#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cwk s THR 7 N 0.00 3.07 0.17 2.62 2.01 -1.26 -1.03 115.64 121.22 2cwk s THR 7 Ca 0.00 0.84 -0.01 0.00 0.31 0.00 0.00 61.69 62.83 2cwk s THR 7 Cb 0.00 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 2cwk s THR 7 CO 0.00 0.11 0.09 -1.61 -0.69 0.00 0.00 174.62 172.51 2cwk s GLU 8 N 0.27 1.07 -0.03 4.92 2.02 -0.27 -4.88 118.70 121.81 2cwk s GLU 8 Ca 0.60 -1.54 0.07 0.00 0.02 0.00 0.00 54.97 54.13 2cwk s GLU 8 Cb -0.38 0.22 -0.02 0.00 0.10 0.00 0.00 34.13 34.05 2cwk s GLU 8 CO 0.36 -0.32 -0.25 1.03 0.02 0.00 0.00 175.26 176.11 2cwk s ARG 9 N -4.09 2.17 0.10 1.61 0.52 -1.26 -1.46 118.95 116.54 2cwk s ARG 9 Ca 0.31 -0.90 0.03 0.00 -0.52 0.00 0.00 55.73 54.65 2cwk s ARG 9 Cb 0.07 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 33.49 2cwk s ARG 9 CO 0.07 0.50 -0.08 -0.08 0.02 0.00 0.00 175.30 175.72 2cwk s THR 10 N -0.47 0.82 -0.14 0.02 -1.32 0.09 -4.77 115.64 109.87 2cwk s THR 10 Ca 0.06 -1.78 -0.04 0.00 -1.21 0.00 0.00 61.69 58.71 2cwk s THR 10 Cb -0.11 -1.51 -0.03 0.00 -1.51 0.00 0.00 72.50 69.34 2cwk s THR 10 CO 0.00 -0.72 0.02 -0.22 -2.21 0.00 0.00 174.62 171.50 2cwk s LEU 11 N -2.74 3.64 -0.01 9.08 0.20 -1.26 -0.95 118.68 126.63 2cwk s LEU 11 Ca 0.09 0.08 0.07 0.00 0.69 0.00 0.00 54.13 55.06 2cwk s LEU 11 Cb 0.01 -1.88 -0.02 0.00 -0.43 0.00 0.00 46.19 43.88 2cwk s LEU 11 CO -0.02 0.26 -0.23 -0.69 -0.29 0.00 0.00 176.35 175.38 2cwk s VAL 12 N -0.18 1.81 -0.16 1.68 1.01 0.04 -1.88 120.40 122.72 2cwk s VAL 12 Ca 0.06 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.04 2cwk s VAL 12 Cb -0.12 -1.51 0.02 0.00 0.00 0.00 0.00 36.38 34.77 2cwk s VAL 12 CO 0.02 0.48 -0.17 -0.63 0.00 0.00 0.00 175.10 174.80 2cwk s ILE 13 N -0.56 1.82 -0.55 2.22 1.01 -0.67 -0.99 121.20 123.48 2cwk s ILE 13 Ca 0.09 -0.80 -0.24 0.00 0.00 0.00 0.00 60.65 59.70 2cwk s ILE 13 Cb -0.09 -1.66 0.04 0.00 0.01 0.00 0.00 42.46 40.76 2cwk s ILE 13 CO -0.01 0.50 0.96 -0.63 0.00 0.00 0.00 174.94 175.76 2cwk s ILE 14 N 1.29 4.37 0.92 2.92 1.01 0.45 -0.72 121.20 131.43 2cwk s ILE 14 Ca 0.03 0.31 -0.11 0.00 0.00 0.00 0.00 60.65 60.88 2cwk s ILE 14 Cb -0.13 -4.55 0.14 0.00 0.01 0.00 0.00 42.46 37.93 2cwk s ILE 14 CO -0.10 -1.13 1.09 -0.54 0.00 0.00 0.00 174.94 174.27 2cwk s LYS 15 N 4.00 1.08 0.32 2.79 1.02 -0.52 -2.27 119.74 126.18 2cwk s LYS 15 Ca 0.31 0.97 0.10 0.00 0.02 0.00 0.00 55.97 57.38 2cwk s LYS 15 Cb -0.12 -1.78 0.92 0.00 -0.52 0.00 0.00 37.83 36.33 2cwk s LYS 15 CO 0.20 -2.40 1.71 -1.35 -0.92 0.00 0.00 175.35 172.59 2cwk h PRO 16 N -1.67 0.50 -0.63 -1.68 0.11 -1.83 0.09 132.00 126.89 2cwk h PRO 16 Ca -0.49 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 2cwk h PRO 16 Cb 1.28 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2cwk h PRO 16 CO 0.52 0.33 0.22 0.38 -0.21 0.00 0.00 178.00 179.24 2cwk h ASP 17 N 0.51 0.86 -0.21 -2.05 2.03 -1.90 -0.07 116.42 115.59 2cwk h ASP 17 Ca 0.66 -0.13 -0.19 0.00 -0.73 0.00 0.00 57.03 56.64 2cwk h ASP 17 Cb 1.32 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 39.60 2cwk h ASP 17 CO -0.51 0.79 -0.59 0.00 -1.03 0.00 0.00 179.24 177.90 2cwk h ALA 18 N 1.33 0.47 -0.11 4.15 0.00 -1.23 -1.95 119.26 121.93 2cwk h ALA 18 Ca 0.21 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2cwk h ALA 18 Cb 0.22 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2cwk h ALA 18 CO -0.01 0.69 0.01 0.28 0.00 0.00 0.00 179.25 180.21 2cwk h VAL 19 N 0.61 1.23 -0.75 0.00 2.07 -1.06 -0.98 116.25 117.37 2cwk h VAL 19 Ca 0.00 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 2cwk h VAL 19 Cb 1.20 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 32.45 2cwk h VAL 19 CO 0.13 0.21 0.44 0.58 0.02 0.00 0.00 177.57 178.95 2cwk h VAL 20 N -0.07 1.21 -0.00 2.57 2.07 -1.04 -2.29 116.25 118.70 2cwk h VAL 20 Ca 0.03 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2cwk h VAL 20 Cb 0.32 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2cwk h VAL 20 CO 0.00 0.23 -0.01 0.54 0.02 0.00 0.00 177.57 178.35 2cwk n ARG 21 N -4.38 1.01 -3.03 1.57 1.74 -0.73 -4.92 116.66 107.92 2cwk n ARG 21 Ca 0.08 -0.14 -0.12 0.00 -0.77 0.00 0.00 57.85 56.90 2cwk n ARG 21 Cb 0.08 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.06 2cwk n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cwk n GLY 22 N 1.07 0.17 0.76 -0.13 0.00 -0.86 -4.96 105.19 101.23 2cwk n GLY 22 Ca 0.22 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 46.11 2cwk n GLY 22 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cwk n LEU 23 N -2.79 2.98 -0.03 0.99 4.77 -0.42 -4.67 117.00 117.84 2cwk n LEU 23 Ca -0.01 -1.83 -0.08 0.00 -0.03 0.00 0.00 56.01 54.05 2cwk n LEU 23 Cb 0.54 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 2cwk n LEU 23 CO 0.33 0.72 0.80 0.40 -1.33 0.00 0.00 177.39 178.31 2cwk h ILE 24 N 2.55 0.72 -0.25 -0.08 2.04 -1.90 -2.22 117.51 118.37 2cwk h ILE 24 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2cwk h ILE 24 Cb 0.75 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2cwk h ILE 24 CO 0.00 0.00 0.16 1.23 0.00 0.00 0.00 178.15 179.54 2cwk h GLY 25 N -0.07 0.36 0.98 5.37 0.00 -1.96 -1.80 103.07 105.94 2cwk h GLY 25 Ca 0.10 -0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.30 2cwk h GLY 25 CO -0.23 0.14 0.62 0.83 0.00 