#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibk n ARG 3 N 0.00 -4.70 0.00 1.61 5.12 -1.26 -4.62 116.66 112.81 1ibk n ARG 3 Ca 0.00 0.67 0.00 0.00 -1.93 0.00 0.00 57.85 56.59 1ibk n ARG 3 Cb 0.00 -5.11 0.00 0.00 -1.16 0.00 0.00 32.46 26.19 1ibk n ARG 3 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 1ibk n TYR 4 N -4.30 0.00 -0.88 -1.55 9.36 -1.26 -4.81 117.16 113.72 1ibk n TYR 4 Ca -0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.17 1ibk n TYR 4 Cb 0.57 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.28 1ibk n TYR 4 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1ibk n ILE 5 N 0.00 -2.17 0.00 2.97 5.41 -1.26 -5.07 119.36 119.24 1ibk n ILE 5 Ca 0.00 0.98 0.00 0.00 1.00 0.00 0.00 62.75 64.73 1ibk n ILE 5 Cb 0.00 -1.51 0.00 0.00 -0.71 0.00 0.00 39.64 37.42 1ibk n ILE 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ibk n GLY 6 N -1.76 1.87 3.54 7.39 0.00 -1.26 -5.01 105.19 109.96 1ibk n GLY 6 Ca 0.00 -2.13 -0.54 0.00 0.00 0.00 0.00 46.02 43.35 1ibk n GLY 6 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ibk n PRO 7 N -0.10 0.65 -0.07 1.61 -0.04 -1.26 -4.90 135.00 130.90 1ibk n PRO 7 Ca 0.00 0.23 -0.12 0.00 -0.04 0.00 0.00 63.50 63.57 1ibk n PRO 7 Cb 0.00 -1.76 -0.05 0.00 -0.04 0.00 0.00 33.50 31.65 1ibk n PRO 7 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1ibk n VAL 8 N 1.83 0.73 0.00 0.52 0.24 -1.26 -4.39 118.33 116.00 1ibk n VAL 8 Ca 0.18 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1ibk n VAL 8 Cb 0.16 -1.40 0.00 0.00 -1.47 0.00 0.00 33.84 31.13 1ibk n VAL 8 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ibk n ARG 10 N -1.22 0.33 -0.11 0.00 1.85 -1.26 -1.73 116.66 114.53 1ibk n ARG 10 Ca 0.00 -0.08 -0.20 0.00 -1.00 0.00 0.00 57.85 56.58 1ibk n ARG 10 Cb 0.15 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 29.98 1ibk n ARG 10 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1ibk n LEU 11 N -1.27 2.18 -0.35 2.89 4.77 0.60 -3.19 117.00 122.63 1ibk n LEU 11 Ca 0.11 0.10 -0.03 0.00 -0.03 0.00 0.00 56.01 56.17 1ibk n LEU 11 Cb 0.29 -0.68 0.01 0.00 -2.33 0.00 0.00 43.42 40.72 1ibk n LEU 11 CO 0.26 0.63 0.50 0.00 -1.33 0.00 0.00 177.39 177.45 1ibk h ARG 13 N 0.00 -0.68 0.13 0.00 3.08 -1.51 -1.90 114.38 113.50 1ibk h ARG 13 Ca 0.27 0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.39 1ibk h ARG 13 Cb 0.49 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 1ibk h ARG 13 CO -0.87 -0.45 -0.33 -0.09 -1.07 0.00 0.00 179.97 177.16 1ibk h ARG 14 N -0.70 -0.54 0.00 0.04 9.65 -0.41 0.45 114.38 122.87 1ibk h ARG 14 Ca -0.05 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1ibk h ARG 14 Cb 0.57 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.28 1ibk h ARG 14 CO 0.06 -0.36 0.00 0.39 2.80 0.00 0.00 179.97 182.86 1ibk n GLU 15 N -5.42 0.07 0.00 0.20 4.71 0.15 -4.84 120.64 115.50 1ibk n GLU 15 Ca -0.07 0.45 0.00 0.00 -0.01 0.00 0.00 57.16 57.53 1ibk n GLU 15 Cb 0.34 -1.67 0.00 0.00 -1.01 0.00 0.00 31.44 29.09 1ibk n GLU 15 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ibk n GLY 16 N -0.79 1.57 3.45 0.62 0.00 0.15 -4.94 105.19 105.25 1ibk n GLY 16 Ca 0.01 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 1ibk n GLY 16 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ibk n VAL 17 N 0.00 0.00 -3.44 1.61 0.31 -1.25 -4.76 118.33 110.79 1ibk n VAL 17 Ca 0.00 -0.46 -0.43 0.00 -0.01 0.00 0.00 64.34 63.44 1ibk n VAL 17 Cb 0.00 -0.98 -0.07 0.00 -0.91 0.00 0.00 33.84 31.89 1ibk n VAL 17 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1ibk s LYS 18 N -4.35 2.79 -0.82 5.55 2.20 -1.26 -4.54 119.74 119.31 1ibk s LYS 18 Ca 0.68 -1.85 -0.08 0.00 -0.36 0.00 0.00 55.97 54.37 1ibk s LYS 18 Cb -0.25 -4.11 0.21 0.00 -1.51 0.00 0.00 37.83 32.17 1ibk s LYS 18 CO 0.66 -1.26 0.72 -0.48 -0.36 0.00 0.00 175.35 174.63 1ibk s LEU 19 N 1.28 6.00 -0.45 5.43 0.05 -1.26 -5.03 118.68 124.70 1ibk s LEU 19 Ca 0.06 -3.07 -0.40 0.00 0.05 0.00 0.00 54.13 50.78 1ibk s LEU 19 Cb -0.26 -2.04 -0.17 0.00 -2.05 0.00 0.00 46.19 41.67 1ibk s LEU 19 CO -0.00 -0.39 1.93 -1.22 -0.55 0.00 0.00 176.35 176.12 1ibk n TYR 20 N 3.33 1.05 -1.31 3.48 4.02 -1.26 -4.83 117.16 121.63 1ibk n TYR 20 Ca 0.15 0.70 0.08 0.00 -0.01 0.00 0.00 57.90 58.81 1ibk n TYR 20 Cb 0.41 -2.07 0.13 0.00 -0.02 0.00 0.00 39.34 37.79 1ibk n TYR 20 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1ibk