0.02 1.07 -0.01 -0.08 -1.72 0.00 0.00 179.24 178.52 2ctk h GLU 45 N 0.01 0.01 -0.00 3.56 4.81 -0.60 -3.29 114.58 119.08 2ctk h GLU 45 Ca -0.08 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2ctk h GLU 45 Cb 1.84 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.22 2ctk h GLU 45 CO 0.13 0.72 -0.39 1.19 -0.73 0.00 0.00 179.01 179.94 2ctk n PHE 46 N -4.74 0.00 -3.55 0.92 3.72 0.65 -4.96 117.46 109.50 2ctk n PHE 46 Ca -0.09 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.10 2ctk n PHE 46 Cb 0.36 -0.18 0.08 0.00 -0.94 0.00 0.00 39.48 38.80 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 -1.05 -6.89 -3.31 -1.08 1.02 0.63 -4.83 120.64 105.13 2ctk n GLU 47 Ca 0.09 0.80 -0.15 0.00 -0.02 0.00 0.00 57.16 57.89 2ctk n GLU 47 Cb 0.34 -5.79 -0.04 0.00 -0.02 0.00 0.00 31.44 25.94 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 -4.50 0.00 -3.91 2.62 0.24 -0.33 -4.92 118.33 107.54 2ctk n VAL 48 Ca -0.16 -1.24 -0.26 0.00 -2.04 0.00 0.00 64.34 60.64 2ctk n VAL 48 Cb 0.62 0.37 -0.17 0.00 -1.47 0.00 0.00 33.84 33.19 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 -2.36 1.98 -0.17 -1.34 -0.87 -0.65 -4.53 114.94 107.01 2ctk s ASN 49 Ca 0.07 -0.24 -0.07 0.00 -1.57 0.00 0.00 52.86 51.04 2ctk s ASN 49 Cb 0.00 -0.73 -0.04 0.00 -0.02 0.00 0.00 41.25 40.46 2ctk s ASN 49 CO 0.05 -0.13 0.08 -0.63 -2.57 0.00 0.00 177.10 173.90 2ctk s ILE 50 N 1.71 4.96 -0.27 0.60 1.01 -1.26 -0.26 121.20 127.69 2ctk s ILE 50 Ca 0.04 0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.73 2ctk s ILE 50 Cb -0.13 -3.22 0.07 0.00 0.01 0.00 0.00 42.46 39.20 2ctk s ILE 50 CO -0.07 0.49 -0.05 -1.00 0.00 0.00 0.00 174.94 174.31 2ctk s HIS 51 N 0.05 3.04 0.02 3.97 3.76 -0.02 -5.02 115.29 121.09 2ctk s HIS 51 Ca 0.07 -2.27 -0.17 0.00 -0.15 0.00 0.00 55.06 52.54 2ctk s HIS 51 Cb -0.12 -2.01 -0.06 0.00 1.11 0.00 0.00 32.58 31.50 2ctk s HIS 51 CO 0.00 -0.86 0.49 0.08 -0.85 0.00 0.00 174.74 173.60 2ctk s VAL 52 N 1.17 4.91 0.25 -0.90 1.01 -1.26 -2.48 120.40 123.10 2ctk s VAL 52 Ca -0.03 1.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.68 2ctk s VAL 52 Cb -0.19 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 2ctk s VAL 52 CO -0.07 0.54 1.27 -2.16 0.00 0.00 0.00 175.10 174.68 2ctk s PRO 53 N -0.89 4.43 1.15 2.72 0.04 -1.26 -5.01 135.00 136.18 2ctk s PRO 53 Ca 0.27 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.23 2ctk s PRO 53 Cb -0.18 -3.16 0.28 0.00 0.04 0.00 0.00 34.50 31.48 2ctk s PRO 53 CO 0.16 -0.15 1.04 0.00 0.04 0.00 0.00 177.00 178.09 2ctk s ALA 54 N -0.46 -0.39 0.17 8.56 0.00 -1.26 -4.82 121.76 123.56 2ctk s ALA 54 Ca 0.52 -0.03 0.29 0.00 0.00 0.00 0.00 51.96 52.74 2ctk s ALA 54 Cb -0.36 -3.28 1.22 0.00 0.00 0.00 0.00 