#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 3.45 -0.56 1.61 0.01 -1.26 -5.09 113.70 111.87 2ctk s SER 2 Ca 0.00 -0.97 -0.21 0.00 1.31 0.00 0.00 55.95 56.08 2ctk s SER 2 Cb 0.00 -1.09 0.06 0.00 0.21 0.00 0.00 66.02 65.20 2ctk s SER 2 CO 0.00 -0.21 0.78 -0.55 0.41 0.00 0.00 173.24 173.67 2ctk s SER 3 N 1.48 6.24 -0.27 2.44 0.15 -1.26 -4.63 113.70 117.85 2ctk s SER 3 Ca -0.03 -0.86 -0.06 0.00 0.70 0.00 0.00 55.95 55.70 2ctk s SER 3 Cb -0.17 -2.35 0.01 0.00 -1.71 0.00 0.00 66.02 61.79 2ctk s SER 3 CO -0.07 -1.11 0.16 0.61 1.20 0.00 0.00 173.24 174.02 2ctk n GLY 4 N 5.20 -2.42 2.75 9.45 0.00 -1.26 -5.01 105.19 113.90 2ctk n GLY 4 Ca -0.04 0.55 -0.29 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.64 3.55 0.39 1.61 0.01 -1.26 -5.13 113.70 111.23 2ctk s SER 5 Ca 0.07 -1.25 -0.14 0.00 1.31 0.00 0.00 55.95 55.94 2ctk s SER 5 Cb -0.02 -0.77 -0.08 0.00 0.21 0.00 0.00 66.02 65.36 2ctk s SER 5 CO 0.60 -0.35 0.80 -0.94 0.41 0.00 0.00 173.24 173.77 2ctk s SER 6 N 1.71 6.69 -0.41 2.44 1.04 -1.26 -5.06 113.70 118.84 2ctk s SER 6 Ca 0.04 1.31 0.04 0.00 0.48 0.00 0.00 55.95 57.82 2ctk s SER 6 Cb -0.17 -2.39 0.17 0.00 0.10 0.00 0.00 66.02 63.72 2ctk s SER 6 CO -0.17 -0.34 0.41 -0.83 0.98 0.00 0.00 173.24 173.30 2ctk s GLY 7 N -2.66 0.32 0.97 7.32 0.00 -1.26 -5.14 107.32 106.87 2ctk s GLY 7 Ca 0.55 -1.56 -0.11 0.00 0.00 0.00 0.00 44.72 43.60 2ctk s GLY 7 CO 0.23 2.60 1.09 0.28 0.00 0.00 0.00 173.10 177.31 2ctk n LYS 8 N 3.40 -0.86 -3.56 2.90 5.02 -1.26 -5.05 118.16 118.76 2ctk n LYS 8 Ca 0.20 -0.19 -0.11 0.00 -2.02 0.00 0.00 58.31 56.19 2ctk n LYS 8 Cb 0.48 -2.32 -0.05 0.00 -0.02 0.00 0.00 35.03 33.12 2ctk n LYS 8 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2ctk s GLU 9 N -4.55 0.67 -0.26 1.97 1.03 -1.26 -5.16 118.70 111.14 2ctk s GLU 9 Ca 0.67 0.06 -0.05 0.00 0.03 0.00 0.00 54.97 55.69 2ctk s GLU 9 Cb -0.23 0.31 0.14 0.00 -0.80 0.00 0.00 34.13 33.55 2ctk s GLU 9 CO 0.60 -0.23 0.50 0.00 -1.33 0.00 0.00 175.26 174.80 2ctk s ALA 10 N -1.53 -1.61 -0.09 -0.84 0.00 -1.26 -5.15 121.76 111.29 2ctk s ALA 10 Ca -0.01 1.58 -0.08 0.00 0.00 0.00 0.00 51.96 53.45 2ctk s ALA 10 Cb -0.01 -1.75 0.02 0.00 0.00 0.00 0.00 23.12 21.39 2ctk s ALA 10 CO 0.00 -1.10 0.23 -1.17 0.00 0.00 0.00 175.76 173.72 2ctk s LEU 11 N 2.71 1.09 -0.12 0.00 2.96 -1.26 -5.15 118.68 118.92 2ctk s LEU 11 Ca 0.08 0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 54.45 2ctk s LEU 11 Cb -0.14 0.77 0.03 0.00 0.50 0.00 0.00 46.19 47.35 2ctk s LEU 11 CO -0.17 -0.08 -0.07 -0.70 -1.32 0.00 0.00 176.35 174.01 2ctk s GLU 12 N 0.19 1.46 -0.14 1.98 2.56 -1.26 -4.63 118.70 118.86 2ctk s GLU 12 Ca -0.01 -0.26 -0.11 0.00 0.00 0.00 0.00 54.97 54.59 2ctk s GLU 12 Cb -0.02 -1.60 0.04 0.00 2.00 0.00 0.00 34.13 34.55 2ctk s GLU 12 CO -0.00 -0.29 0.35 0.00 -0.56 0.00 0.00 175.26 174.76 2ctk s ALA 13 N 1.72 -0.87 0.33 6.30 0.00 -1.26 -5.03 121.76 122.94 2ctk s ALA 13 Ca 0.05 1.07 0.12 0.00 0.00 0.00 0.00 51.96 53.20 2ctk s ALA 13 Cb -0.13 -0.63 0.99 0.00 0.00 0.00 0.00 23.12 23.35 2ctk s ALA 13 CO -0.08 -0.18 1.69 1.37 0.00 0.00 0.00 175.76 178.56 2ctk h LEU 14 N 5.94 0.58 -9.68 0.00 -0.00 -2.05 -3.39 115.31 106.71 2ctk h LEU 14 Ca -0.29 0.17 -0.54 0.00 -0.00 0.00 0.00 57.88 57.22 2ctk h LEU 14 Cb 1.18 0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 41.90 2ctk h LEU 14 CO 0.29 -0.03 0.14 0.54 -0.00 0.00 0.00 178.44 179.38 2ctk s VAL 15 N -5.72 