n LEU 21 N 6.78 2.07 0.00 7.72 4.77 -1.26 -4.72 117.00 132.37 1ibk n LEU 21 Ca 0.50 -2.93 0.00 0.00 -0.03 0.00 0.00 56.01 53.55 1ibk n LEU 21 Cb -0.04 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1ibk n LEU 21 CO 0.80 0.75 0.00 0.29 -1.33 0.00 0.00 177.39 177.90 1ibk n LYS 22 N -1.16 0.43 0.00 3.23 5.02 -1.26 -4.70 118.16 119.72 1ibk n LYS 22 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1ibk n LYS 22 Cb 0.67 -0.04 0.00 0.00 -0.02 0.00 0.00 35.03 35.64 1ibk n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ibk n GLY 23 N 0.00 1.42 3.48 0.72 0.00 -1.25 -4.53 105.19 105.03 1ibk n GLY 23 Ca 0.00 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1ibk n GLY 23 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ibk n GLU 24 N 0.00 -0.18 0.00 1.61 2.13 -1.26 -2.95 120.64 119.99 1ibk n GLU 24 Ca 0.00 -0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ibk n GLU 24 Cb 0.00 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 29.75 1ibk n GLU 24 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1ibk n ARG 25 N -1.97 0.00 0.00 5.31 0.63 -1.26 -4.23 116.66 115.13 1ibk n ARG 25 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 1ibk n ARG 25 Cb 0.53 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.44 1ibk n ARG 25 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ibk n TYR 27 N -0.34 0.00 -1.11 0.00 4.02 -1.18 -4.79 117.16 113.76 1ibk n TYR 27 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1ibk n TYR 27 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.33 1ibk n TYR 27 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1ibk n SER 28 N -1.83 0.00 -3.53 7.72 3.41 0.40 -4.93 113.62 114.85 1ibk n SER 28 Ca 0.00 -0.53 -0.40 0.00 -0.26 0.00 0.00 58.87 57.68 1ibk n SER 28 Cb 0.34 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1ibk n SER 28 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1ibk n PRO 29 N -0.53 4.68 0.00 4.33 -0.02 -1.26 -4.19 135.00 138.01 1ibk n PRO 29 Ca 0.00 -3.66 0.00 0.00 -2.02 0.00 0.00 63.50 57.82 1ibk n PRO 29 Cb 0.00 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 30.86 1ibk n PRO 29 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ibk n LYS 30 N 1.56 2.28 0.00 -0.52 5.02 -1.26 -4.86 118.16 120.38 1ibk n LYS 30 Ca 0.59 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1ibk n LYS 30 Cb 0.25 -0.19 0.00 0.00 -0.02 0.00 0.00 35.03 35.07 1ibk n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ibk n ALA 32 N -0.75 0.00 0.70 0.00 0.00 -1.26 -4.57 120.51 114.63 1ibk n ALA 32 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1ibk n ALA 32 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.67 1ibk n ALA 32 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ibk n MET 33 N -0.89 0.35 -3.83 0.00 2.81 -1.26 -2.60 117.12 111.70 1ibk n MET 33 Ca 0.00 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.54 1ibk n MET 33 Cb 0.00 -1.33 -0.12 0.00 -0.71 0.00 0.00 33.22 31.05 1ibk n MET 33 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1ibk s GLU 34 N -2.00 1.88 -0.24 0.03 8.01 -1.26 -4.48 118.70 120.65 1ibk s GLU 34 Ca 0.11 -1.84 -0.07 0.00 0.01 0.00 0.00 54.97 53.18 1ibk s GLU 34 Cb 0.05 -3.50 0.01 0.00 -4.31 0.00 0.00 34.13 26.38 1ibk s GLU 34 CO 0.09 -1.04 0.27 0.54 0.01 0.00 0.00 175.26 175.13 1ibk n ARG 35 N 4.50 -1.55 0.00 1.61 1.74 -1.19 -4.79 116.66 116.99 1ibk n ARG 35 Ca -0.01 1.54 0.00 0.00 -0.77 0.00 0.00 57.85 58.62 1ibk n ARG 35 Cb 0.41 -3.87 0.00 0.00 -1.02 0.00 0.00 32.46 27.98 1ibk n ARG 35 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ibk n ARG 36 N -0.21 0.00 0.00 5.56 1.74 -1.07 -4.79 116.66 117.90 1ibk n ARG 36 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1ibk n ARG 36 Cb 0.21 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.65 1ibk n ARG 36 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1ibk n PRO 37 N 0.00 0.00 -2.35 5.56 -0.02 -1.19 -4.67 135.00 132.34 1ibk n PRO 37 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.22 1ibk n PRO 37 Cb 0.00 -1.27 0.04 0.00 -0.02 0.00 0.00 33.50 32.25 1ibk n PRO 37 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1ibk s TYR 38 N -1.94 3.18 0.82 6.00 -0.85 -1.26 -4.82 117.35 118.48 1ibk s TYR 38 Ca 0.00 0.60 -0.10 0.00 -0.52 0.00 0.00 57.07 57.05 1ibk s TYR 38 Cb 0.00 -2.84 0.09 0.00 0.38 0.00 0.00 41.96 39.59 1ibk s TYR 38 CO 