23.12 20.70 2ctk s ALA 54 CO 0.43 -3.82 1.94 -1.00 0.00 0.00 0.00 175.76 173.30 2ctk h PRO 55 N -2.61 0.00 -0.03 0.00 0.13 -1.98 -2.91 132.00 124.61 2ctk h PRO 55 Ca -0.60 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.33 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 0.49 0.11 -0.82 1.05 -0.23 0.00 0.00 178.00 178.60 2ctk h GLU 56 N 0.00 0.30 0.00 0.86 4.11 -2.02 -3.07 114.58 114.77 2ctk h GLU 56 Ca -0.00 -0.29 -0.00 0.00 0.07 0.00 0.00 59.36 59.14 2ctk h GLU 56 Cb 0.58 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 2ctk h GLU 56 CO 0.01 0.97 -0.01 -0.07 0.07 0.00 0.00 179.01 179.99 2ctk h LEU 57 N 0.19 0.00 -1.76 3.06 3.38 -1.86 -3.47 115.31 114.85 2ctk h LEU 57 Ca -0.04 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.37 2ctk h LEU 57 Cb 1.43 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 42.01 2ctk h LEU 57 CO 0.13 0.01 -0.91 0.00 0.09 0.00 0.00 178.44 177.76 2ctk n GLN 58 N -3.10 -2.28 -3.86 1.13 6.02 -1.16 -4.93 117.38 109.20 2ctk n GLN 58 Ca 0.02 0.27 -0.31 0.00 -0.01 0.00 0.00 57.00 56.97 2ctk n GLN 58 Cb 0.40 -4.34 -0.04 0.00 1.02 0.00 0.00 30.24 27.28 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 -4.08 6.39 -0.14 1.08 0.15 -1.26 -5.01 113.70 110.83 2ctk s SER 59 Ca 0.21 0.35 0.16 0.00 0.70 0.00 0.00 55.95 57.37 2ctk s SER 59 Cb -0.12 -1.99 0.41 0.00 -1.71 0.00 0.00 66.02 62.61 2ctk s SER 59 CO 0.94 0.15 1.30 0.47 1.20 0.00 0.00 173.24 177.31 2ctk n ASP 60 N 0.32 3.23 -4.06 5.45 9.92 -1.26 -4.31 116.55 125.83 2ctk n ASP 60 Ca -0.05 -2.89 -0.30 0.00 -0.53 0.00 0.00 54.79 51.02 2ctk n ASP 60 Cb 0.51 -0.45 -0.16 0.00 -0.64 0.00 0.00 41.12 40.38 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 -2.58 1.64 0.01 0.53 -1.09 -1.25 -0.58 121.20 117.88 2ctk s ILE 61 Ca 0.35 -0.70 -0.11 0.00 -2.23 0.00 0.00 60.65 57.97 2ctk s ILE 61 Cb 0.28 -1.51 -0.05 0.00 -1.58 0.00 0.00 42.46 39.61 2ctk s ILE 61 CO 0.07 0.47 0.35 -0.63 -1.23 0.00 0.00 174.94 173.97 2ctk s ILE 62 N 1.21 5.16 -0.22 2.92 1.01 -0.12 -4.63 121.20 126.54 2ctk s ILE 62 Ca -0.01 0.50 -0.06 0.00 0.00 0.00 0.00 60.65 61.08 2ctk s ILE 62 Cb -0.14 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 2ctk s ILE 62 CO -0.07 0.44 0.04 0.00 0.00 0.00 0.00 174.94 175.36 2ctk s ALA 63 N -1.22 3.14 -0.17 9.38 0.00 -1.04 -0.41 121.76 131.44 2ctk s ALA 63 Ca 0.26 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 2ctk s ALA 63 Cb -0.14 -1.92 -0.01 0.00 0.00 0.00 0.00 23.12 21.04 2ctk s ALA 63 CO 0.14 -0.24 -0.08 0.42 0.00 0.00 0.00 175.76 176.00 2ctk s ILE 64 N 1.16 3.30 -0.14 0.00 1.01 -1.15 -0.84 121.20 124.55 2ctk s ILE 64 Ca 0.04 -0.55 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 2ctk s ILE 64 Cb -0.14 