4.51 1.16 0.15 0.11 -1.26 -5.02 120.40 114.33 2ctk s VAL 15 Ca -0.10 1.61 -0.19 0.00 -2.93 0.00 0.00 61.98 60.36 2ctk s VAL 15 Cb 0.29 -4.10 0.29 0.00 -1.53 0.00 0.00 36.38 31.33 2ctk s VAL 15 CO 0.79 0.49 1.02 -0.81 -3.33 0.00 0.00 175.10 173.27 2ctk n PRO 16 N 1.90 -3.03 -3.95 1.54 -0.04 -1.26 -4.86 135.00 125.29 2ctk n PRO 16 Ca -0.06 -1.64 -0.09 0.00 -0.04 0.00 0.00 63.50 61.68 2ctk n PRO 16 Cb 0.49 -1.54 -0.08 0.00 -0.04 0.00 0.00 33.50 32.34 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 -2.85 0.11 -0.11 0.52 -7.23 0.60 -4.84 120.40 106.61 2ctk s VAL 17 Ca 0.67 -1.39 -0.05 0.00 -1.81 0.00 0.00 61.98 59.39 2ctk s VAL 17 Cb -0.07 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 2ctk s VAL 17 CO 0.51 -0.51 0.10 -0.89 -0.31 0.00 0.00 175.10 174.00 2ctk s THR 18 N -3.93 5.15 0.45 5.32 2.01 -1.26 -0.45 115.64 122.92 2ctk s THR 18 Ca 0.12 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.20 2ctk s THR 18 Cb 0.05 -3.22 -0.00 0.00 0.01 0.00 0.00 72.50 69.33 2ctk s THR 18 CO -0.05 0.61 0.02 2.30 -0.69 0.00 0.00 174.62 176.81 2ctk n ILE 19 N 2.05 0.00 -4.60 1.82 -5.35 0.73 -4.92 119.36 109.08 2ctk n ILE 19 Ca -0.20 -2.17 -0.25 0.00 -0.27 0.00 0.00 62.75 59.87 2ctk n ILE 19 Cb 0.55 0.49 -0.17 0.00 -1.74 0.00 0.00 39.64 38.77 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 -3.62 1.73 -0.12 6.28 2.02 -1.26 -2.57 118.70 121.16 2ctk s GLU 20 Ca 0.03 -0.42 0.01 0.00 0.02 0.00 0.00 54.97 54.61 2ctk s GLU 20 Cb 0.00 -1.42 0.02 0.00 0.10 0.00 0.00 34.13 32.82 2ctk s GLU 20 CO 0.02 0.03 -0.15 0.08 0.02 0.00 0.00 175.26 175.27 2ctk s VAL 21 N 0.65 1.48 -0.23 2.63 1.01 0.27 -4.96 120.40 121.24 2ctk s VAL 21 Ca -0.15 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 60.93 2ctk s VAL 21 Cb -0.16 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 2ctk s VAL 21 CO 0.04 0.44 1.71 -1.61 0.00 0.00 0.00 175.10 175.68 2ctk s GLU 22 N 1.11 3.67 -0.17 2.72 2.02 -1.26 -1.17 118.70 125.62 2ctk s GLU 22 Ca -0.04 1.67 -0.09 0.00 0.02 0.00 0.00 54.97 56.53 2ctk s GLU 22 Cb -0.14 -4.10 0.06 0.00 0.10 0.00 0.00 34.13 30.05 2ctk s GLU 22 CO -0.04 -1.46 0.40 0.08 0.02 0.00 0.00 175.26 174.27 2ctk s VAL 23 N 5.73 -0.04 0.19 2.63 1.01 0.79 -4.97 120.40 125.76 2ctk s VAL 23 Ca 0.76 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.54 2ctk s VAL 23 Cb -0.26 -0.60 -0.09 0.00 0.00 0.00 0.00 36.38 35.44 2ctk s VAL 23 CO 0.31 0.04 1.31 -2.16 0.00 0.00 0.00 175.10 174.60 2ctk s PRO 24 N 1.42 4.39 0.60 2.72 0.04 -1.26 -3.88 135.00 139.04 2ctk s PRO 24 Ca -0.09 2.05 0.31 0.00 0.04 0.00 0.00 61.00 63.30 2ctk s PRO 24 Cb -0.09 -3.20 1.76 0.00 0.04 0.00 0.00 34.50 33.01 2ctk s PRO 24 CO -0.13 -0.25 2.13 0.35 0.04 0.00 0.00 177.00 179.14 2ctk h PHE 25 N 5.42 0.00 0.00 0.56 3.04 -1.87 0.12 116.94 124.21 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 1.21 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.72 2ctk h PHE 25 CO 0.62 0.00 0.00 -0.25 -2.02 0.00 0.00 178.31 176.66 2ctk n ASP 26 N -3.65 0.00 -0.08 0.41 8.00 -1.26 -2.04 116.55 117.93 2ctk n ASP 26 Ca 0.00 0.45 -0.09 0.00 0.71 0.00 0.00 54.79 55.87 2ctk n ASP 26 Cb 0.28 -0.47 -0.12 0.00 -0.02 0.00 0.00 41.12 40.79 2ctk n ASP 26 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2ctk n LEU 27 N -1.47 0.52 -0.26 0.64 4.77 0.42 -4.65 117.00 116.97 2ctk n LEU 27 Ca 0.02 -0.02 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 2ctk n LEU 27 Cb 