0.00 -0.96 1.10 -1.25 -1.52 0.00 0.00 175.55 172.93 1ibk s PRO 39 N -5.05 1.81 0.52 -3.49 0.04 -1.26 -4.57 135.00 123.01 1ibk s PRO 39 Ca 0.55 1.23 -0.09 0.00 0.04 0.00 0.00 61.00 62.74 1ibk s PRO 39 Cb -0.11 -1.84 0.13 0.00 0.04 0.00 0.00 34.50 32.72 1ibk s PRO 39 CO 0.45 -1.97 0.53 -0.35 0.04 0.00 0.00 177.00 175.70 1ibk n PRO 40 N -3.75 -1.55 -0.23 0.56 -0.04 -1.26 -4.08 135.00 124.65 1ibk n PRO 40 Ca 0.09 -0.84 0.02 0.00 -0.04 0.00 0.00 63.50 62.74 1ibk n PRO 40 Cb 0.53 -0.71 -0.01 0.00 -0.04 0.00 0.00 33.50 33.27 1ibk n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ibk n GLY 41 N -0.25 -2.80 0.00 0.55 0.00 -1.26 -3.81 105.19 97.63 1ibk n GLY 41 Ca 0.07 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1ibk n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ibk n GLN 42 N -2.23 0.00 -0.01 1.61 7.27 -1.26 -1.54 117.38 121.23 1ibk n GLN 42 Ca -0.01 0.20 0.00 0.00 0.07 0.00 0.00 57.00 57.26 1ibk n GLN 42 Cb 0.10 -1.78 0.01 0.00 2.41 0.00 0.00 30.24 30.98 1ibk n GLN 42 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1ibk n HIS 43 N -1.19 0.02 -0.28 3.69 8.25 -1.26 -4.85 115.22 119.59 1ibk n HIS 43 Ca 0.00 -0.34 -0.03 0.00 -0.26 0.00 0.00 57.72 57.09 1ibk n HIS 43 Cb 0.28 -0.03 0.02 0.00 1.12 0.00 0.00 29.99 31.38 1ibk n HIS 43 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1ibk h GLY 44 N 0.10 -0.01 2.00 -1.41 0.00 -1.38 -2.60 103.07 99.77 1ibk h GLY 44 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1ibk h GLY 44 CO 0.00 -0.21 0.00 1.46 0.00 0.00 0.00 176.54 177.79 1ibk h GLN 45 N -0.09 0.00 -7.14 4.80 4.20 -1.86 -3.40 115.11 111.62 1ibk h GLN 45 Ca 0.29 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.49 1ibk h GLN 45 Cb 0.57 0.00 0.09 0.00 0.30 0.00 0.00 27.48 28.45 1ibk h GLN 45 CO -0.82 0.00 0.41 0.15 -0.67 0.00 0.00 178.83 177.90 1ibk s LYS 46 N -3.38 3.00 0.61 1.46 1.02 -0.98 -4.96 119.74 116.52 1ibk s LYS 46 Ca 0.04 1.55 -0.18 0.00 0.02 0.00 0.00 55.97 57.40 1ibk s LYS 46 Cb 0.09 -1.96 -0.04 0.00 -0.52 0.00 0.00 37.83 35.40 1ibk s LYS 46 CO 0.46 -1.12 1.09 -2.13 -0.92 0.00 0.00 175.35 172.73 1ibk n ARG 47 N -1.89 1.00 -3.71 1.68 0.63 -1.26 -4.99 116.66 108.13 1ibk n ARG 47 Ca 0.11 0.39 -0.37 0.00 -0.92 0.00 0.00 57.85 57.06 1ibk n ARG 47 Cb 0.51 -2.30 -0.06 0.00 0.45 0.00 0.00 32.46 31.06 1ibk n ARG 47 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ibk s ALA 48 N -1.46 3.80 0.17 5.13 0.00 -1.26 -5.09 121.76 123.05 1ibk s ALA 48 Ca 0.78 -0.46 -0.14 0.00 0.00 0.00 0.00 51.96 52.14 1ibk s ALA 48 Cb -0.40 -2.15 -0.07 0.00 0.00 0.00 0.00 23.12 20.49 1ibk s ALA 48 CO 0.45 0.56 0.57 1.03 0.00 0.00 0.00 175.76 178.37 1ibk s ARG 49 N -1.09 3.98 0.04 0.00 0.52 -1.26 -4.99 118.95 116.15 1ibk s ARG 49 Ca 0.19 0.50 -0.38 0.00 -0.52 0.00 0.00 55.73 55.53 1ibk s ARG 49 Cb -0.14 -2.88 -0.18 0.00 0.52 0.00 0.00 34.95 32.27 1ibk s ARG 49 CO 0.09 0.44 1.27 -2.13 0.02 0.00 0.00 175.30 174.99 1ibk n ARG 50 N 0.65 0.75 -2.34 3.54 0.00 -1.26 -4.88 116.66 113.12 1ibk n ARG 50 Ca -0.04 0.27 -0.39 0.00 -0.00 0.00 0.00 57.85 57.69 1ibk n ARG 50 Cb 0.52 -1.86 -0.03 0.00 0.00 0.00 0.00 32.46 31.08 1ibk n ARG 50 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 1ibk s PRO 51 N 0.46 4.31 0.33 -0.14 0.02 -1.26 -5.02 135.00 133.70 1ibk s PRO 51 Ca 0.87 1.87 -0.28 0.00 0.02 0.00 0.00 61.00 63.49 1ibk s PRO 51 Cb -1.07 -2.90 -0.09 0.00 0.02 0.00 0.00 34.50 30.45 1ibk s PRO 51 CO 0.51 -0.11 1.10 -1.54 -0.33 0.00 0.00 177.00 176.64 1ibk s SER 52 N -0.97 7.03 0.52 2.53 1.04 -1.26 -4.81 113.70 117.78 1ibk s SER 52 Ca 0.52 2.24 0.44 0.00 0.48 0.00 0.00 55.95 59.62 1ibk s SER 52 Cb -0.32 -2.62 1.65 0.00 0.10 0.00 0.00 66.02 64.84 1ibk s SER 52 CO 0.41 -0.31 1.59 0.44 0.98 0.00 0.00 173.24 176.36 1ibk h ASP 53 N 3.33 0.06 0.00 7.02 5.19 -2.00 0.53 116.42 130.55 1ibk h ASP 53 Ca -0.47 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 1ibk h ASP 53 Cb 1.22 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.77 1ibk h ASP 53 CO 0.65 -0.07 0.00 0.00 -3.12 0.00 0.00 179.24 176.70 1ibk n TYR 54 N -4.18 0.00 -0.18 4.55 9.36 -1.26 -2.85 117.16 122.60 1ibk n TYR 54 Ca 0.42 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.61 1ibk n TYR 54 Cb 1.83 -0.43 -0.02 0.00 -0.63 0.00 0.00 39.34 40.09 1ibk n TYR 54 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1ibk n ALA 55 N -1.79 -0.20 -0.76 