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 2ctk s ILE 64 CO 0.02 0.48 0.09 -0.89 0.00 0.00 0.00 174.94 174.65 2ctk s THR 65 N 0.76 5.11 0.00 2.92 2.01 0.65 -0.79 115.64 126.29 2ctk s THR 65 Ca -0.04 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.03 2ctk s THR 65 Cb -0.15 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.11 2ctk s THR 65 CO 0.02 0.55 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 2ctk n GLY 66 N 2.62 2.07 3.76 4.40 0.00 -0.24 -1.63 105.19 116.17 2ctk n GLY 66 Ca -0.18 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 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 4.34 0.53 0.99 1.43 -1.26 -0.87 118.68 123.84 2ctk s LEU 67 Ca 0.00 2.95 0.46 0.00 -1.03 0.00 0.00 54.13 56.51 2ctk s LEU 67 Cb 0.00 -3.65 1.59 0.00 0.03 0.00 0.00 46.19 44.16 2ctk s LEU 67 CO 0.00 -0.85 1.46 0.00 0.23 0.00 0.00 176.35 177.18 2ctk n ALA 68 N 1.43 1.75 -0.01 4.21 0.00 -1.26 0.17 120.51 126.80 2ctk n ALA 68 Ca 0.05 0.60 -0.16 0.00 0.00 0.00 0.00 53.44 53.92 2ctk n ALA 68 Cb 0.39 -1.05 -0.11 0.00 0.00 0.00 0.00 19.45 18.68 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 0.91 0.06 -0.11 0.00 0.00 -2.01 -3.06 119.26 115.05 2ctk h ALA 69 Ca 0.86 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 2ctk h ALA 69 Cb 3.53 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 21.33 2ctk h ALA 69 CO -0.01 0.25 -0.44 -0.91 0.00 0.00 0.00 179.25 178.13 2ctk h ASN 70 N -0.25 0.27 -0.20 0.00 2.35 0.15 -2.90 115.58 115.00 2ctk h ASN 70 Ca -0.06 -0.12 -0.05 0.00 -0.55 0.00 0.00 56.30 55.52 2ctk h ASN 70 Cb 1.18 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.46 2ctk h ASN 70 CO 0.09 0.68 -0.03 -0.07 -1.65 0.00 0.00 177.43 176.45 2ctk h LEU 71 N 0.21 0.47 0.63 1.61 3.38 -0.86 0.09 115.31 120.84 2ctk h LEU 71 Ca 0.01 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2ctk h LEU 71 Cb 0.87 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.50 2ctk h LEU 71 CO 0.07 0.56 -0.30 0.44 0.09 0.00 0.00 178.44 179.30 2ctk h ASP 72 N 0.48 -0.72 -0.79 -0.43 3.32 -1.40 0.37 116.42 117.24 2ctk h ASP 72 Ca 0.10 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2ctk h ASP 72 Cb 0.36 0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 2ctk h ASP 72 CO 0.01 -0.37 0.47 0.08 -1.72 0.00 0.00 179.24 177.72 2ctk h ARG 73 N -1.09 1.08 0.64 3.56 0.11 -1.50 -1.42 114.38 115.75 2ctk h ARG 73 Ca -0.09 -0.10 -0.03 0.00 0.10 0.00 0.00 59.98 59.86 2ctk h ARG 73 Cb 0.69 -0.22 0.01 0.00 1.11 0.00 0.00 29.97 31.56 2ctk h ARG 73 CO 0.14 0.76 -0.31 0.00 0.10 0.00 0.00 179.97 180.67 2ctk h ALA 74 N 1.25 -0.86 -1.00 0.08 0.00 -0.98 -2.98 119.26 114.78 2ctk h ALA 74 Ca 0.28 -0.20 0.25 0.00 0.00 0.00 0.00 54.91 55.24 2ctk h ALA 74 Cb -0.03 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 2ctk h ALA 74 CO -0.05 -0.83 0.65 -0.22 0.00 0.00 0.00 179.25 178.80 2ctk h LYS 75 N -1.16 0.38 -0.66 0.00 3.64 -0.23 0.31 116.57 118.85 2ctk h LYS 75 Ca -0.09 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 2ctk h LYS 75 Cb 0.69 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 2ctk h LYS 75 CO 0.14 0.25 0.37 0.00 -2.27 0.00 0.00 179.45 177.94 2ctk h ALA 76 N 1.60 1.41 -0.16 5.00 0.00 -1.17 -1.83 119.26 124.11 2ctk h ALA 76 Ca 0.55 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.32 2ctk h ALA 76 Cb 1.42 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2ctk h ALA 76 CO -0.24 0.49 -0.09 0.78 0.00 0.00 0.00 179.25 180.19 2ctk h GLY 77 N 0.96 0.37 0.86 0.00 0.00 -0.24 -2.92 103.07 102.11 2ctk h GLY 77 Ca 0.23 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 2ctk h GLY 77 CO -0.04 0.31 -0.41 -2.00 0.00 0.00 0.00 176.54 174.40 2ctk h LEU 78 N 0.01 -0.98 -0.91 3.11 5.85 -1.27 -1.39 115.31 119.73 2ctk h LEU 78 Ca 0.03 0.03 0.17 0.00 0.84 0.00 0.00 57.88 58.96 2ctk h LEU 78 Cb 0.58 0.25 -0.17 0.00 0.37 0.00 0.00 40.66 41.69 2ctk h LEU 78 CO 0.03 -0.69 -0.27 -0.07 -0.34 0.00 0.00 178.44 177.10 2ctk h LEU 79 N -1.18 -0.99 -1.63 2.25 3.38 -1.45 1.38 115.31 117.07 2ctk h LEU 79 Ca -0.12 0.28 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2ctk h LEU 79 Cb 0.89 0.61 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 2ctk h LEU 79 CO 0.19 -0.30 -0.06 -0.33 0.09 0.00 0.00 178.44 178.03 2ctk h GLU 80 N -0.01 0.16 -0.35 1.13 5.08 -1.42 -1.99 114.58 117.17 2ctk h GLU 80 Ca 0.41 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.62 2ctk h GLU 80 Cb 0.65 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2ctk h GLU 80 CO -0.94 0.23 -0.27 -0.09 -1.00 0.00 0.00 179.01 176.94 2ctk h ARG 81 N 0.16 0.73 -0.23 2.33 9.65 0.29 -1.16 114.38 126.15 2ctk h ARG 81 Ca 0.04 -0.31 -0.18 0.00 -1.10 0.00 0.00 59.98 58.42 2ctk h ARG 81 Cb 0.21 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.77 2ctk h ARG 81 CO 0.01 0.92 -0.58 0.28 2.80 0.00 0.00 179.97 183.40 2ctk h VAL 82 N 0.63 1.29 -0.38 0.20 2.07 -0.44 0.29 116.25 119.91 2ctk h VAL 82 Ca 0.08 -1.80 -0.15 0.00 0.82 0.00 0.00 66.70 65.65 2ctk h VAL 82 Cb 0.78 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 2ctk h VAL 82 CO 0.06 0.57 -0.37 0.11 0.02 0.00 0.00 177.57 177.97 2ctk h LYS 83 N 0.56 0.90 0.02 1.57 1.57 -1.29 -2.02 116.57 117.88 2ctk h LYS 83 Ca 0.00 -0.46 -0.04 0.00 -1.87 0.00 0.00 60.65 58.29 2ctk h LYS 83 Cb 1.17 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2ctk h LYS 83 CO 0.12 1.11 -0.15 0.93 -0.57 0.00 0.00 179.45 180.89 2ctk h GLU 84 N 0.74 0.07 0.08 3.15 5.08 -1.21 -3.12 