0.08 0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.30 2ctk n LEU 27 CO 0.07 0.46 0.48 1.41 -1.33 0.00 0.00 177.39 178.47 2ctk n HIS 28 N -2.66 -0.28 -0.38 -1.77 8.25 -0.87 0.89 115.22 118.41 2ctk n HIS 28 Ca -0.27 0.78 0.35 0.00 -0.26 0.00 0.00 57.72 58.32 2ctk n HIS 28 Cb 0.98 -0.55 0.61 0.00 1.12 0.00 0.00 29.99 32.15 2ctk n HIS 28 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2ctk n ARG 29 N -4.41 -0.05 0.09 -0.41 1.85 -1.25 0.99 116.66 113.46 2ctk n ARG 29 Ca 0.01 1.29 -0.22 0.00 -1.00 0.00 0.00 57.85 57.94 2ctk n ARG 29 Cb 0.16 -2.41 -0.15 0.00 -1.05 0.00 0.00 32.46 29.01 2ctk n ARG 29 CO 0.00 0.00 0.00 1.88 -0.01 0.00 0.00 177.63 179.50 2ctk h TYR 30 N 0.00 0.72 0.89 2.89 0.05 0.22 -1.79 116.97 119.95 2ctk h TYR 30 Ca 0.84 -0.52 -0.04 0.00 0.05 0.00 0.00 58.73 59.06 2ctk h TYR 30 Cb 2.44 -0.03 0.01 0.00 1.01 0.00 0.00 36.73 40.16 2ctk h TYR 30 CO -0.01 1.41 -0.43 0.28 -1.05 0.00 0.00 178.16 178.36 2ctk h VAL 31 N -0.17 0.09 -0.03 -2.88 2.07 0.44 -3.25 116.25 112.52 2ctk h VAL 31 Ca -0.18 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 2ctk h VAL 31 Cb 1.84 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2ctk h VAL 31 CO 0.20 0.00 0.01 0.40 0.02 0.00 0.00 177.57 178.20 2ctk h ILE 32 N -1.24 1.20 0.00 4.57 2.04 -0.66 -3.28 117.51 120.14 2ctk h ILE 32 Ca -0.12 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.15 2ctk h ILE 32 Cb 0.92 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 2ctk h ILE 32 CO 0.20 0.16 0.00 0.61 0.00 0.00 0.00 178.15 179.12 2ctk n GLY 33 N -0.44 -1.84 0.27 5.37 0.00 -0.67 -3.88 105.19 104.00 2ctk n GLY 33 Ca -0.07 -1.53 0.19 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.58 -0.06 -4.69 1.61 7.27 -1.26 -4.47 117.38 114.21 2ctk n GLN 34 Ca 0.00 1.16 -0.31 0.00 0.07 0.00 0.00 57.00 57.92 2ctk n GLN 34 Cb 0.00 -1.95 -0.08 0.00 2.41 0.00 0.00 30.24 30.62 2ctk n GLN 34 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2ctk s LYS 35 N -5.48 2.10 -0.23 3.69 -0.14 -1.26 -5.03 119.74 113.39 2ctk s LYS 35 Ca -0.09 -2.31 -0.00 0.00 -1.36 0.00 0.00 55.97 52.21 2ctk s LYS 35 Cb 0.25 -1.33 0.17 0.00 -1.68 0.00 0.00 37.83 35.25 2ctk s LYS 35 CO 0.63 -0.35 1.90 0.41 -0.76 0.00 0.00 175.35 177.18 2ctk n GLY 36 N -1.14 3.57 0.11 -3.33 0.00 -1.26 -4.20 105.19 98.94 2ctk n GLY 36 Ca -0.15 -0.75 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 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 0.51 1.89 -0.19 1.61 7.64 -1.26 -3.68 113.62 120.14 2ctk n SER 37 Ca 0.22 0.42 -0.06 0.00 1.01 0.00 0.00 58.87 60.46 2ctk n SER 37 Cb 0.62 -0.88 -0.05 0.00 -1.01 0.00 0.00 64.21 62.89 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 -1.00 -1.69 0.95 0.23 0.00 -1.73 0.55 103.07 100.37 2ctk h GLY 38 Ca -0.36 0.94 0.03 0.00 0.00 0.00 0.00 47.33 47.93 2ctk h GLY 38 CO -0.22 -0.46 0.65 -2.22 0.00 0.00 0.00 176.54 174.29 2ctk h ILE 39 N -0.04 1.20 -0.89 2.60 2.04 -1.72 -2.98 117.51 117.71 2ctk h ILE 39 Ca 0.08 -0.44 0.11 0.00 1.00 0.00 0.00 64.86 65.60 2ctk h ILE 39 Cb 0.24 -0.20 -0.13 0.00 -0.74 0.00 0.00 36.82 35.99 2ctk h ILE 39 CO -0.46 0.23 -0.44 -1.14 0.00 0.00 0.00 178.15 176.35 2ctk n ARG 40 N -4.42 -0.30 -0.27 2.37 3.00 0.16 0.39 116.66 117.59 2ctk n ARG 40 Ca 0.13 1.36 0.08 0.00 -0.00 0.00 0.00 57.85 59.42 2ctk n ARG 40 Cb 0.07 -2.01 0.16 0.00 0.00 0.00 0.00 32.46 30.67 2ctk n ARG 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2ctk n