2.98 0.00 0.18 0.84 120.51 121.77 1ibk n ALA 55 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1ibk n ALA 55 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1ibk n ALA 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ibk n VAL 56 N -4.60 0.00 -0.31 0.00 0.31 -0.85 0.17 118.33 113.05 1ibk n VAL 56 Ca 0.02 1.12 0.28 0.00 -0.01 0.00 0.00 64.34 65.75 1ibk n VAL 56 Cb 0.14 -1.75 0.61 0.00 -0.91 0.00 0.00 33.84 31.93 1ibk n VAL 56 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1ibk h ARG 57 N 0.00 0.21 0.55 5.55 3.08 -0.42 0.26 114.38 123.61 1ibk h ARG 57 Ca 0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1ibk h ARG 57 Cb 0.00 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.01 1ibk h ARG 57 CO 0.00 0.14 -0.26 1.25 -1.07 0.00 0.00 179.97 180.03 1ibk h LEU 58 N 0.22 -0.62 0.55 3.04 7.12 0.21 -2.15 115.31 123.67 1ibk h LEU 58 Ca 0.57 -0.04 -0.02 0.00 0.13 0.00 0.00 57.88 58.52 1ibk h LEU 58 Cb 1.81 0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 42.09 1ibk h LEU 58 CO -0.17 -0.31 -0.42 0.03 -0.13 0.00 0.00 178.44 177.44 1ibk h ARG 59 N -0.93 -0.89 -1.00 1.25 2.47 0.49 0.29 114.38 116.07 1ibk h ARG 59 Ca -0.07 0.06 0.30 0.00 -1.26 0.00 0.00 59.98 59.01 1ibk h ARG 59 Cb 0.63 0.20 -0.19 0.00 -1.65 0.00 0.00 29.97 28.96 1ibk h ARG 59 CO 0.12 -0.59 0.11 1.49 0.56 0.00 0.00 179.97 181.66 1ibk h GLU 60 N -0.93 0.00 0.07 0.04 4.57 -0.89 0.89 114.58 118.34 1ibk h GLU 60 Ca -0.07 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1ibk h GLU 60 Cb 0.77 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1ibk h GLU 60 CO 0.02 0.00 -0.03 -0.22 -1.18 0.00 0.00 179.01 177.60 1ibk h LYS 61 N 0.00 -0.09 -0.63 1.92 3.64 -0.85 -2.90 116.57 117.66 1ibk h LYS 61 Ca 0.65 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 60.17 1ibk h LYS 61 Cb 1.42 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 33.16 1ibk h LYS 61 CO -0.91 0.19 0.04 1.96 -2.27 0.00 0.00 179.45 178.46 1ibk h GLN 62 N -0.37 0.15 0.00 1.90 1.08 0.27 -2.08 115.11 116.05 1ibk h GLN 62 Ca -0.01 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1ibk h GLN 62 Cb 0.32 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1ibk h GLN 62 CO 0.02 0.10 0.00 1.17 -0.95 0.00 0.00 178.83 179.17 1ibk n LYS 63 N -5.25 0.00 -0.07 1.46 4.81 0.15 0.57 118.16 119.83 1ibk n LYS 63 Ca 0.10 0.29 -0.02 0.00 -0.87 0.00 0.00 58.31 57.80 1ibk n LYS 63 Cb 0.37 -0.96 -0.02 0.00 0.02 0.00 0.00 35.03 34.45 1ibk n LYS 63 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1ibk n LEU 64 N -0.74 -0.18 -0.21 3.14 0.00 -1.11 0.81 117.00 118.71 1ibk n LEU 64 Ca 0.00 0.71 0.02 0.00 0.00 0.00 0.00 56.01 56.74 1ibk n LEU 64 Cb 0.00 -0.24 0.12 0.00 0.00 0.00 0.00 43.42 43.30 1ibk n LEU 64 CO 0.00 -0.45 0.91 -0.09 0.00 0.00 0.00 177.39 177.76 1ibk h ARG 65 N 0.00 0.24 0.00 1.96 2.43 -1.29 0.48 114.38 118.20 1ibk h ARG 65 Ca 0.03 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1ibk h ARG 65 Cb 0.07 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1ibk h ARG 65 CO -0.16 0.16 -0.04 0.00 -1.51 0.00 0.00 179.97 178.42 1ibk h ARG 66 N 0.25 0.00 -0.39 0.20 3.08 0.59 -2.37 114.38 115.74 1ibk h ARG 66 Ca 0.33 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.28 1ibk h ARG 66 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1ibk h ARG 66 CO -0.43 0.04 -0.16 0.82 -1.07 0.00 0.00 179.97 179.17 1ibk h ILE 67 N 0.00 1.28 -0.48 2.04 2.04 0.32 -2.99 117.51 119.73 1ibk h ILE 67 Ca -0.00 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.58 1ibk h ILE 67 Cb 0.16 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1ibk h ILE 67 CO 0.01 0.43 0.00 -1.22 0.00 0.00 0.00 178.15 177.36 1ibk n TYR 68 N -4.28 0.89 -0.61 1.37 4.02 -0.92 -4.92 117.16 112.72 1ibk n TYR 68 Ca -0.02 -0.38 0.00 0.00 -0.01 0.00 0.00 57.90 57.49 1ibk n TYR 68 Cb 0.40 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.62 1ibk n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ibk n GLY 69 N 1.06 0.00 3.83 2.72 0.00 -1.03 -4.92 105.19 106.86 1ibk n GLY 69 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1ibk n GLY 69 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ibk s ILE 70 N -0.61 4.49 0.67 -0.61 2.07 -1.23 -4.72 121.20 121.25 1ibk s ILE 70 Ca 0.00 1.30 -0.11 0.00 -1.41 0.00 0.00 60.65 60.43 1ibk s ILE 70 Cb 0.00 -3.68 -0.01 0.00 0.13 0.00 0.00 42.46 38.90 1ibk s ILE 70 