0.00 0.00 176.54 177.89 2cwk h GLU 26 N 0.32 1.21 -0.07 4.80 5.08 -1.84 -0.74 114.58 123.33 2cwk h GLU 26 Ca 0.09 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2cwk h GLU 26 Cb -0.01 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 28.97 2cwk h GLU 26 CO -0.02 0.80 0.01 0.82 -1.00 0.00 0.00 179.01 179.62 2cwk h ILE 27 N 1.24 1.23 -0.94 3.13 2.04 -1.24 -2.75 117.51 120.22 2cwk h ILE 27 Ca 0.35 -0.71 0.02 0.00 1.00 0.00 0.00 64.86 65.52 2cwk h ILE 27 Cb -0.11 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 2cwk h ILE 27 CO -0.09 0.20 0.62 0.40 0.00 0.00 0.00 178.15 179.28 2cwk h ILE 28 N -0.14 1.20 -0.63 -0.67 2.04 -1.06 -2.16 117.51 116.08 2cwk h ILE 28 Ca 0.02 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.47 2cwk h ILE 28 Cb 0.31 -0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.21 2cwk h ILE 28 CO 0.00 0.22 0.42 0.28 0.00 0.00 0.00 178.15 179.08 2cwk h SER 29 N 1.23 0.72 -0.58 1.72 0.02 -1.03 -0.93 113.55 114.70 2cwk h SER 29 Ca 0.36 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.24 2cwk h SER 29 Cb -0.06 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 2cwk h SER 29 CO -0.10 0.52 0.15 0.03 -1.14 0.00 0.00 176.83 176.29 2cwk h ARG 30 N 0.85 0.95 -0.28 3.45 3.08 -1.09 0.11 114.38 121.45 2cwk h ARG 30 Ca 0.23 -0.21 -0.18 0.00 0.07 0.00 0.00 59.98 59.90 2cwk h ARG 30 Cb -0.08 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.83 2cwk h ARG 30 CO -0.05 0.85 -0.52 0.74 -1.07 0.00 0.00 179.97 179.91 2cwk h PHE 31 N 0.91 1.06 -0.42 3.04 0.04 -1.24 -2.73 116.94 117.61 2cwk h PHE 31 Ca 0.20 -0.38 -0.04 0.00 2.80 0.00 0.00 57.97 60.55 2cwk h PHE 31 Cb 0.32 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 2cwk h PHE 31 CO 0.02 1.20 0.11 0.93 -0.60 0.00 0.00 178.31 179.97 2cwk h GLU 32 N 0.62 0.66 0.00 1.51 5.08 -0.91 -1.97 114.58 119.57 2cwk h GLU 32 Ca 0.01 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 2cwk h GLU 32 Cb 1.13 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2cwk h GLU 32 CO 0.12 0.66 -0.22 1.57 -1.00 0.00 0.00 179.01 180.14 2cwk h LYS 33 N 0.53 0.00 0.00 2.33 2.10 -1.01 -1.95 116.57 118.57 2cwk h LYS 33 Ca 0.13 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.72 2cwk h LYS 33 Cb 0.29 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.61 2cwk h LYS 33 CO -0.00 0.22 -0.30 -0.22 -2.00 0.00 0.00 179.45 177.15 2cwk h LYS 34 N 0.00 0.00 0.00 0.07 1.63 -1.23 -3.46 116.57 113.58 2cwk h LYS 34 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2cwk h LYS 34 Cb 0.59 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 2cwk h LYS 34 CO 0.03 0.30 0.00 0.41 -3.45 0.00 0.00 179.45 176.74 2cwk n GLY 35 N 0.03 0.82 3.78 5.01 0.00 -0.73 -5.10 105.19 109.00 2cwk n GLY 35 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2cwk n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cwk s LEU 36 N 0.00 4.13 -0.16 0.99 1.43 -0.76 -4.95 118.68 119.36 2cwk s LEU 36 Ca 0.00 2.13 -0.05 0.00 -1.03 0.00 0.00 54.13 55.18 2cwk s LEU 36 Cb 0.00 -4.16 -0.04 0.00 0.03 0.00 0.00 46.19 42.02 2cwk s LEU 36 CO 0.00 -0.59 0.03 -0.75 0.23 0.00 0.00 176.35 175.27 2cwk s LYS 37 N -2.49 3.70 -0.40 1.70 2.20 -0.23 -4.31 119.74 119.91 2cwk s LYS 37 Ca 0.59 -0.39 -0.24 0.00 -0.36 0.00 0.00 55.97 55.56 2cwk s LYS 37 Cb -0.25 -3.06 0.02 0.00 -1.51 0.00 0.00 37.83 33.03 2cwk s LYS 37 CO 0.31 0.36 0.86 0.42 -0.36 0.00 0.00 175.35 176.94 2cwk s ILE 38 N 0.09 4.62 -1.63 5.43 1.01 -1.26 -0.31 121.20 129.14 2cwk s ILE 38 Ca 0.03 0.88 0.18 0.00 0.00 0.00 0.00 60.65 61.74 2cwk s ILE 38 Cb -0.13 -4.31 -0.00 0.00 0.01 0.00 0.00 42.46 38.03 2cwk s ILE 38 CO 0.01 -0.60 0.92 1.33 0.00 0.00 0.00 174.94 176.61 2cwk n VAL 39 N 6.04 0.00 -3.60 2.92 0.24 -0.40 -4.97 118.33 118.57 2cwk n VAL 39 Ca 0.05 -0.32 -0.12 0.00 -2.04 0.00 0.00 64.34 61.91 2cwk n VAL 39 Cb 0.48 1.21 -0.06 0.00 -1.47 0.00 0.00 33.84 34.00 2cwk n VAL 39 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2cwk s GLY 40 N -2.03 -0.32 -0.25 7.63 0.00 -1.23 -0.28 107.32 110.84 2cwk s GLY 40 Ca 0.15 2.15 -0.27 0.00 0.00 0.00 0.00 44.72 46.75 2cwk s GLY 40 CO 0.44 1.42 1.14 -0.29 0.00 0.00 0.00 173.10 175.81 2cwk s MET 41 N -0.41 0.40 -0.18 2.90 0.00 -1.26 -0.79 119.30 119.96 2cwk s MET 41 Ca -0.01 0.29 -0.30 0.00 0.00 0.00 0.00 55.69 55.67 2cwk s MET 41 Cb -0.03 0.19 0.13 0.00 0.00 0.00 0.00 34.83 35.13 2cwk s MET 41 CO 0.00 -0.08 1.04 -1.59 0.00 0.00 0.00 175.02 174.38 2cwk s LYS 42 N -0.38 0.54 -0.16 4.11 -2.85 -0.45 -5.01 119.74 115.54 2cwk s LYS 42 Ca 0.03 0.16 -0.17 0.00 -1.00 0.00 0.00 55.97 54.99 2cwk s LYS 42 Cb -0.03 0.25 -0.04 0.00 -2.06 0.00 0.00 37.83 35.95 2cwk s LYS 42 CO -0.06 -0.16 0.46 1.41 0.10 0.00 0.00 175.35 177.10 2cwk s MET 43 N -1.00 4.26 0.13 1.78 -2.45 -1.26 -1.17 119.30 119.59 2cwk s MET 43 Ca -0.00 0.36 -0.00 0.00 -1.25 0.00 0.00 55.69 54.80 2cwk s MET 43 Cb -0.01 -3.49 -0.04 0.00 1.25 0.00 0.00 34.83 32.54 2cwk s MET 43 CO 0.00 0.04 0.03 0.96 1.05 0.00 0.00 175.02 177.10 2cwk s ILE 44 N 1.03 0.24 -0.33 10.11 -4.36 -0.62 -4.97 121.20 122.32 2cwk s ILE 44 Ca 0.23 -1.92 0.03 0.00 -0.26 0.00 0.00 60.65 58.73 2cwk s ILE 44 Cb -0.15 -2.01 0.09 0.00 1.25 0.00 0.00 42.46 41.64 2cwk s ILE 44 CO 0.09 -0.52 0.03 0.86 0.24 0.00 0.00 174.94 175.64 2cwk s TRP 45 N -3.95 3.60 