LYS 41 N -5.21 -0.07 0.16 -0.14 4.81 -1.06 0.12 118.16 116.77 2ctk n LYS 41 Ca 0.05 1.18 -0.13 0.00 -0.87 0.00 0.00 58.31 58.55 2ctk n LYS 41 Cb 0.29 -1.81 -0.08 0.00 0.02 0.00 0.00 35.03 33.46 2ctk n LYS 41 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 2ctk h MET 42 N 0.00 -0.42 -1.12 1.64 2.86 -0.25 0.16 114.93 117.81 2ctk h MET 42 Ca 0.41 0.03 0.31 0.00 -2.06 0.00 0.00 59.70 58.39 2ctk h MET 42 Cb 0.75 0.09 -0.08 0.00 0.06 0.00 0.00 31.60 32.43 2ctk h MET 42 CO -0.76 -0.09 0.76 0.52 1.06 0.00 0.00 176.91 178.40 2ctk h MET 43 N -0.84 0.20 0.03 1.72 2.86 0.21 0.52 114.93 119.64 2ctk h MET 43 Ca -0.04 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.48 2ctk h MET 43 Cb 0.52 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 2ctk h MET 43 CO 0.07 0.13 -0.51 -0.44 1.06 0.00 0.00 176.91 177.22 2ctk h ASP 44 N 0.20 0.10 0.95 1.22 3.32 -0.46 0.11 116.42 121.87 2ctk h ASP 44 Ca 0.59 -0.87 -0.05 0.00 0.02 0.00 0.00 57.03 56.72 2ctk h ASP 44 Cb 1.89 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 41.42 2ctk h ASP 44 CO -0.18 1.22 -0.46 -0.08 -1.72 0.00 0.00 179.24 178.02 2ctk h GLU 45 N -0.85 -1.23 -0.05 3.56 4.57 0.76 -2.52 114.58 118.81 2ctk h GLU 45 Ca -0.12 0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2ctk h GLU 45 Cb 1.22 0.28 0.00 0.00 -0.16 0.00 0.00 28.75 30.09 2ctk h GLU 45 CO -0.02 -0.82 0.00 1.19 -1.18 0.00 0.00 179.01 178.18 2ctk n PHE 46 N -5.63 0.07 -4.34 0.92 3.72 0.17 -4.88 117.46 107.48 2ctk n PHE 46 Ca -0.16 -0.03 -0.34 0.00 -0.05 0.00 0.00 57.45 56.86 2ctk n PHE 46 Cb 0.51 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.96 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 -0.37 -1.25 -4.60 -1.08 1.02 -0.84 -4.86 120.64 108.66 2ctk n GLU 47 Ca 0.03 0.15 -0.29 0.00 -0.02 0.00 0.00 57.16 57.04 2ctk n GLU 47 Cb 0.05 -4.10 -0.07 0.00 -0.02 0.00 0.00 31.44 27.30 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 -3.87 2.62 0.24 0.33 -4.89 118.33 108.35 2ctk n VAL 48 Ca -0.17 -2.50 -0.28 0.00 -2.04 0.00 0.00 64.34 59.35 2ctk n VAL 48 Cb 0.61 0.78 -0.16 0.00 -1.47 0.00 0.00 33.84 33.60 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 -3.71 2.82 -0.13 -1.34 -0.87 -0.76 -4.18 114.94 106.78 2ctk s ASN 49 Ca 0.15 -0.67 -0.16 0.00 -1.57 0.00 0.00 52.86 50.61 2ctk s ASN 49 Cb 0.01 -0.87 -0.05 0.00 -0.02 0.00 0.00 41.25 40.32 2ctk s ASN 49 CO 0.11 -0.20 0.38 -0.63 -2.57 0.00 0.00 177.10 174.18 2ctk s ILE 50 N 1.66 5.24 -0.13 0.60 1.01 -1.26 -0.32 121.20 127.99 2ctk s ILE 50 Ca 0.00 0.73 0.03 0.00 0.00 0.00 0.00 60.65 61.42 2ctk s ILE 50 Cb -0.15 -3.71 0.01 0.00 0.01 0.00 0.00 42.46 38.61 2ctk s ILE 50 CO -0.07 0.38 -0.23 -1.00 0.00 0.00 0.00 174.94 174.02 2ctk s HIS 51 N 0.37 2.64 -0.09 3.97 3.76 0.99 -5.01 115.29 121.92 2ctk s HIS 51 Ca 0.21 -1.27 -0.02 0.00 -0.15 0.00 0.00 55.06 53.83 2ctk s HIS 51 Cb -0.14 -1.79 -0.03 0.00 1.11 0.00 0.00 32.58 31.73 2ctk s HIS 51 CO 0.07 -0.57 -0.02 0.08 -0.85 0.00 0.00 174.74 173.46 2ctk s VAL 52 N 0.70 4.15 0.36 -0.90 1.01 -1.26 -1.74 120.40 122.71 2ctk s VAL 52 Ca -0.10 -0.30 -0.27 0.00 0.00 0.00 0.00 61.98 61.31 2ctk s VAL 52 Cb -0.16 -2.74 -0.09 0.00 0.00 0.00 0.00 36.38 33.38 2ctk s VAL 52 CO 0.01 0.59 1.21 -2.16 0.00 0.00 0.00 175.10 174.74 2ctk s PRO 53 N -0.72 4.24 0.88 2.72 0.04 -1.26 -5.01 135.00 135.88 2ctk s PRO 53 Ca 0.11 1.96 -0.10 0.00 0.04 0.00 0.00 61.00 63.01 2ctk s PRO 53 Cb -0.12 -2.89 0.12 0.00 