114.58 119.38 2ctk h GLU 84 Ca 0.06 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2ctk h GLU 84 Cb 0.95 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 2ctk h GLU 84 CO 0.09 0.97 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.67 2ctk h LEU 85 N -0.77 -0.96 -2.14 1.33 3.38 -0.48 -0.04 115.31 115.62 2ctk h LEU 85 Ca -0.02 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.13 2ctk h LEU 85 Cb 1.03 0.37 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 2ctk h LEU 85 CO 0.03 -0.41 0.26 0.06 0.09 0.00 0.00 178.44 178.47 2ctk h GLN 86 N -0.53 0.00 0.00 1.13 3.07 -1.51 0.34 115.11 117.61 2ctk h GLN 86 Ca 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.74 2ctk h GLN 86 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.13 2ctk h GLN 86 CO -0.22 0.00 -0.20 0.00 0.09 0.00 0.00 178.83 178.51 2ctk h ALA 87 N 1.72 0.92 0.11 0.06 0.00 -0.96 -1.52 119.26 119.59 2ctk h ALA 87 Ca 0.12 -0.18 -0.35 0.00 0.00 0.00 0.00 54.91 54.51 2ctk h ALA 87 Cb 0.64 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2ctk h ALA 87 CO -0.00 0.25 -1.88 0.39 0.00 0.00 0.00 179.25 178.00 2ctk n GLU 88 N -3.22 0.73 0.24 0.00 1.02 0.11 -2.67 120.64 116.85 2ctk n GLU 88 Ca 0.02 0.31 0.14 0.00 -0.02 0.00 0.00 57.16 57.60 2ctk n GLU 88 Cb 0.52 -1.72 0.39 0.00 -0.02 0.00 0.00 31.44 30.61 2ctk n GLU 88 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 2ctk h GLN 89 N -0.09 0.00 0.00 3.49 -0.00 -1.25 -3.11 115.11 114.15 2ctk h GLN 89 Ca -0.41 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.09 2ctk h GLN 89 Cb 1.93 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 29.38 2ctk h GLN 89 CO 0.05 0.04 -1.57 -1.91 -0.00 0.00 0.00 178.83 175.44 2ctk n GLU 90 N -3.12 0.63 0.19 0.06 2.13 -0.57 -4.27 120.64 115.69 2ctk n GLU 90 Ca 0.02 0.13 -0.15 0.00 0.66 0.00 0.00 57.16 57.82 2ctk n GLU 90 Cb 0.44 -1.74 -0.08 0.00 0.27 0.00 0.00 31.44 30.34 2ctk n GLU 90 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2ctk h ASP 91 N 0.00 -0.40 -0.50 4.31 3.58 -1.43 0.86 116.42 122.84 2ctk h ASP 91 Ca -0.17 0.02 0.14 0.00 0.42 0.00 0.00 57.03 57.44 2ctk h ASP 91 Cb 1.52 0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.66 2ctk h ASP 91 CO 0.03 -0.27 0.41 0.08 -2.88 0.00 0.00 179.24 176.62 2ctk h ARG 92 N -0.44 0.00 0.21 0.28 0.11 -1.75 0.34 114.38 113.13 2ctk h ARG 92 Ca -0.04 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.71 2ctk h ARG 92 Cb 0.35 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.45 2ctk h ARG 92 CO 0.05 0.00 -1.56 0.00 0.10 0.00 0.00 179.97 178.56 2ctk h ALA 93 N 1.64 0.01 0.00 0.08 0.00 -1.54 -3.31 119.26 116.13 2ctk h ALA 93 Ca 0.24 -0.98 -0.11 0.00 0.00 0.00 0.00 54.91 54.05 2ctk h ALA 93 Cb 1.06 