CO 0.00 -0.56 1.05 -0.94 -1.91 0.00 0.00 174.94 172.59 1ibk s SER 71 N -2.76 5.74 0.29 4.50 1.04 -1.26 -4.74 113.70 116.51 1ibk s SER 71 Ca 0.60 1.45 -0.01 0.00 0.48 0.00 0.00 55.95 58.46 1ibk s SER 71 Cb -0.10 -2.39 0.43 0.00 0.10 0.00 0.00 66.02 64.06 1ibk s SER 71 CO 0.25 -1.19 1.87 -0.08 0.98 0.00 0.00 173.24 175.07 1ibk h GLU 72 N -0.54 0.89 0.49 4.02 4.57 -1.97 0.10 114.58 122.14 1ibk h GLU 72 Ca -0.44 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 57.58 1ibk h GLU 72 Cb 1.21 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 1ibk h GLU 72 CO 0.60 0.73 -0.45 -0.09 -1.18 0.00 0.00 179.01 178.62 1ibk h ARG 73 N 0.88 -0.89 -0.88 1.92 9.65 -2.00 -1.20 114.38 121.86 1ibk h ARG 73 Ca 0.21 0.06 0.03 0.00 -1.10 0.00 0.00 59.98 59.18 1ibk h ARG 73 Cb 0.16 0.20 -0.05 0.00 -1.39 0.00 0.00 29.97 28.90 1ibk h ARG 73 CO -0.02 -0.59 0.57 1.96 2.80 0.00 0.00 179.97 184.69 1ibk h GLN 74 N -0.92 1.10 -0.27 0.20 4.20 -1.90 -2.63 115.11 114.89 1ibk h GLN 74 Ca -0.06 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.63 1ibk h GLN 74 Cb 0.79 -0.25 -0.05 0.00 0.30 0.00 0.00 27.48 28.27 1ibk h GLN 74 CO -0.03 0.73 -0.03 0.35 -0.67 0.00 0.00 178.83 179.18 1ibk h PHE 75 N 1.13 -0.07 0.50 2.96 3.57 -0.58 -0.37 116.94 124.08 1ibk h PHE 75 Ca 0.34 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.85 1ibk h PHE 75 Cb -0.03 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1ibk h PHE 75 CO -0.02 -0.08 -0.31 -0.09 -2.23 0.00 0.00 178.31 175.59 1ibk h ARG 76 N 0.04 -0.74 -0.17 1.11 9.65 -0.92 0.82 114.38 124.18 1ibk h ARG 76 Ca 0.13 0.05 0.05 0.00 -1.10 0.00 0.00 59.98 59.11 1ibk h ARG 76 Cb 0.18 0.17 -0.07 0.00 -1.39 0.00 0.00 29.97 28.86 1ibk h ARG 76 CO -0.24 -0.49 -0.30 -0.91 2.80 0.00 0.00 179.97 180.82 1ibk h ASN 77 N -0.77 -0.95 -0.51 -3.80 2.35 -1.28 0.59 115.58 111.22 1ibk h ASN 77 Ca -0.06 0.15 0.10 0.00 -0.55 0.00 0.00 56.30 55.94 1ibk h ASN 77 Cb 0.63 0.41 -0.10 0.00 0.05 0.00 0.00 38.32 39.31 1ibk h ASN 77 CO 0.06 -0.34 -0.30 -0.07 -1.65 0.00 0.00 177.43 175.13 1ibk h LEU 78 N -0.35 -1.02 0.51 1.61 3.38 -0.74 0.36 115.31 119.06 1ibk h LEU 78 Ca 0.11 0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1ibk h LEU 78 Cb 0.52 0.51 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1ibk h LEU 78 CO -0.37 -0.29 -0.51 0.15 0.09 0.00 0.00 178.44 177.51 1ibk h PHE 79 N -0.18 -1.40 -1.18 1.13 3.57 0.88 -0.65 116.94 119.12 1ibk h PHE 79 Ca 0.22 0.01 0.33 0.00 3.53 0.00 0.00 57.97 62.06 1ibk h PHE 79 Cb 0.53 0.54 -0.07 0.00 2.79 0.00 0.00 35.95 39.74 1ibk h PHE 79 CO -0.57 -0.67 0.82 0.93 -2.23 0.00 0.00 178.31 176.58 1ibk h GLU 80 N -1.01 0.12 -0.00 1.11 4.39 0.12 0.44 114.58 119.75 1ibk h GLU 80 Ca -0.06 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1ibk h GLU 80 Cb 0.88 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1ibk h GLU 80 CO -0.06 0.08 -0.00 1.49 -1.16 0.00 0.00 179.01 179.35 1ibk h GLU 81 N 0.12 0.00 -0.96 2.33 4.81 0.10 -1.08 114.58 119.91 1ibk h GLU 81 Ca 0.60 -0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.94 1ibk h GLU 81 Cb 2.11 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 31.41 1ibk h GLU 81 CO -0.12 0.50 0.59 0.00 -0.73 0.00 0.00 179.01 179.26 1ibk h ALA 82 N 0.50 1.43 -0.79 2.92 0.00 0.92 0.75 119.26 124.99 1ibk h ALA 82 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1ibk h ALA 82 Cb 0.50 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1ibk h ALA 82 CO 0.00 0.21 0.50 0.77 0.00 0.00 0.00 179.25 180.73 1ibk h SER 83 N 0.96 0.81 -0.11 0.00 0.02 -0.01 -2.43 113.55 112.79 1ibk h SER 83 Ca 0.47 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.27 1ibk h SER 83 Cb 0.44 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1ibk h SER 83 CO -0.26 0.55 -0.46 0.11 -1.14 0.00 0.00 176.83 175.63 1ibk h LYS 84 N 0.95 0.66 -7.27 3.45 1.57 0.37 -3.45 116.57 112.85 1ibk h LYS 84 Ca 0.32 -0.37 -0.42 0.00 -1.87 0.00 0.00 60.65 58.31 1ibk h LYS 84 Cb 0.05 0.02 0.19 0.00 0.08 0.00 0.00 32.23 32.58 1ibk h LYS 84 CO -0.13 0.98 0.08 0.15 -0.57 0.00 0.00 179.45 179.96 1ibk s LYS 85 N -4.18 -1.08 0.00 3.15 1.02 -0.01 -5.05 119.74 113.59 1ibk s LYS 85 Ca -0.08 0.29 0.00 0.00 0.02 0.00 0.00 55.97 56.20 1ibk s LYS 85 Cb 0.12 -1.58 0.00 0.00 -0.52 0.00 0.00 37.83 35.84 1ibk s LYS 85 CO 0.85 -3.69 0.00 1.63 -0.92 0.00 0.00 175.35 173.21 1ibk n LYS 86 N -4.81 0.31 -1.43 