0.04 0.00 0.00 34.50 31.66 2ctk s PRO 53 CO 0.02 -0.20 1.13 0.00 0.04 0.00 0.00 177.00 178.00 2ctk s ALA 54 N -1.28 1.68 -0.64 8.56 0.00 -1.26 -4.87 121.76 123.95 2ctk s ALA 54 Ca 0.52 0.51 0.20 0.00 0.00 0.00 0.00 51.96 53.19 2ctk s ALA 54 Cb -0.34 -3.40 0.86 0.00 0.00 0.00 0.00 23.12 20.24 2ctk s ALA 54 CO 0.44 -2.50 1.63 -0.35 0.00 0.00 0.00 175.76 174.97 2ctk n PRO 55 N -4.05 0.13 0.09 0.00 -0.04 -1.26 -2.13 135.00 127.74 2ctk n PRO 55 Ca 0.11 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 64.07 2ctk n PRO 55 Cb 0.52 -1.75 0.36 0.00 -0.04 0.00 0.00 33.50 32.59 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 -2.00 0.25 0.03 0.54 0.28 -1.26 -3.40 120.64 115.08 2ctk n GLU 56 Ca 0.02 0.17 0.11 0.00 -0.16 0.00 0.00 57.16 57.30 2ctk n GLU 56 Cb 0.21 -1.75 -0.11 0.00 1.43 0.00 0.00 31.44 31.21 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 -2.17 0.31 -3.90 -1.84 4.77 -0.90 -4.99 117.00 108.27 2ctk n LEU 57 Ca 0.05 0.09 -0.25 0.00 -0.03 0.00 0.00 56.01 55.88 2ctk n LEU 57 Cb 0.43 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.48 2ctk n LEU 57 CO 0.32 -0.05 -0.20 0.00 -1.33 0.00 0.00 177.39 176.13 2ctk n GLN 58 N -2.37 -3.65 -4.05 3.23 6.02 -1.22 -4.96 117.38 110.39 2ctk n GLN 58 Ca -0.02 0.45 -0.31 0.00 -0.01 0.00 0.00 57.00 57.10 2ctk n GLN 58 Cb 0.55 -4.68 -0.06 0.00 1.02 0.00 0.00 30.24 27.07 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 -4.35 5.71 -0.18 1.08 0.15 -1.26 -5.01 113.70 109.83 2ctk s SER 59 Ca 0.02 0.09 0.16 0.00 0.70 0.00 0.00 55.95 56.92 2ctk s SER 59 Cb -0.01 -1.61 0.45 0.00 -1.71 0.00 0.00 66.02 63.14 2ctk s SER 59 CO 0.87 0.21 1.33 0.47 1.20 0.00 0.00 173.24 177.32 2ctk n ASP 60 N 0.70 3.07 -4.11 5.45 9.92 -1.26 -4.39 116.55 125.93 2ctk n ASP 60 Ca -0.10 -3.21 -0.33 0.00 -0.53 0.00 0.00 54.79 50.63 2ctk n ASP 60 Cb 0.52 -0.52 -0.16 0.00 -0.64 0.00 0.00 41.12 40.32 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 -2.93 2.13 0.06 0.53 -1.09 -1.25 -0.15 121.20 118.49 2ctk s ILE 61 Ca 0.39 -1.16 -0.15 0.00 -2.23 0.00 0.00 60.65 57.50 2ctk s ILE 61 Cb 0.33 -2.02 -0.06 0.00 -1.58 0.00 0.00 42.46 39.14 2ctk s ILE 61 CO 0.05 0.35 0.47 -0.63 -1.23 0.00 0.00 174.94 173.94 2ctk s ILE 62 N 1.23 4.94 -0.21 2.92 1.01 -0.32 -4.62 121.20 126.14 2ctk s ILE 62 Ca 0.00 0.87 -0.06 0.00 0.00 0.00 0.00 60.65 61.46 2ctk s ILE 62 Cb -0.15 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 2ctk s ILE 62 CO -0.10 0.47 0.03 0.00 0.00 0.00 0.00 174.94 175.33 2ctk s ALA 63 N -1.21 3.11 -0.12 9.38 0.00 -0.71 -0.57 121.76 131.64 2ctk s ALA 63 Ca 0.29 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2ctk s ALA 63 Cb -0.17 -1.88 -0.01 0.00 0.00 0.00 0.00 23.12 21.06 2ctk s ALA 63 CO 0.16 -0.22 -0.14 0.42 0.00 0.00 0.00 175.76 175.99 2ctk s ILE 64 N 1.12 3.00 -0.04 0.00 1.01 -1.06 -0.01 121.20 125.22 2ctk s ILE 64 Ca 0.03 -0.68 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 2ctk s ILE 64 Cb -0.14 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 2ctk s ILE 64 CO 0.02 0.53 0.11 -0.89 0.00 0.00 0.00 174.94 174.71 2ctk s THR 65 N 0.26 5.03 0.00 2.92 2.01 0.56 -0.19 115.64 126.23 2ctk s THR 65 Ca -0.10 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 61.71 2ctk s THR 65 Cb -0.16 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.08 2ctk s THR 65 CO 0.05 0.43 0.00 0.61 -0.69 0.00 0.00 174.62 175.02 2ctk n GLY 66 N 1.39 2.19 3.77 4.40 0.00 0.40 -1.82 