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2ctk h ALA 93 CO -0.00 0.87 -0.52 1.25 0.00 0.00 0.00 179.25 180.85 2ctk h LEU 94 N 0.12 0.00 -1.98 0.00 6.46 0.98 -3.47 115.31 117.42 2ctk h LEU 94 Ca -0.28 0.00 -0.38 0.00 -0.12 0.00 0.00 57.88 57.10 2ctk h LEU 94 Cb 2.12 0.00 0.10 0.00 -0.73 0.00 0.00 40.66 42.15 2ctk h LEU 94 CO 0.23 0.52 -0.83 0.54 -0.62 0.00 0.00 178.44 178.27 2ctk n ARG 95 N -3.64 -4.57 -3.80 1.25 1.74 0.10 -4.98 116.66 102.76 2ctk n ARG 95 Ca -0.01 0.68 -0.31 0.00 -0.77 0.00 0.00 57.85 57.44 2ctk n ARG 95 Cb 0.58 -5.30 -0.04 0.00 -1.02 0.00 0.00 32.46 26.68 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 -4.15 6.42 -1.25 0.55 0.15 -1.26 -5.01 113.70 109.16 2ctk s SER 96 Ca 0.11 0.43 -0.20 0.00 0.70 0.00 0.00 55.95 56.98 2ctk s SER 96 Cb -0.02 -2.03 -0.00 0.00 -1.71 0.00 0.00 66.02 62.26 2ctk s SER 96 CO 0.79 0.12 1.83 0.49 1.20 0.00 0.00 173.24 177.67 2ctk n PHE 97 N 0.25 3.80 -4.12 3.44 3.72 -1.26 -4.89 117.46 118.41 2ctk n PHE 97 Ca -0.04 -2.23 -0.17 0.00 -0.05 0.00 0.00 57.45 54.96 2ctk n PHE 97 Cb 0.51 -2.63 -0.15 0.00 -0.94 0.00 0.00 39.48 36.27 2ctk n PHE 97 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2ctk s LYS 98 N 5.22 0.50 0.67 -1.08 2.47 -1.26 -5.16 119.74 121.11 2ctk s LYS 98 Ca 0.60 -0.12 0.02 0.00 -1.56 0.00 0.00 55.97 54.92 2ctk s LYS 98 Cb 0.02 -0.53 0.11 0.00 -1.46 0.00 0.00 37.83 35.97 2ctk s LYS 98 CO 0.10 0.02 0.93 -1.12 0.16 0.00 0.00 175.35 175.44 2ctk s SER 99 N 0.35 4.59 0.00 1.43 0.01 -1.26 -5.11 113.70 113.71 2ctk s SER 99 Ca -0.04 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.75 2ctk s SER 99 Cb -0.07 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.17 2ctk s SER 99 CO -0.00 -1.69 0.00 0.61 0.41 0.00 0.00 173.24 172.57 2ctk n GLY 100 N -2.65 4.53 1.56 3.44 0.00 -1.26 -5.16 105.19 105.65 2ctk n GLY 100 Ca 0.15 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.71 -1.97 -3.60 1.61 -0.04 -1.26 -5.10 135.00 122.93 2ctk n PRO 101 Ca 0.00 -0.78 -0.06 0.00 -0.04 0.00 0.00 63.50 62.62 2ctk n PRO 101 Cb 0.00 -0.73 -0.04 0.00 -0.04 0.00 0.00 33.50 32.69 2ctk n PRO 101 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2ctk s SER 102 N -2.82 -0.21 -0.11 3.54 1.04 -1.26 -5.04 113.70 108.84 2ctk s SER 102 Ca 0.32 0.16 0.14 0.00 0.48 0.00 0.00 55.95 57.05 2ctk s SER 102 Cb -0.03 0.18 0.36 0.00 0.10 0.00 0.00 66.02 66.63 2ctk s SER 102 CO 0.24 -0.24 1.27 -1.54 0.98 0.00 0.00 173.24 173.95 2ctk n SER 103 N 0.38 3.06 0.00 7.02 3.41 -1.26 -5.36 113.62 120.87 2ctk n SER 103 Ca -0.04 -2.74 0.00 0.00 -0.26 0.00 0.00 58.87 55.82 2ctk n SER 103 Cb 0.59 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2ctk n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49