0.15 1.37 -0.11 -1.26 -0.53 118.94 118.21 2cwk s TRP 45 Ca 0.22 -2.72 -0.31 0.00 1.22 0.00 0.00 56.10 54.52 2cwk s TRP 45 Cb 0.07 -2.69 -0.09 0.00 -1.50 0.00 0.00 33.47 29.27 2cwk s TRP 45 CO 0.01 -0.93 1.46 0.42 -4.62 0.00 0.00 176.95 173.29 2cwk s ILE 46 N 1.00 2.99 0.54 5.86 1.01 -1.26 -5.03 121.20 126.31 2cwk s ILE 46 Ca 0.05 0.73 0.01 0.00 0.00 0.00 0.00 60.65 61.44 2cwk s ILE 46 Cb -0.20 -3.47 0.03 0.00 0.01 0.00 0.00 42.46 38.84 2cwk s ILE 46 CO -0.06 0.06 0.77 1.51 0.00 0.00 0.00 174.94 177.21 2cwk s ASP 47 N 1.02 5.32 0.25 3.58 1.47 -1.26 -4.58 116.67 122.48 2cwk s ASP 47 Ca 0.66 0.01 -0.04 0.00 1.18 0.00 0.00 52.55 54.36 2cwk s ASP 47 Cb -0.40 -0.93 0.42 0.00 -0.34 0.00 0.00 42.92 41.67 2cwk s ASP 47 CO 0.32 -1.11 1.81 0.03 0.68 0.00 0.00 175.17 176.90 2cwk h ARG 48 N 0.10 0.77 -0.47 2.11 3.08 -1.95 -0.90 114.38 117.11 2cwk h ARG 48 Ca -0.42 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 59.59 2cwk h ARG 48 Cb 1.29 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 31.14 2cwk h ARG 48 CO 0.53 0.51 0.31 1.49 -1.07 0.00 0.00 179.97 181.73 2cwk h GLU 49 N 0.80 0.60 -0.40 0.04 4.81 -1.99 0.71 114.58 119.15 2cwk h GLU 49 Ca 0.41 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.46 2cwk h GLU 49 Cb 0.39 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2cwk h GLU 49 CO -0.25 0.40 -0.33 1.25 -0.73 0.00 0.00 179.01 179.35 2cwk h LEU 50 N 0.62 0.96 -0.55 1.64 5.85 -1.86 -2.54 115.31 119.42 2cwk h LEU 50 Ca 0.18 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 2cwk h LEU 50 Cb -0.05 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 2cwk h LEU 50 CO -0.05 1.19 0.29 0.00 -0.34 0.00 0.00 178.44 179.53 2cwk h ALA 51 N 0.86 0.71 0.00 1.25 0.00 -0.83 -1.49 119.26 119.76 2cwk h ALA 51 Ca 0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2cwk h ALA 51 Cb 0.90 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2cwk h ALA 51 CO 0.08 0.25 -0.24 0.93 0.00 0.00 0.00 179.25 180.27 2cwk h GLU 52 N 0.75 0.00 -0.07 0.00 5.08 -0.78 -1.15 114.58 118.41 2cwk h GLU 52 Ca 0.19 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.36 2cwk h GLU 52 Cb 0.08 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.34 2cwk h GLU 52 CO -0.03 0.24 -0.72 0.87 -1.00 0.00 0.00 179.01 178.38 2cwk h LYS 53 N 0.00 0.61 -0.54 2.33 1.57 -1.00 -0.79 116.57 118.74 2cwk h LYS 53 Ca -0.00 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 2cwk h LYS 53 Cb 0.56 0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 2cwk h LYS 53 CO 0.03 1.18 0.35 1.25 -0.57 0.00 0.00 179.45 181.69 2cwk h HIS 54 N 0.23 0.69 -0.95 -1.35 2.76 -0.89 -2.71 115.15 112.94 2cwk h HIS 54 Ca -0.07 0.01 -0.47 0.00 -2.20 0.00 0.00 60.37 57.64 2cwk h HIS 54 Cb 1.38 -0.23 -0.28 0.00 1.55 0.00 0.00 27.41 29.82 2cwk h HIS 54 CO 0.11 0.45 0.59 0.66 -1.30 0.00 0.00 177.93 178.44 2cwk n TYR 55 N -4.69 2.97 -0.21 5.26 4.01 -0.47 -4.70 117.16 119.33 2cwk n TYR 55 Ca 0.03 -1.74 0.25 0.00 -0.16 0.00 0.00 57.90 56.28 2cwk n TYR 55 Cb 0.03 -0.90 0.64 0.00 -0.31 0.00 0.00 39.34 38.79 2cwk n TYR 55 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 2cwk h GLU 56 N 1.28 0.16 0.00 -0.72 4.11 -0.80 -0.10 114.58 118.52 2cwk h GLU 56 Ca 0.58 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 60.00 2cwk h GLU 56 Cb 2.78 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 32.00 2cwk h GLU 56 CO 1.04 0.11 0.00 1.05 0.07 0.00 0.00 179.01 181.28 2cwk h GLU 57 N 0.17 0.00 -0.35 1.06 4.11 -1.86 -2.59 114.58 115.12 2cwk h GLU 57 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.88 2cwk h GLU 57 Cb 1.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.75 2cwk h GLU 57 CO -0.08 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.72 2cwk n HIS 58 N -2.82 0.45 -0.34 2.06 8.25 -0.05 -4.69 115.22 118.07 2cwk n HIS 58 Ca -0.01 -0.29 0.19 0.00 -0.26 0.00 0.00 57.72 57.35 2cwk n HIS 58 Cb 0.18 -0.01 0.41 0.00 1.12 0.00 0.00 29.99 31.70 2cwk n HIS 58 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2cwk h ARG 59 N 3.44 0.53 -0.02 -0.41 2.43 -1.49 -1.21 114.38 117.65 2cwk h ARG 59 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2cwk h ARG 59 Cb 0.83 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2cwk h ARG 59 CO 0.00 0.35 0.00 0.39 -1.51 0.00 0.00 179.97 179.20 2cwk n GLU 60 N -4.80 1.57 -3.35 0.20 1.02 -1.26 -4.91 120.64 109.11 2cwk n GLU 60 Ca 0.26 -0.82 -0.34 0.00 -0.02 0.00 0.00 57.16 56.24 2cwk n GLU 60 Cb 0.77 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.66 2cwk n GLU 60 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2cwk s LYS 61 N -1.99 3.92 0.56 3.49 1.02 -0.46 -4.99 119.74 121.28 2cwk s LYS 61 Ca 0.39 0.43 0.24 0.00 0.02 0.00 0.00 55.97 57.06 2cwk s LYS 61 Cb 0.21 -2.76 1.58 0.00 -0.52 0.00 0.00 37.83 36.34 2cwk s LYS 61 CO 0.34 0.37 2.20 -1.00 -0.92 0.00 0.00 175.35 176.33 2cwk h PRO 62 N 2.98 0.00 -0.00 -1.68 0.13 -1.91 -2.24 132.00 129.28 2cwk h PRO 62 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2cwk h PRO 62 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2cwk h PRO 62 CO 0.67 0.02 -0.06 1.97 -0.23 0.00 0.00 178.00 180.38 2cwk n PHE 63 N -4.07 0.00 -0.01 1.56 1.16 -1.26 -4.29 117.46 110.56 2cwk n PHE 63 Ca -0.03 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.45 2cwk n PHE 