105.19 115.52 2ctk n GLY 66 Ca -0.15 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.18 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 4.29 0.30 0.99 1.43 -1.26 -0.29 118.68 124.14 2ctk s LEU 67 Ca 0.00 2.65 0.15 0.00 -1.03 0.00 0.00 54.13 55.91 2ctk s LEU 67 Cb 0.00 -3.81 1.05 0.00 0.03 0.00 0.00 46.19 43.45 2ctk s LEU 67 CO 0.00 -0.72 1.29 0.00 0.23 0.00 0.00 176.35 177.15 2ctk n ALA 68 N 0.38 0.79 0.15 4.21 0.00 -1.26 0.87 120.51 125.64 2ctk n ALA 68 Ca 0.02 0.84 -0.14 0.00 0.00 0.00 0.00 53.44 54.16 2ctk n ALA 68 Cb 0.43 -0.81 -0.08 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.36 -0.29 0.00 0.00 -1.89 -2.79 119.26 115.57 2ctk h ALA 69 Ca 0.67 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 2ctk h ALA 69 Cb 1.74 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 2ctk h ALA 69 CO -0.64 -0.58 0.17 -0.91 0.00 0.00 0.00 179.25 177.29 2ctk h ASN 70 N -0.60 0.35 -0.93 0.00 2.35 0.14 -2.58 115.58 114.31 2ctk h ASN 70 Ca -0.04 -0.06 0.23 0.00 -0.55 0.00 0.00 56.30 55.88 2ctk h ASN 70 Cb 0.43 -0.09 -0.12 0.00 0.05 0.00 0.00 38.32 38.59 2ctk h ASN 70 CO 0.06 0.31 0.47 -0.07 -1.65 0.00 0.00 177.43 176.55 2ctk h LEU 71 N 0.36 0.46 0.31 1.61 3.38 -0.61 0.21 115.31 121.03 2ctk h LEU 71 Ca 0.10 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 2ctk h LEU 71 Cb 0.03 0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2ctk h LEU 71 CO -0.02 0.03 -0.15 0.44 0.09 0.00 0.00 178.44 178.84 2ctk h ASP 72 N 0.46 -0.36 0.59 -0.43 3.32 -1.18 0.22 116.42 119.06 2ctk h ASP 72 Ca 0.59 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.53 2ctk h ASP 72 Cb 1.12 0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 2ctk h ASP 72 CO -0.51 -0.13 -0.36 0.03 -1.72 0.00 0.00 179.24 176.55 2ctk h ARG 73 N -0.57 -0.87 0.03 3.56 3.08 -0.97 0.15 114.38 118.79 2ctk h ARG 73 Ca -0.04 0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.09 2ctk h ARG 73 Cb 0.42 0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 2ctk h ARG 73 CO 0.07 -0.58 -0.20 0.00 -1.07 0.00 0.00 179.97 178.19 2ctk h ALA 74 N -0.57 -0.27 -0.36 0.04 0.00 -0.69 -2.17 119.26 115.24 2ctk h ALA 74 Ca -0.07 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2ctk h ALA 74 Cb 0.73 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 2ctk h ALA 74 CO 0.08 -0.70 -0.00 -0.22 0.00 0.00 0.00 179.25 178.40 2ctk h LYS 75 N -0.33 0.09 -0.01 0.00 3.64 -0.48 0.15 116.57 119.63 2ctk h LYS 75 Ca 0.05 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2ctk h LYS 75 Cb 0.39 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2ctk h LYS 75 CO -0.16 0.06 0.13 0.00 -2.27 0.00 0.00 179.45 177.21 2ctk h ALA 76 N 1.31 1.16 0.13 5.00 0.00 -0.33 -1.34 119.26 125.19 2ctk h ALA 76 Ca 0.17 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.83 2ctk h ALA 76 Cb 0.24 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.04 2ctk h ALA 76 CO -0.29 -0.13 -1.26 0.78 0.00 0.00 0.00 179.25 178.34 2ctk h GLY 77 N 0.00 0.32 0.65 0.00 0.00 -0.10 -3.31 103.07 100.62 2ctk h GLY 77 Ca 0.00 -0.81 -0.00 0.00 0.00 0.00 0.00 47.33 46.52 2ctk h GLY 77 CO -0.00 0.71 -0.00 -2.00 0.00 0.00 0.00 176.54 175.25 2ctk h LEU 78 N -0.29 -0.00 -0.86 3.11 5.85 -0.62 -1.36 115.31 121.13 2ctk h LEU 78 Ca -0.26 -0.35 0.22 0.00 0.84 0.00 0.00 57.88 58.33 2ctk h LEU 78 Cb 1.76 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.65 2ctk h LEU 78 CO 0.10 0.35 0.21 -0.07 -0.34 0.00 