1.68 5.02 -1.26 -4.89 118.16 112.77 1ibk n LYS 86 Ca 0.09 0.00 0.19 0.00 -2.02 0.00 0.00 58.31 56.56 1ibk n LYS 86 Cb 0.58 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.53 1ibk n LYS 86 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ibk n GLY 87 N 4.74 -2.30 3.55 0.72 0.00 -1.26 -4.53 105.19 106.11 1ibk n GLY 87 Ca 0.00 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 1ibk n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ibk n VAL 88 N -4.22 -0.08 -0.17 1.61 0.31 -1.26 -4.83 118.33 109.69 1ibk n VAL 88 Ca -0.02 -0.72 -0.04 0.00 -0.01 0.00 0.00 64.34 63.54 1ibk n VAL 88 Cb 0.68 -2.57 -0.04 0.00 -0.91 0.00 0.00 33.84 31.00 1ibk n VAL 88 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1ibk n THR 89 N 8.03 -0.27 0.00 2.52 -1.04 -1.26 -1.36 114.28 120.90 1ibk n THR 89 Ca 0.40 1.42 0.00 0.00 -2.04 0.00 0.00 64.05 63.83 1ibk n THR 89 Cb 0.50 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 67.21 1ibk n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ibk n GLY 90 N -1.10 -1.73 0.00 3.41 0.00 -1.26 -1.46 105.19 103.06 1ibk n GLY 90 Ca 0.01 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1ibk n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ibk n SER 91 N -2.09 0.00 -0.14 1.61 7.64 -0.46 -2.54 113.62 117.64 1ibk n SER 91 Ca 0.00 0.97 -0.00 0.00 1.01 0.00 0.00 58.87 60.85 1ibk n SER 91 Cb 0.00 -0.47 0.02 0.00 -1.01 0.00 0.00 64.21 62.75 1ibk n SER 91 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1ibk n VAL 92 N -2.36 -0.19 -0.01 0.44 0.31 -0.81 0.14 118.33 115.84 1ibk n VAL 92 Ca 0.00 0.84 -0.01 0.00 -0.01 0.00 0.00 64.34 65.16 1ibk n VAL 92 Cb 0.00 -1.12 -0.01 0.00 -0.91 0.00 0.00 33.84 31.80 1ibk n VAL 92 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1ibk h PHE 93 N 0.00 -0.17 -1.29 3.52 -0.00 -0.96 0.67 116.94 118.71 1ibk h PHE 93 Ca 0.13 0.01 0.40 0.00 -0.00 0.00 0.00 57.97 58.51 1ibk h PHE 93 Cb 0.22 0.08 -0.11 0.00 -0.00 0.00 0.00 35.95 36.14 1ibk h PHE 93 CO -0.31 -0.05 0.85 -0.07 -0.00 0.00 0.00 178.31 178.73 1ibk h LEU 94 N -0.04 0.25 0.61 0.59 3.38 0.12 0.38 115.31 120.61 1ibk h LEU 94 Ca 0.01 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1ibk h LEU 94 Cb 0.06 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1ibk h LEU 94 CO -0.06 -0.10 -0.36 1.23 0.09 0.00 0.00 178.44 179.24 1ibk h GLY 95 N 0.14 -1.06 0.51 0.83 0.00 0.20 0.19 103.07 103.88 1ibk h GLY 95 Ca 0.76 0.43 0.06 0.00 0.00 0.00 0.00 47.33 48.58 1ibk h GLY 95 CO -0.34 -0.36 0.03 1.41 0.00 0.00 0.00 176.54 177.27 1ibk h LEU 96 N -0.90 -0.08 -1.16 3.11 -0.00 0.22 -0.64 115.31 115.86 1ibk h LEU 96 Ca -0.08 0.07 0.20 0.00 -0.00 0.00 0.00 57.88 58.06 1ibk h LEU 96 Cb 0.71 0.11 -0.10 0.00 -0.00 0.00 0.00 40.66 41.39 1ibk h LEU 96 CO 0.09 -0.01 0.62 -0.07 -0.00 0.00 0.00 178.44 179.07 1ibk h LEU 97 N 0.13 0.67 -0.02 1.67 3.38 -0.73 0.20 115.31 120.62 1ibk h LEU 97 Ca 0.16 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1ibk h LEU 97 Cb 0.21 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1ibk h LEU 97 CO -0.25 0.24 0.00 1.21 0.09 0.00 0.00 178.44 179.73 1ibk n GLU 98 N -4.69 0.06 -0.04 1.13 4.07 0.05 -3.18 120.64 118.05 1ibk n GLU 98 Ca 0.22 0.07 0.12 0.00 -0.06 0.00 0.00 57.16 57.52 1ibk n GLU 98 Cb 0.62 -1.57 0.43 0.00 -0.06 0.00 0.00 31.44 30.86 1ibk n GLU 98 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1ibk n SER 99 N -1.68 1.71 -4.71 4.31 7.64 0.71 -4.35 113.62 117.26 1ibk n SER 99 Ca 0.06 -1.63 -0.42 0.00 1.01 0.00 0.00 58.87 57.90 1ibk n SER 99 Cb 0.35 -0.05 -0.03 0.00 -1.01 0.00 0.00 64.21 63.46 1ibk n SER 99 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ibk s ARG 100 N -1.90 4.23 0.15 1.43 0.52 -1.19 -0.71 118.95 121.48 1ibk s ARG 100 Ca 0.35 2.29 -0.24 0.00 -0.52 0.00 0.00 55.73 57.61 1ibk s ARG 100 Cb 0.20 -3.35 0.03 0.00 0.52 0.00 0.00 34.95 32.34 1ibk s ARG 100 CO 0.30 -0.63 1.60 1.25 0.02 0.00 0.00 175.30 177.84 1ibk h LEU 101 N 7.53 -1.08 -1.97 2.53 5.85 -0.52 0.38 115.31 128.04 1ibk h LEU 101 Ca -0.42 0.18 0.31 0.00 0.84 0.00 0.00 57.88 58.78 1ibk h LEU 101 Cb 1.20 0.49 -0.05 0.00 0.37 0.00 0.00 40.66 42.67 1ibk h LEU 101 CO 0.91 -0.34 0.77 -2.24 -0.34 0.00 0.00 178.44 177.20 1ibk h ASP 102 N -0.31 0.02 0.06 1.25 2.03 -1.74 0.69 116.42 118.43 1ibk h ASP 102 Ca 0.14 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.44 1ibk h ASP 102 Cb 0.54 