63 Cb 0.11 -0.18 -0.04 0.00 -1.61 0.00 0.00 39.48 37.76 2cwk n PHE 63 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 2cwk h PHE 64 N 0.37 -0.88 -0.51 2.97 3.57 -1.63 -1.74 116.94 119.10 2cwk h PHE 64 Ca 0.00 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.62 2cwk h PHE 64 Cb 0.29 0.41 -0.06 0.00 2.79 0.00 0.00 35.95 39.37 2cwk h PHE 64 CO 0.00 -0.39 0.14 -0.22 -2.23 0.00 0.00 178.31 175.61 2cwk h LYS 65 N -0.38 0.29 -0.16 1.11 3.64 -1.82 -0.63 116.57 118.63 2cwk h LYS 65 Ca 0.10 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 2cwk h LYS 65 Cb 0.54 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2cwk h LYS 65 CO -0.37 0.19 -0.18 0.00 -2.27 0.00 0.00 179.45 176.83 2cwk h ALA 66 N 1.37 1.42 -0.37 5.00 0.00 -1.78 -0.46 119.26 124.43 2cwk h ALA 66 Ca 0.25 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 2cwk h ALA 66 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2cwk h ALA 66 CO -0.29 0.40 -0.26 1.25 0.00 0.00 0.00 179.25 180.36 2cwk h LEU 67 N 0.24 0.87 -0.54 0.00 5.85 -0.36 -1.50 115.31 119.88 2cwk h LEU 67 Ca 0.05 -0.43 -0.11 0.00 0.84 0.00 0.00 57.88 58.22 2cwk h LEU 67 Cb 0.46 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2cwk h LEU 67 CO 0.03 1.12 -0.10 0.40 -0.34 0.00 0.00 178.44 179.54 2cwk h ILE 68 N 0.62 1.27 -0.74 4.05 1.08 -0.76 -1.70 117.51 121.34 2cwk h ILE 68 Ca 0.07 -1.25 0.02 0.00 -0.39 0.00 0.00 64.86 63.31 2cwk h ILE 68 Cb 0.83 0.98 -0.04 0.00 -3.07 0.00 0.00 36.82 35.51 2cwk h ILE 68 CO 0.07 0.44 0.48 0.44 -0.69 0.00 0.00 178.15 178.89 2cwk h ASP 69 N 0.89 0.81 0.27 1.72 3.32 -0.96 -2.44 116.42 120.03 2cwk h ASP 69 Ca 0.14 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2cwk h ASP 69 Cb 0.67 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2cwk h ASP 69 CO 0.05 0.57 -0.13 0.22 -1.72 0.00 0.00 179.24 178.23 2cwk h TYR 70 N 0.96 -0.34 0.00 4.55 3.20 -1.01 -2.43 116.97 121.90 2cwk h TYR 70 Ca 0.28 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.14 2cwk h TYR 70 Cb -0.06 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.33 2cwk h TYR 70 CO -0.03 -0.06 0.00 0.97 -1.64 0.00 0.00 178.16 177.40 2cwk h ILE 71 N -0.59 0.00 -0.34 1.81 6.09 -1.25 -2.49 117.51 120.74 2cwk h ILE 71 Ca -0.04 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 63.18 2cwk h ILE 71 Cb 0.43 1.12 0.00 0.00 0.47 0.00 0.00 36.82 38.84 2cwk h ILE 71 CO 0.06 0.00 0.00 0.35 -3.07 0.00 0.00 178.15 175.49 2cwk n THR 72 N -2.72 0.69 -0.26 2.19 -2.24 -0.93 -4.66 114.28 106.36 2cwk n THR 72 Ca 0.00 -0.85 -0.05 0.00 -2.27 0.00 0.00 64.05 60.89 2cwk n THR 72 Cb 0.21 0.75 0.06 0.00 -2.10 0.00 0.00 70.33 69.25 2cwk n THR 72 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2cwk h LYS 73 N 2.84 0.96 -4.28 -0.78 3.64 -0.95 -3.46 116.57 114.53 2cwk h LYS 73 Ca 0.00 -0.06 -0.28 0.00 -1.27 0.00 0.00 60.65 59.04 2cwk h LYS 73 Cb 0.76 -0.22 -0.10 0.00 -0.41 0.00 0.00 32.23 32.27 2cwk h LYS 73 CO 0.00 0.63 -0.30 0.95 -2.27 0.00 0.00 179.45 178.47 2cwk s THR 74 N -6.14 0.00 0.80 1.00 -4.23 -1.26 -5.13 115.64 100.68 2cwk s THR 74 Ca -0.13 -1.71 -0.12 0.00 -1.18 0.00 0.00 61.69 58.55 2cwk s THR 74 Cb 0.15 -2.55 0.08 0.00 1.34 0.00 0.00 72.50 71.52 2cwk s THR 74 CO 0.78 0.00 1.15 -2.84 -0.54 0.00 0.00 174.62 173.16 2cwk s PRO 75 N -3.38 1.83 0.34 3.99 0.02 -1.26 -4.69 135.00 131.85 2cwk s PRO 75 Ca 0.33 1.51 0.03 0.00 0.02 0.00 0.00 61.00 62.89 2cwk s PRO 75 Cb 0.01 -1.82 -0.05 0.00 0.02 0.00 0.00 34.50 32.66 2cwk s PRO 75 CO 0.19 -2.02 0.09 0.14 -0.33 0.00 0.00 177.00 175.08 2cwk s VAL 76 N -2.47 0.90 -0.22 3.83 -7.23 0.31 -4.46 120.40 111.05 2cwk s VAL 76 Ca 0.68 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.85 2cwk s VAL 76 Cb -0.23 -2.63 0.02 0.00 0.56 0.00 0.00 36.38 34.11 2cwk s VAL 76 CO 0.52 0.00 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.49 2cwk s VAL 77 N -3.34 2.47 -0.14 1.32 1.01 -0.96 -1.58 120.40 119.17 2cwk s VAL 77 Ca 0.33 -1.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 2cwk s VAL 77 Cb 0.07 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 2cwk s VAL 77 CO 0.15 0.33 0.13 0.68 0.00 0.00 0.00 175.10 176.39 2cwk s VAL 78 N 1.29 5.40 0.03 2.92 -7.23 -0.32 -0.41 120.40 122.08 2cwk s VAL 78 Ca 0.01 0.17 -0.13 0.00 -1.81 0.00 0.00 61.98 60.23 2cwk s VAL 78 Cb -0.15 -3.38 0.02 0.00 0.56 0.00 0.00 36.38 33.42 2cwk s VAL 78 CO -0.08 0.57 0.28 0.00 -0.31 0.00 0.00 175.10 175.56 2cwk s MET 79 N -0.63 0.74 -0.18 4.82 0.23 -0.16 -1.34 119.30 122.79 2cwk s MET 79 Ca 0.13 -0.46 -0.03 0.00 -1.03 0.00 0.00 55.69 54.30 2cwk s MET 79 Cb -0.12 0.32 -0.02 0.00 -1.53 0.00 0.00 34.83 33.49 2cwk s MET 79 CO 0.02 -0.23 -0.06 0.08 -2.03 0.00 0.00 175.02 172.80 2cwk s VAL 80 N -2.24 3.44 -0.10 5.16 1.01 0.03 -0.78 120.40 126.92 2cwk s VAL 80 Ca -0.07 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 2cwk s VAL 80 Cb -0.02 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 2cwk s VAL 80 CO -0.02 0.47 -0.02 -0.76 0.00 0.00 0.00 175.10 174.77 2cwk s LEU 81 N 0.84 3.40 -0.05 3.92 1.43 -0.13 -1.28 118.68 126.82 2cwk s LEU 81 Ca -0.02 0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.17 2cwk s LEU 81 Cb -0.15 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 2cwk s LEU 81 CO 0.01 0.32 -0.22 -0.70 0.23 0.00 0.00 176.35 175.99 