0.00 178.44 178.69 2ctk h LEU 79 N -0.36 -0.04 -0.24 2.25 3.38 -1.46 0.40 115.31 119.25 2ctk h LEU 79 Ca -0.00 0.19 -0.21 0.00 0.09 0.00 0.00 57.88 57.95 2ctk h LEU 79 Cb 0.35 0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.38 2ctk h LEU 79 CO 0.00 -0.15 -0.79 -0.33 0.09 0.00 0.00 178.44 177.26 2ctk h GLU 80 N 0.20 0.63 -0.60 1.13 5.08 -1.63 -2.55 114.58 116.83 2ctk h GLU 80 Ca 0.53 -0.53 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2ctk h GLU 80 Cb 1.05 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 2ctk h GLU 80 CO -0.65 1.15 0.24 -0.09 -1.00 0.00 0.00 179.01 178.66 2ctk h ARG 81 N 0.42 0.88 0.04 2.33 9.65 0.62 -1.52 114.38 126.80 2ctk h ARG 81 Ca -0.05 -0.14 -0.00 0.00 -1.10 0.00 0.00 59.98 58.69 2ctk h ARG 81 Cb 1.40 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 2ctk h ARG 81 CO 0.15 0.72 -0.02 0.28 2.80 0.00 0.00 179.97 183.90 2ctk h VAL 82 N 0.87 1.32 -0.95 0.20 2.07 -0.39 0.14 116.25 119.51 2ctk h VAL 82 Ca 0.21 -1.27 0.12 0.00 0.82 0.00 0.00 66.70 66.57 2ctk h VAL 82 Cb 0.17 2.15 -0.08 0.00 -1.52 0.00 0.00 31.29 32.01 2ctk h VAL 82 CO -0.02 0.32 0.61 0.11 0.02 0.00 0.00 177.57 178.60 2ctk h LYS 83 N -0.63 0.89 -0.00 1.57 1.57 -1.36 0.64 116.57 119.25 2ctk h LYS 83 Ca -0.01 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2ctk h LYS 83 Cb 0.56 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2ctk h LYS 83 CO 0.01 0.59 -0.10 0.93 -0.57 0.00 0.00 179.45 180.31 2ctk h GLU 84 N 0.92 0.07 -0.15 3.15 3.07 -1.29 -3.22 114.58 117.13 2ctk h GLU 84 Ca 0.46 -0.07 0.05 0.00 -0.50 0.00 0.00 59.36 59.29 2ctk h GLU 84 Cb 0.49 0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.37 2ctk h GLU 84 CO -0.22 0.82 -0.17 -0.07 -1.40 0.00 0.00 179.01 177.96 2ctk h LEU 85 N -0.64 -0.53 -1.98 1.33 3.38 -0.51 0.18 115.31 116.53 2ctk h LEU 85 Ca -0.01 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2ctk h LEU 85 Cb 0.85 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2ctk h LEU 85 CO 0.02 -0.22 0.20 0.06 0.09 0.00 0.00 178.44 178.59 2ctk h GLN 86 N -0.20 0.00 0.12 1.13 3.07 -1.00 0.26 115.11 118.49 2ctk h GLN 86 Ca 0.10 0.00 -0.32 0.00 0.09 0.00 0.00 58.65 58.52 2ctk h GLN 86 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.91 2ctk h GLN 86 CO -0.27 0.00 -1.71 0.00 0.09 0.00 0.00 178.83 176.93 2ctk h ALA 87 N 1.57 0.30 -0.04 0.06 0.00 -0.72 -3.17 119.26 117.26 2ctk h ALA 87 Ca 0.00 -1.25 -0.06 0.00 0.00 0.00 0.00 54.91 53.60 2ctk h ALA 87 Cb 0.40 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2ctk h ALA 87 CO 0.00 1.06 -0.21 1.05 0.00 0.00 0.00 179.25 181.15 2ctk h GLU 88 N -0.15 0.21 0.00 0.00 4.11 0.33 0.28 114.58 119.36 2ctk h GLU 88 Ca -0.37 -0.17 -0.00 0.00 0.07 0.00 0.00 59.36 58.88 2ctk h GLU 88 Cb 1.88 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 31.17 2ctk h GLU 88 CO 0.06 0.83 -0.00 -0.56 0.07 0.00 0.00 179.01 179.41 2ctk h GLN 89 N -0.35 0.00 0.03 1.06 3.07 -0.76 -3.06 115.11 115.10 2ctk h GLN 89 Ca -0.01 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.38 2ctk h GLN 89 Cb 0.87 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.39 2ctk h GLN 89 CO 0.04 0.00 -1.92 0.39 0.09 0.00 0.00 178.83 177.44 2ctk n GLU 90 N -3.10 0.63 -0.22 0.06 -0.58 -1.18 -4.37 120.64 111.87 2ctk n GLU 90 Ca -0.01 0.37 -0.06 0.00 -0.42 0.00 0.00 57.16 57.04 2ctk n GLU 90 Cb 0.20 -1.64 -0.05 0.00 -0.57 0.00 0.00 31.44 29.37 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 -4.02 -0.55 -0.33 1.62 2.03 0.99 0.20 116.55 116.48 2ctk n ASP 91 Ca -0.40 1.13 0.21 0.00 0.52 0.00 0.00 54.79 56.25 2ctk n ASP 91 Cb 0.86 -0.22 0.42 0.00 -0.72 0.00 0.00 41.12 41.46 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 0.38 -0.09 -0.67 0.11 -1.79 0.59 114.38 112.91 2ctk h ARG 92 Ca 0.08 -0.02 -0.17 0.00 0.10 0.00 0.00 59.98 59.97 2ctk h ARG 92 Cb 0.21 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.20 2ctk h ARG 92 CO -0.48 0.25 -0.68 0.00 0.10 0.00 0.00 179.97 179.16 2ctk h ALA 93 N 1.80 0.67 -0.73 0.08 0.00 0.20 -3.23 119.26 118.05 2ctk h ALA 93 Ca 0.68 -0.58 0.17 0.00 0.00 0.00 0.00 54.91 55.18 2ctk h ALA 93 Cb 1.47 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 19.07 2ctk h ALA 93 CO -0.57 0.75 0.05 1.25 0.00 0.00 0.00 179.25 180.72 2ctk h LEU 94 N 0.27 -0.25 -2.04 0.00 5.85 0.41 -3.45 115.31 116.10 2ctk h LEU 94 Ca -0.02 0.18 -0.61 0.00 0.84 0.00 0.00 57.88 58.27 2ctk h LEU 94 Cb 1.24 0.30 -0.20 0.00 0.37 0.00 0.00 40.66 42.37 2ctk h LEU 94 CO 0.12 -0.14 -0.96 0.54 -0.34 0.00 0.00 178.44 177.66 2ctk n ARG 95 N -5.30 -1.23 -3.54 1.25 1.74 -1.14 -4.91 116.66 103.54 2ctk n ARG 95 Ca 0.13 0.13 -0.01 0.00 -0.77 0.00 0.00 57.85 57.34 2ctk n ARG 95 Cb 0.46 -3.73 -0.05 0.00 -1.02 0.00 0.00 32.46 28.11 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 -4.35 -0.62 0.76 0.55 1.04 -1.26 -5.16 113.70 104.66 2ctk s SER 96 Ca 0.03 0.91 -0.16 0.00 0.48 0.00 0.00 55.95 57.20 2ctk s SER 96 Cb -0.02 1.52 -0.09 0.00 0.10 0.00 0.00 66.02 67.53 2ctk s SER 96 CO 0.99 -0.13 0.03 0.49 0.98 0.00 0.00 173.24 175.60 2ctk n PHE 97 N 4.46 -2.45 -3.64 5.02 3.72 -1.26 -5.01 117.46 118.29 2ctk n PHE 97 Ca -0.14 0.27 -0.15 0.00 -0.05 0.00 0.00 57.45 57.38 2ctk n PHE 97 Cb 0.55 -1.73 -0.08 0.00 -0.94 0.00 0.00 39.48 37.28 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 -2.24 0.79 -0.77 -1.08 2.47 -1.26 -5.05 119.74 112.60 2ctk s LYS 98 Ca 0.56 0.65 -0.07 0.00 -1.56 0.00 0.00 55.97 55.55 2ctk s LYS 98 Cb -0.33 0.38 -0.12 0.00 -1.46 0.00 0.00 37.83 36.30 2ctk s LYS 98 CO 0.67 -0.15 3.14 0.43 0.16 0.00 0.00 175.35 179.60 2ctk n SER 99 N 2.23 6.93 0.00 1.43 7.64 -1.26 -3.77 113.62 126.82 2ctk n SER 99 Ca -0.15 -2.69 0.00 0.00 1.01 0.00 0.00 58.87 57.03 2ctk n SER 99 Cb 0.56 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 2ctk n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ctk n GLY 100 N 2.54 -0.92 0.00 0.23 0.00 -1.26 -4.92 105.19 100.86 2ctk n GLY 100 Ca 0.58 0.25 0.07 0.00 0.00 0.00 0.00 46.02 46.93 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 -1.04 0.30 -3.71 1.61 -0.04 -1.26 -4.56 135.00 126.30 2ctk n PRO 101 Ca 0.00 0.10 -0.17 0.00 -0.04 0.00 0.00 63.50 63.39 2ctk n PRO 101 Cb 0.00 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 31.79 2ctk n PRO 101 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ctk s SER 102 N -2.39 0.62 0.03 3.54 0.15 -1.25 -5.10 113.70 109.30 2ctk s SER 102 Ca 0.17 0.13 -0.12 0.00 0.70 0.00 0.00 55.95 56.83 2ctk s SER 102 Cb 0.10 -0.02 -0.06 0.00 -1.71 0.00 0.00 66.02 64.34 2ctk s SER 102 CO 0.21 -0.20 0.38 -0.44 1.20 0.00 0.00 173.24 174.39 2ctk s SER 103 N 1.75 6.69 0.00 5.45 0.01 -1.26 -4.53 113.70 121.81 2ctk s SER 103 Ca -0.01 0.84 0.30 0.00 1.31 0.00 0.00 55.95 58.38 2ctk s SER 103 Cb -0.12 -2.20 1.42 0.00 0.21 0.00 0.00 66.02 65.33 2ctk s SER 103 CO -0.04 0.26 1.95 0.61 0.41 0.00 0.00 173.24 176.43