2cwk s GLU 82 N -0.53 2.27 0.00 1.70 2.12 0.58 -0.73 118.70 124.11 2cwk s GLU 82 Ca 0.09 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.61 2cwk s GLU 82 Cb -0.12 -1.95 0.00 0.00 0.26 0.00 0.00 34.13 32.33 2cwk s GLU 82 CO 0.02 0.34 0.00 0.41 -0.54 0.00 0.00 175.26 175.49 2cwk n GLY 83 N 3.00 0.00 3.67 -1.50 0.00 -0.53 -1.07 105.19 108.76 2cwk n GLY 83 Ca -0.18 -1.01 -0.44 0.00 0.00 0.00 0.00 46.02 44.39 2cwk n GLY 83 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2cwk n ARG 84 N -0.34 2.67 -4.19 1.61 0.63 -1.26 -1.12 116.66 114.67 2cwk n ARG 84 Ca 0.00 0.98 -0.35 0.00 -0.92 0.00 0.00 57.85 57.56 2cwk n ARG 84 Cb 0.00 -2.90 -0.03 0.00 0.45 0.00 0.00 32.46 29.99 2cwk n ARG 84 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2cwk n TYR 85 N 7.05 -1.72 -0.32 -0.14 4.01 -0.19 -4.84 117.16 121.01 2cwk n TYR 85 Ca 0.20 0.79 0.10 0.00 -0.16 0.00 0.00 57.90 58.83 2cwk n TYR 85 Cb 0.37 -3.06 0.32 0.00 -0.31 0.00 0.00 39.34 36.66 2cwk n TYR 85 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2cwk h ALA 86 N 0.90 1.69 0.59 -0.72 0.00 -1.62 -1.92 119.26 118.18 2cwk h ALA 86 Ca -0.60 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 2cwk h ALA 86 Cb 1.38 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2cwk h ALA 86 CO 0.76 0.05 -0.37 0.28 0.00 0.00 0.00 179.25 179.97 2cwk h VAL 87 N 0.83 0.24 -0.16 0.00 2.07 -1.87 -0.10 116.25 117.25 2cwk h VAL 87 Ca 0.48 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.87 2cwk h VAL 87 Cb 0.64 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2cwk h VAL 87 CO -0.25 0.00 -0.45 1.05 0.02 0.00 0.00 177.57 177.95 2cwk h GLU 88 N -0.92 0.39 -0.56 1.57 4.11 -1.88 -2.57 114.58 114.72 2cwk h GLU 88 Ca -0.07 -0.20 -0.05 0.00 0.07 0.00 0.00 59.36 59.10 2cwk h GLU 88 Cb 0.75 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 2cwk h GLU 88 CO 0.07 0.76 0.14 0.28 0.07 0.00 0.00 179.01 180.32 2cwk h VAL 89 N 0.31 1.25 -0.36 -1.06 2.07 -1.24 -1.28 116.25 115.95 2cwk h VAL 89 Ca 0.02 -0.88 -0.12 0.00 0.82 0.00 0.00 66.70 66.54 2cwk h VAL 89 Cb 0.91 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2cwk h VAL 89 CO 0.08 0.33 -0.28 0.58 0.02 0.00 0.00 177.57 178.29 2cwk h VAL 90 N 0.80 1.28 -0.90 2.57 2.07 -0.95 -0.90 116.25 120.22 2cwk h VAL 90 Ca 0.18 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 2cwk h VAL 90 Cb 0.34 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 2cwk h VAL 90 CO 0.00 0.47 0.49 0.03 0.02 0.00 0.00 177.57 178.58 2cwk h ARG 91 N 0.64 1.25 -0.50 1.57 3.08 -1.23 0.57 114.38 119.75 2cwk h ARG 91 Ca 0.08 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 2cwk h ARG 91 Cb 0.80 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2cwk h ARG 91 CO 0.07 0.91 0.06 -0.22 -1.07 0.00 0.00 179.97 179.72 2cwk h LYS 92 N 1.26 0.85 -0.13 0.04 3.64 -0.88 -2.46 116.57 118.89 2cwk h LYS 92 Ca 0.32 -0.24 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 2cwk h LYS 92 Cb 0.02 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2cwk h LYS 92 CO -0.05 0.85 -0.24 0.52 -2.27 0.00 0.00 179.45 178.26 2cwk h MET 93 N 0.72 0.23 -0.30 1.90 2.86 -0.59 -3.03 114.93 116.72 2cwk h MET 93 Ca 0.15 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 2cwk h MET 93 Cb 0.42 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 2cwk h MET 93 CO 0.01 0.47 -0.05 0.00 1.06 0.00 0.00 176.91 178.40 2cwk h ALA 94 N 1.54 0.42 0.00 6.32 0.00 -0.57 0.04 119.26 127.02 2cwk h ALA 94 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2cwk h ALA 94 Cb 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2cwk h ALA 94 CO 0.04 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.91 2cwk n GLY 95 N -0.22 -0.25 3.54 0.00 0.00 -0.96 -1.19 105.19 106.12 2cwk n GLY 95 Ca -0.03 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 2cwk n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwk n ALA 96 N 0.19 -0.67 -0.19 4.61 0.00 -1.26 -4.89 120.51 118.29 2cwk n ALA 96 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2cwk n ALA 96 Cb 0.00 -1.93 0.10 0.00 0.00 0.00 0.00 19.45 17.61 2cwk n ALA 96 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2cwk h THR 97 N 1.37 0.55 -3.60 0.00 2.02 -1.95 -3.34 112.91 107.95 2cwk h THR 97 Ca -0.41 -0.05 -0.63 0.00 0.77 0.00 0.00 66.41 66.09 2cwk h THR 97 Cb 1.37 0.38 -0.14 0.00 -1.74 0.00 0.00 68.15 68.02 2cwk h THR 97 CO 0.56 0.03 -0.02 -0.62 0.37 0.00 0.00 175.52 175.84 2cwk s ASP 98 N -5.25 6.36 0.52 4.18 -1.08 -1.26 -4.76 116.67 115.38 2cwk s ASP 98 Ca -0.13 0.17 0.33 0.00 -0.52 0.00 0.00 52.55 52.39 2cwk s ASP 98 Cb 0.18 -2.28 1.47 0.00 -1.46 0.00 0.00 42.92 40.83 2cwk s ASP 98 CO 0.74 -0.43 1.82 -0.65 0.52 0.00 0.00 175.17 177.17 2cwk h PRO 99 N 8.32 0.06 0.00 4.34 0.11 -1.84 0.62 132.00 143.60 2cwk h PRO 99 Ca -0.28 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 2cwk h PRO 99 Cb 1.13 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2cwk h PRO 99 CO 0.76 0.04 -0.11 1.57 -0.21 0.00 0.00 178.00 180.04 2cwk h LYS 100 N 0.06 0.00 -0.00 1.05 2.10 -1.83 -1.91 116.57 116.04 2cwk h LYS 100 Ca 0.53 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.18 2cwk h LYS 100 Cb 2.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.33 2cwk h LYS 100 CO -0.05 0.11 -0.66 -0.25 -2.00 0.00 0.00 179.45 176.60 2cwk n ASP 101 N -4.04 0.67 -4.75 7.07 8.00 0.20 -4.95 116.55 118.75 2cwk n ASP 101 Ca -0.02 -0.50 -0.41 0.00 0.71 0.00 0.00 54.79 54.57 2cwk n ASP 101 Cb 0.20 0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 41.76 2cwk n ASP 101 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cwk s ALA 102 N -2.99 3.47 0.40 2.24 0.00 -0.72 -4.72 121.76 119.44 2cwk s ALA 102 Ca 0.10 1.05 -0.25 0.00 0.00 0.00 0.00 51.96 52.86 2cwk s ALA 102 Cb 0.17 -3.43 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 2cwk s ALA 102 CO 0.75 -0.44 1.16 0.00 0.00 0.00 0.00 175.76 177.24 2cwk s ALA 103 N -0.44 3.15 0.37 0.00 0.00 -1.26 -4.40 121.76 119.18 2cwk s ALA 103 Ca 0.52 0.95 -0.28 0.00 0.00 0.00 0.00 51.96 53.14 2cwk s ALA 103 Cb -0.35 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.28 2cwk s ALA 103 CO 0.41 -0.51 1.51 -2.30 0.00 0.00 0.00 175.76 174.87 2cwk n PRO 104 N 0.06 2.69 0.00 0.00 -0.02 -1.26 -1.91 135.00 134.57 2cwk n PRO 104 Ca 0.04 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 2cwk n PRO 104 Cb 0.47 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 2cwk n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2cwk n GLY 105 N 0.67 1.87 3.92 -1.23 0.00 -1.26 -4.97 105.19 104.18 2cwk n GLY 105 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 2cwk n GLY 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cwk s THR 106 N -2.08 3.74 0.07 2.61 -4.23 -0.80 -4.90 115.64 110.05 2cwk s THR 106 Ca 0.00 -0.01 -0.23 0.00 -1.18 0.00 0.00 61.69 60.27 2cwk s THR 106 Cb 0.00 -3.47 -0.14 0.00 1.34 0.00 0.00 72.50 70.22 2cwk s THR 106 CO 0.00 -0.48 1.64 0.40 -0.54 0.00 0.00 174.62 175.64 2cwk h ILE 107 N -0.13 1.10 -0.26 2.99 2.04 -1.02 -0.20 117.51 122.04 2cwk h ILE 107 Ca -0.45 -0.29 -0.12 0.00 1.00 0.00 0.00 64.86 65.00 2cwk h ILE 107 Cb 1.25 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 2cwk h ILE 107 CO 0.60 0.08 -0.33 0.03 0.00 0.00 0.00 178.15 178.53 2cwk h ARG 108 N -0.04 0.55 -0.43 2.37 3.08 -1.39 -1.03 114.38 117.50 2cwk h ARG 108 Ca 0.02 -0.25 -0.07 0.00 0.07 0.00 0.00 59.98 59.74 2cwk h ARG 108 Cb 0.11 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2cwk h ARG 108 CO -0.00 0.82 -0.04 0.78 -1.07 0.00 0.00 179.97 180.45 2cwk h GLY 109 N 1.04 0.77 1.25 0.04 0.00 -1.64 -0.22 103.07 104.31 2cwk h GLY 109 Ca 0.05 -0.53 -0.25 0.00 0.00 0.00 0.00 47.33 46.60 2cwk h GLY 109 CO 0.07 0.49 -1.47 -0.55 0.00 0.00 0.00 176.54 175.07 2cwk h ASP 110 N 0.67 0.00 0.00 0.19 3.32 -0.90 -3.42 116.42 116.27 2cwk h ASP 110 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2cwk h ASP 110 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2cwk h ASP 110 CO 0.02 0.94 -1.03 0.49 -1.72 0.00 0.00 179.24 177.94 2cwk n PHE 111 N -3.11 0.00 -4.13 4.55 3.01 -0.40 -5.06 117.46 112.32 2cwk n PHE 111 Ca -0.12 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.08 2cwk n PHE 111 Cb 0.99 -0.11 -0.06 0.00 -0.01 0.00 0.00 39.48 40.29 2cwk n PHE 111 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2cwk s GLY 112 N -2.43 1.74 0.20 1.37 0.00 -0.10 -4.95 107.32 103.15 2cwk s GLY 112 Ca -0.01 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.44 2cwk s GLY 112 CO 0.26 -1.28 0.00 -0.10 0.00 0.00 0.00 173.10 171.98 2cwk n LEU 113 N -0.21 -1.76 -4.77 0.66 7.94 -1.26 -4.51 117.00 113.09 2cwk n LEU 113 Ca -0.09 0.65 -0.37 0.00 -1.11 0.00 0.00 56.01 55.09 2cwk n LEU 113 Cb 0.55 1.91 0.00 0.00 0.53 0.00 0.00 43.42 46.41 2cwk n LEU 113 CO 0.41 0.12 0.85 -1.61 -1.11 0.00 0.00 177.39 176.05 2cwk s GLU 114 N -1.94 3.53 0.16 1.96 0.41 -1.26 -4.66 118.70 116.91 2cwk s GLU 114 Ca 0.00 1.82 0.04 0.00 -0.41 0.00 0.00 54.97 56.43 2cwk s GLU 114 Cb 0.00 -2.28 -0.05 0.00 -1.78 0.00 0.00 34.13 30.03 2cwk s GLU 114 CO 0.00 -0.75 -0.09 0.14 -0.49 0.00 0.00 175.26 174.07 2cwk s VAL 115 N -1.55 1.14 0.00 2.63 -7.23 -1.26 -4.39 120.40 109.74 2cwk s VAL 115 Ca 0.67 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 2cwk s VAL 115 Cb -0.30 -1.92 0.00 0.00 0.56 0.00 0.00 36.38 34.72 2cwk s VAL 115 CO 0.35 -0.68 0.00 -1.54 -0.31 0.00 0.00 175.10 172.92 2cwk n SER 116 N -0.23 0.00 0.22 4.85 3.41 -1.26 -4.93 113.62 115.69 2cwk n SER 116 Ca -0.09 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.66 2cwk n SER 116 Cb 0.61 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.95 2cwk n SER 116 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2cwk h ASP 117 N 0.00 0.00 -2.38 4.04 3.32 -2.01 -3.44 116.42 115.95 2cwk h ASP 117 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 2cwk h ASP 117 Cb 0.00 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.47 2cwk h ASP 117 CO 0.00 0.00 -0.60 0.00 -1.72 0.00 0.00 179.24 176.92 2cwk s ALA 118 N -3.37 3.35 -1.13 3.45 0.00 -1.26 -4.95 121.76 117.85 2cwk s ALA 118 Ca 0.05 -1.48 -0.18 0.00 0.00 0.00 0.00 51.96 50.35 2cwk s ALA 118 Cb 0.07 -1.05 0.10 0.00 0.00 0.00 0.00 23.12 22.24 2cwk s ALA 118 CO 0.60 0.32 1.47 0.42 0.00 0.00 0.00 175.76 178.58 2cwk s ILE 119 N -2.09 4.40 0.02 0.00 -1.09 -1.26 -4.73 121.20 116.46 2cwk s ILE 119 Ca 0.31 -1.72 -0.32 0.00 -2.23 0.00 0.00 60.65 56.69 2cwk s ILE 119 Cb -0.08 -5.01 -0.11 0.00 -1.58 0.00 0.00 42.46 35.68 2cwk s ILE 119 CO 0.22 -1.81 1.89 0.00 -1.23 0.00 0.00 174.94 174.01 2cwk n ASN 121 N 6.53 1.98 0.00 0.00 0.23 -1.26 -4.65 115.26 118.08 2cwk n ASN 121 Ca 0.20 -2.43 0.00 0.00 -0.53 0.00 0.00 54.58 51.82 2cwk n ASN 121 Cb 0.35 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.64 2cwk n ASN 121 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 2cwk n VAL 122 N -0.39 0.00 -4.15 3.53 0.31 -1.26 -4.78 118.33 111.59 2cwk n VAL 122 Ca 0.14 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.37 2cwk n VAL 122 Cb 0.90 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.73 2cwk n VAL 122 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2cwk s ILE 123 N 0.00 0.12 0.01 2.52 -4.36 -1.26 -1.44 121.20 116.79 2cwk s ILE 123 Ca 0.00 -1.92 0.05 0.00 -0.26 0.00 0.00 60.65 58.53 2cwk s ILE 123 Cb 0.00 -2.07 -0.03 0.00 1.25 0.00 0.00 42.46 41.61 2cwk s ILE 123 CO 0.00 -0.44 -0.15 -2.28 0.24 0.00 0.00 174.94 172.31 2cwk s HIS 124 N -4.04 2.66 -0.02 1.37 5.65 0.10 -4.91 115.29 116.10 2cwk s HIS 124 Ca 0.25 -0.19 0.00 0.00 0.25 0.00 0.00 55.06 55.37 2cwk s HIS 124 Cb 0.07 -1.54 0.02 0.00 -1.18 0.00 0.00 32.58 29.96 2cwk s HIS 124 CO 0.02 0.26 0.01 0.00 -0.65 0.00 0.00 174.74 174.38 2cwk s ALA 125 N -0.89 0.18 0.27 1.58 0.00 -1.26 -1.67 121.76 119.98 2cwk s ALA 125 Ca 0.14 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 2cwk s ALA 125 Cb -0.11 -0.24 -0.14 0.00 0.00 0.00 0.00 23.12 22.64 2cwk s ALA 125 CO 0.05 -0.07 1.28 0.43 0.00 0.00 0.00 175.76 177.45 2cwk n SER 126 N 3.95 2.32 -0.28 0.00 7.64 -0.79 -4.89 113.62 121.57 2cwk n SER 126 Ca -0.25 1.17 0.14 0.00 1.01 0.00 0.00 58.87 60.94 2cwk n SER 126 Cb 0.52 -1.39 0.56 0.00 -1.01 0.00 0.00 64.21 62.89 2cwk n SER 126 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2cwk n ASP 127 N 1.63 0.97 -3.66 6.43 5.68 -1.26 -4.81 116.55 121.52 2cwk n ASP 127 Ca 0.10 -1.09 -0.02 0.00 -0.50 0.00 0.00 54.79 53.28 2cwk n ASP 127 Cb 0.32 0.02 -0.01 0.00 -1.14 0.00 0.00 41.12 40.30 2cwk n ASP 127 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2cwk s SER 128 N -2.22 -0.16 0.25 -1.12 1.04 -1.26 -4.99 113.70 105.23 2cwk s SER 128 Ca 0.34 -0.23 -0.04 0.00 0.48 0.00 0.00 55.95 56.50 2cwk s SER 128 Cb 0.20 0.34 0.28 0.00 0.10 0.00 0.00 66.02 66.94 2cwk s SER 128 CO 0.41 -0.61 1.79 0.11 0.98 0.00 0.00 173.24 175.93 2cwk h LYS 129 N 2.00 0.99 -0.35 4.02 1.57 -1.93 0.47 116.57 123.33 2cwk h LYS 129 Ca -0.25 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.31 2cwk h LYS 129 Cb 1.22 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 2cwk h LYS 129 CO 0.27 0.86 0.16 1.49 -0.57 0.00 0.00 179.45 181.66 2cwk h GLU 130 N 0.95 0.51 -0.50 3.15 4.57 -1.98 -1.18 114.58 120.10 2cwk h GLU 130 Ca 0.21 -0.08 -0.11 0.00 -1.18 0.00 0.00 59.36 58.20 2cwk h GLU 130 Cb 0.30 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 2cwk h GLU 130 CO -0.00 0.47 -0.12 0.77 -1.18 0.00 0.00 179.01 178.94 2cwk h SER 131 N 0.42 0.94 -0.38 1.04 0.02 -1.88 -2.38 113.55 111.33 2cwk h SER 131 Ca 0.12 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2cwk h SER 131 Cb 0.14 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 2cwk h SER 131 CO -0.01 1.06 0.25 0.00 -1.14 0.00 0.00 176.83 176.99 2cwk h ALA 132 N 1.02 0.48 -0.53 3.77 0.00 -0.64 0.13 119.26 123.49 2cwk h ALA 132 Ca 0.13 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2cwk h ALA 132 Cb 0.66 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2cwk h ALA 132 CO 0.05 -0.06 0.35 1.49 0.00 0.00 0.00 179.25 181.07 2cwk h GLU 133 N 0.51 0.69 -0.09 0.00 4.81 -1.10 0.18 114.58 119.58 2cwk h GLU 133 Ca 0.14 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2cwk h GLU 133 Cb -0.06 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.16 2cwk h GLU 133 CO -0.03 0.45 0.04 -0.09 -0.73 0.00 0.00 179.01 178.65 2cwk h ARG 134 N 0.71 0.14 -0.61 1.92 2.43 -1.06 -2.33 114.38 115.57 2cwk h ARG 134 Ca 0.20 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 2cwk h ARG 134 Cb -0.07 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 2cwk h ARG 134 CO -0.05 0.26 0.14 0.93 -1.51 0.00 0.00 179.97 179.73 2cwk h GLU 135 N -0.01 0.99 -0.77 0.20 5.08 -0.48 -1.64 114.58 117.96 2cwk h GLU 135 Ca 0.03 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 2cwk h GLU 135 Cb 0.17 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2cwk h GLU 135 CO -0.00 0.91 0.27 0.82 -1.00 0.00 0.00 179.01 180.01 2cwk h ILE 136 N 0.90 1.26 -0.04 3.13 2.04 -0.62 -2.06 117.51 122.13 2cwk h ILE 136 Ca 0.19 -0.87 -0.09 0.00 1.00 0.00 0.00 64.86 65.10 2cwk h ILE 136 Cb 0.37 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2cwk h ILE 136 CO 0.00 0.35 -0.38 0.28 0.00 0.00 0.00 178.15 178.40 2cwk h SER 137 N 1.13 0.08 -0.35 1.72 0.02 -1.21 0.44 113.55 115.38 2cwk h SER 137 Ca 0.25 -0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 61.06 2cwk h SER 137 Cb 0.26 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 2cwk h SER 137 CO -0.01 0.46 -0.23 -0.07 -1.14 0.00 0.00 176.83 175.83 2cwk h LEU 138 N 0.07 0.81 0.00 5.07 3.38 -0.64 -3.36 115.31 120.64 2cwk h LEU 138 Ca 0.01 -0.43 -0.15 0.00 0.09 0.00 0.00 57.88 57.39 2cwk h LEU 138 Cb 0.71 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2cwk h LEU 138 CO 0.05 1.06 -1.87 0.49 0.09 0.00 0.00 178.44 178.26 2cwk n PHE 139 N -4.26 0.34 -4.39 1.13 3.01 -0.87 -4.99 117.46 107.43 2cwk n PHE 139 Ca -0.03 0.11 -0.27 0.00 1.01 0.00 0.00 57.45 58.27 2cwk n PHE 139 Cb 0.44 -0.84 -0.13 0.00 -0.01 0.00 0.00 39.48 38.94 2cwk n PHE 139 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2cwk s PHE 140 N -3.05 2.10 0.15 1.38 0.40 0.14 -5.11 117.98 113.99 2cwk s PHE 140 Ca -0.07 -0.40 -0.02 0.00 -0.60 0.00 0.00 56.93 55.85 2cwk s PHE 140 Cb 0.10 -1.15 -0.05 0.00 0.51 0.00 0.00 43.02 42.43 2cwk s PHE 140 CO 0.85 0.27 0.34 0.15 0.70 0.00 0.00 175.22 177.53 2cwk s LYS 141 N -1.93 3.53 0.39 0.44 1.02 -1.26 -4.51 119.74 117.42 2cwk s LYS 141 Ca 0.11 -0.29 0.15 0.00 0.02 0.00 0.00 55.97 55.95 2cwk s LYS 141 Cb -0.10 -2.90 1.00 0.00 -0.52 0.00 0.00 37.83 35.31 2cwk s LYS 141 CO 0.05 0.48 1.83 -1.35 -0.92 0.00 0.00 175.35 175.44 2cwk h PRO 142 N 2.54 0.49 0.00 -1.68 0.11 -1.95 0.09 132.00 131.59 2cwk h PRO 142 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2cwk h PRO 142 Cb 1.17 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2cwk h PRO 142 CO 0.71 0.32 0.00 -0.85 -0.21 0.00 0.00 178.00 177.98 2cwk n GLU 143 N -4.58 0.13 -0.11 1.05 0.28 -1.26 -2.15 120.64 114.00 2cwk n GLU 143 Ca 0.21 0.19 0.12 0.00 -0.16 0.00 0.00 57.16 57.52 2cwk n GLU 143 Cb 0.68 -1.50 0.16 0.00 1.43 0.00 0.00 31.44 32.21 2cwk n GLU 143 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2cwk n GLU 144 N -1.35 2.39 -4.72 3.44 1.02 0.02 -4.89 120.64 116.55 2cwk n GLU 144 Ca 0.05 -2.12 -0.33 0.00 -0.02 0.00 0.00 57.16 54.75 2cwk n GLU 144 Cb 0.12 -1.48 -0.15 0.00 -0.02 0.00 0.00 31.44 29.92 2cwk n GLU 144 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2cwk s LEU 145 N -1.66 2.68 0.18 -4.62 1.43 -0.91 -4.43 118.68 111.33 2cwk s LEU 145 Ca 0.34 -0.35 0.10 0.00 -1.03 0.00 0.00 54.13 53.19 2cwk s LEU 145 Cb 0.21 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 2cwk s LEU 145 CO 0.30 0.15 -0.20 -0.36 0.23 0.00 0.00 176.35 176.47 2cwk s PHE 146 N 0.46 2.41 -0.25 0.29 0.40 0.61 -5.02 117.98 116.88 2cwk s PHE 146 Ca -0.10 -0.32 -0.00 0.00 -0.60 0.00 0.00 56.93 55.91 2cwk s PHE 146 Cb -0.16 -1.21 0.04 0.00 0.51 0.00 0.00 43.02 42.20 2cwk s PHE 146 CO 0.05 0.48 -0.07 -2.00 0.70 0.00 0.00 175.22 174.37 2cwk s GLU 147 N -2.60 2.63 0.19 0.44 2.12 -1.26 -4.71 118.70 115.51 2cwk s GLU 147 Ca 0.21 -1.11 -0.16 0.00 0.36 0.00 0.00 54.97 54.27 2cwk s GLU 147 Cb -0.09 -2.96 0.02 0.00 0.26 0.00 0.00 34.13 31.36 2cwk s GLU 147 CO 0.11 -0.47 0.48 1.52 -0.54 0.00 0.00 175.26 176.37 2cwk s TYR 148 N 1.25 -0.01 0.02 5.30 -0.85 -1.26 -5.16 117.35 116.64 2cwk s TYR 148 Ca -0.03 -0.34 -0.19 0.00 -0.52 0.00 0.00 57.07 56.00 2cwk s TYR 148 Cb -0.18 0.31 -0.06 0.00 0.38 0.00 0.00 41.96 42.42 2cwk s TYR 148 CO -0.05 -0.89 0.56 -1.25 -1.52 0.00 0.00 175.55 172.40 2cwk s PRO 149 N -3.90 4.23 0.36 -3.49 0.04 -1.26 -5.07 135.00 125.91 2cwk s PRO 149 Ca 0.11 0.68 -0.03 0.00 0.04 0.00 0.00 61.00 61.80 2cwk s PRO 149 Cb -0.00 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 2cwk s PRO 149 CO -0.02 0.51 0.62 1.03 0.04 0.00 0.00 177.00 179.18 2cwk s ARG 150 N -0.63 3.56 0.21 4.56 1.81 -1.26 -5.00 118.95 122.20 2cwk s ARG 150 Ca 0.29 -0.06 -0.18 0.00 -1.72 0.00 0.00 55.73 54.06 2cwk s ARG 150 Cb -0.18 -2.58 0.20 0.00 -0.45 0.00 0.00 34.95 31.94 2cwk s ARG 150 CO 0.17 0.08 1.58 0.00 -0.68 0.00 0.00 175.30 176.44 2cwk h ALA 151 N 0.96 0.13 -0.23 2.13 0.00 -2.02 -2.36 119.26 117.87 2cwk h ALA 151 Ca -0.48 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2cwk h ALA 151 Cb 1.20 0.84 0.00 0.00 0.00 0.00 0.00 17.79 19.83 2cwk h ALA 151 CO 0.63 -0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.27 2cwk n ALA 152 N -3.30 2.49 -0.32 0.00 0.00 -1.26 -4.40 120.51 113.72 2cwk n ALA 152 Ca 0.08 -0.51 0.10 0.00 0.00 0.00 0.00 53.44 53.10 2cwk n ALA 152 Cb 0.38 -1.04 0.27 0.00 0.00 0.00 0.00 19.45 19.05 2cwk n ALA 152 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2cwk h ASP 153 N 1.87 0.62 -0.30 0.00 3.32 -1.82 -0.89 116.42 119.22 2cwk h ASP 153 Ca 0.00 0.10 0.06 0.00 0.02 0.00 0.00 57.03 57.20 2cwk h ASP 153 Cb 0.42 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 2cwk h ASP 153 CO 0.00 0.23 0.21 4.11 -1.72 0.00 0.00 179.24 182.07 2cwk h TRP 154 N 0.67 0.16 -0.78 4.55 5.08 -1.82 -2.52 115.95 121.29 2cwk h TRP 154 Ca 0.51 0.00 0.05 0.00 1.08 0.00 0.00 58.89 60.54 2cwk h TRP 154 Cb 0.76 -0.05 -0.05 0.00 -3.00 0.00 0.00 29.16 26.82 2cwk h TRP 154 CO -0.06 0.09 0.51 0.35 -1.28 0.00 0.00 178.44 178.05 2cwk h PHE 155 N 0.16 0.89 -0.17 0.12 3.57 -1.48 -2.67 116.94 117.36 2cwk h PHE 155 Ca 0.13 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2cwk h PHE 155 Cb 0.33 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.78 2cwk h PHE 155 CO -0.00 0.49 0.00 0.66 -2.23 0.00 0.00 178.31 177.23 2cwk n TYR 156 N -4.47 0.21 -1.46 0.41 4.02 -0.95 -4.90 117.16 110.02 2cwk n TYR 156 Ca 0.11 -0.10 -0.45 0.00 -0.01 0.00 0.00 57.90 57.44 2cwk n TYR 156 Cb 0.17 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.39 2cwk n TYR 156 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2cwk n LYS 157 N 0.35 0.53 0.00 -0.72 5.02 -1.01 -5.16 118.16 117.16 2cwk n LYS 157 Ca 0.16 0.08 0.13 0.00 -2.02 0.00 0.00 58.31 56.67 2cwk n LYS 157 Cb 0.34 -2.19 0.79 0.00 -0.02 0.00 0.00 35.03 33.95 2cwk n LYS 157 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05