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.04 1ibk h ASP 102 CO -0.48 0.00 -0.03 -1.13 -1.03 0.00 0.00 179.24 176.58 1ibk h ASN 103 N 0.02 -0.07 -0.95 4.15 -1.24 -0.70 -3.07 115.58 113.71 1ibk h ASN 103 Ca 0.51 0.00 0.18 0.00 0.71 0.00 0.00 56.30 57.70 1ibk h ASN 103 Cb 2.02 0.02 -0.17 0.00 0.73 0.00 0.00 38.32 40.92 1ibk h ASN 103 CO -0.02 0.21 -0.28 0.52 -1.29 0.00 0.00 177.43 176.57 1ibk n VAL 104 N -3.71 -0.43 0.02 2.57 0.31 0.61 1.00 118.33 118.70 1ibk n VAL 104 Ca -0.01 2.20 -0.11 0.00 -0.01 0.00 0.00 64.34 66.40 1ibk n VAL 104 Cb 0.03 -2.99 -0.05 0.00 -0.91 0.00 0.00 33.84 29.93 1ibk n VAL 104 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ibk h VAL 105 N 0.00 0.28 -0.47 2.52 2.07 -1.02 0.21 116.25 119.84 1ibk h VAL 105 Ca 0.41 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.00 1ibk h VAL 105 Cb 0.65 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1ibk h VAL 105 CO -0.97 0.00 0.16 0.22 0.02 0.00 0.00 177.57 177.00 1ibk h TYR 106 N -0.43 0.28 -0.81 1.57 3.20 0.74 -0.34 116.97 121.20 1ibk h TYR 106 Ca 0.08 0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.16 1ibk h TYR 106 Cb 0.56 -0.06 -0.12 0.00 1.54 0.00 0.00 36.73 38.66 1ibk h TYR 106 CO -0.40 0.09 0.27 0.00 -1.64 0.00 0.00 178.16 176.49 1ibk h ARG 107 N 0.33 0.33 -0.93 1.82 2.47 0.19 -0.70 114.38 117.89 1ibk h ARG 107 Ca 0.22 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 1ibk h ARG 107 Cb 0.23 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 1ibk h ARG 107 CO -0.23 0.22 0.00 1.28 0.56 0.00 0.00 179.97 181.80 1ibk n LEU 108 N -5.10 0.93 0.00 3.04 4.77 0.60 -4.87 117.00 116.37 1ibk n LEU 108 Ca 0.17 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1ibk n LEU 108 Cb 0.53 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1ibk n LEU 108 CO 0.13 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1ibk n GLY 109 N 0.04 0.52 0.26 -0.72 0.00 -0.27 -4.76 105.19 100.26 1ibk n GLY 109 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1ibk n GLY 109 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ibk h PHE 110 N 0.00 0.21 -3.45 1.61 0.04 -1.75 -3.40 116.94 110.20 1ibk h PHE 110 Ca 0.00 -0.01 -0.66 0.00 2.80 0.00 0.00 57.97 60.10 1ibk h PHE 110 Cb 0.00 -0.07 -0.14 0.00 2.20 0.00 0.00 35.95 37.94 1ibk h PHE 110 CO 0.00 0.23 -0.69 0.00 -0.60 0.00 0.00 178.31 177.25 1ibk s ALA 111 N -5.02 3.15 0.16 2.45 0.00 -1.26 -4.71 121.76 116.53 1ibk s ALA 111 Ca -0.06 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1ibk s ALA 111 Cb 0.16 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 1ibk s ALA 111 CO 0.71 0.67 1.37 0.28 0.00 0.00 0.00 175.76 178.79 1ibk h VAL 112 N 3.15 1.44 -4.10 0.00 2.07 -1.91 -3.45 116.25 113.45 1ibk h VAL 112 Ca -0.48 -2.46 -0.14 0.00 0.82 0.00 0.00 66.70 64.43 1ibk h VAL 112 Cb 1.17 2.38 -0.12 0.00 -1.52 0.00 0.00 31.29 33.19 1ibk h VAL 112 CO 0.56 0.73 -0.36 -0.94 0.02 0.00 0.00 177.57 177.58 1ibk s SER 113 N -6.98 0.03 0.13 0.57 1.04 -1.26 -3.81 113.70 103.41 1ibk s SER 113 Ca -0.04 -1.15 -0.24 0.00 0.48 0.00 0.00 55.95 55.00 1ibk s SER 113 Cb 0.10 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 1ibk s SER 113 CO 0.84 -0.99 1.65 0.03 0.98 0.00 0.00 173.24 175.74 1ibk h ARG 114 N 2.43 -0.28 0.82 4.02 2.47 -1.86 0.39 114.38 122.38 1ibk h ARG 114 Ca -0.31 0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.39 1ibk h ARG 114 Cb 1.25 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.64 1ibk h ARG 114 CO 0.44 -0.19 -0.45 0.00 0.56 0.00 0.00 179.97 180.33 1ibk h ARG 115 N -0.29 -1.13 -1.03 0.04 3.08 -1.94 -2.19 114.38 110.92 1ibk h ARG 115 Ca 0.08 0.08 0.28 0.00 0.07 0.00 0.00 59.98 60.49 1ibk h ARG 115 Cb 0.41 0.26 -0.06 0.00 0.08 0.00 0.00 29.97 30.66 1ibk h ARG 115 CO -0.25 -0.75 0.71 0.37 -1.07 0.00 0.00 179.97 178.98 1ibk h GLN 116 N -1.17 0.16 -0.67 0.04 4.15 -1.89 0.52 115.11 116.26 1ibk h GLN 116 Ca -0.11 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 1ibk h GLN 116 Cb 0.92 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.54 1ibk h GLN 116 CO 0.15 0.11 0.37 0.00 -1.93 0.00 0.00 178.83 177.53 1ibk h ALA 117 N 1.54 0.86 0.02 3.38 0.00 -0.30 -2.88 119.26 121.87 1ibk h ALA 117 Ca 0.52 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1ibk h ALA 117 Cb 1.75 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1ibk h ALA 117 CO -0.12 0.36 -0.09 -0.09 0.00 0.00 0.00 179.25 179.32 1ibk h ARG 118 N 0.91 -0.12 -1.31 0.00 2.43 0.45 -1.98 114.38 114.76 1ibk h ARG 118 Ca 0.24 0.01 0.43 0.00 -0.81 0.00 0.00 59.98 59.84 1ibk h ARG 118 Cb 0.03 0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 29.48 1ibk h ARG 118 CO -0.04 -0.08 0.85 0.37 -1.51 0.00 0.00 179.97 179.56 1ibk h GLN 119 N -0.12 0.09 0.88 0.20 4.15 -1.48 0.26 115.11 119.08 1ibk h GLN 119 Ca -0.00 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 1ibk h GLN 119 Cb 0.12 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 27.80 1ibk h GLN 119 CO -0.05 0.06 -0.42 -0.07 -1.93 0.00 0.00 178.83 176.42 1ibk h LEU 120 N 0.09 -1.00 -0.65 -2.39 3.38 -1.15 0.38 115.31 113.98 1ibk h LEU 120 Ca 0.81 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.95 1ibk h LEU 120 Cb 2.55 0.26 -0.11 0.00 0.09 0.00 0.00 40.66 43.44 1ibk h LEU 120 CO -0.41 -0.65 -0.03 0.58 0.09 0.00 0.00 178.44 178.02 1ibk h VAL 121 N -1.31 0.44 -0.37 1.22 2.07 -0.13 -0.12 116.25 118.05 1ibk h VAL 121 Ca -0.12 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1ibk h VAL 121 Cb 0.90 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1ibk h VAL 121 CO 0.20 0.02 0.24 0.03 0.02 0.00 0.00 177.57 178.07 1ibk h ARG 122 N 0.09 0.50 -1.00 1.57 2.47 -1.03 -1.45 114.38 115.54 1ibk h ARG 122 Ca 0.34 -0.04 -0.05 0.00 -1.26 0.00 0.00 59.98 58.97 1ibk h ARG 122 Cb 0.55 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.74 1ibk h ARG 122 CO -0.58 0.36 0.06 0.72 0.56 0.00 0.00 179.97 181.09 1ibk n HIS 123 N -4.80 0.29 -1.36 3.04 8.25 0.13 -4.80 115.22 115.97 1ibk n HIS 123 Ca -0.00 -0.62 -0.07 0.00 -0.26 0.00 0.00 57.72 56.77 1ibk n HIS 123 Cb 0.04 -0.31 -0.03 0.00 1.12 0.00 0.00 29.99 30.81 1ibk n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ibk n GLY 124 N 0.34 0.53 0.00 -1.41 0.00 -0.55 -4.76 105.19 99.34 1ibk n GLY 124 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 1ibk n GLY 124 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ibk n HIS 125 N -1.66 0.00 -4.35 1.61 8.25 -0.80 -4.70 115.22 113.56 1ibk n HIS 125 Ca -0.07 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.13 1ibk n HIS 125 Cb 0.27 -0.22 -0.10 0.00 1.12 0.00 0.00 29.99 31.07 1ibk n HIS 125 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1ibk s ILE 126 N -2.44 2.89 -0.07 1.59 -1.09 -1.26 0.11 121.20 120.93 1ibk s ILE 126 Ca 0.28 -1.90 -0.09 0.00 -2.23 0.00 0.00 60.65 56.71 1ibk s ILE 126 Cb 0.18 -2.45 0.02 0.00 -1.58 0.00 0.00 42.46 38.63 1ibk s ILE 126 CO 0.38 -0.19 0.24 0.28 -1.23 0.00 0.00 174.94 174.42 1ibk s THR 127 N -1.89 0.01 -0.31 2.92 -1.32 0.06 -3.34 115.64 111.78 1ibk s THR 127 Ca 0.25 -0.11 -0.07 0.00 -1.21 0.00 0.00 61.69 60.55 1ibk s THR 127 Cb -0.08 -0.38 0.01 0.00 -1.51 0.00 0.00 72.50 70.55 1ibk s THR 127 CO 0.14 -0.06 0.10 -0.69 -2.21 0.00 0.00 174.62 171.90 1ibk s VAL 128 N -0.15 4.06 -1.26 5.08 1.01 0.21 -0.82 120.40 128.53 1ibk s VAL 128 Ca -0.03 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 1ibk s VAL 128 Cb -0.03 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.23 1ibk s VAL 128 CO 0.01 0.03 0.08 0.59 0.00 0.00 0.00 175.10 175.80 1ibk n ASN 129 N 4.88 -4.44 0.00 3.32 3.02 -0.48 -2.07 115.26 119.50 1ibk n ASN 129 Ca -0.14 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 1ibk n ASN 129 Cb 0.48 -3.73 0.00 0.00 -0.61 0.00 0.00 39.78 35.92 1ibk n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ibk n GLY 130 N -0.93 2.87 3.73 7.41 0.00 -1.26 -5.01 105.19 112.01 1ibk n GLY 130 Ca -0.15 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 1ibk n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ibk n ARG 131 N 0.00 2.64 -2.53 1.61 3.00 -0.88 -4.92 116.66 115.58 1ibk n ARG 131 Ca 0.00 0.94 -0.42 0.00 -0.01 0.00 0.00 57.85 58.37 1ibk n ARG 131 Cb 0.00 -2.73 -0.03 0.00 0.00 0.00 0.00 32.46 29.70 1ibk n ARG 131 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1ibk s ARG 132 N -0.06 4.53 -0.16 5.56 3.52 -1.26 -0.62 118.95 130.45 1ibk s ARG 132 Ca 0.67 1.66 -0.01 0.00 -0.13 0.00 0.00 55.73 57.93 1ibk s ARG 132 Cb -0.52 -3.35 0.04 0.00 -1.56 0.00 0.00 34.95 29.56 1ibk s ARG 132 CO 0.45 -0.08 -0.05 0.08 -0.81 0.00 0.00 175.30 174.88 1ibk s VAL 133 N 0.57 1.08 -0.30 7.11 1.01 -1.21 -4.89 120.40 123.77 1ibk s VAL 133 Ca 0.54 -0.58 0.11 0.00 0.00 0.00 0.00 61.98 62.04 1ibk s VAL 133 Cb -0.27 -1.24 0.69 0.00 0.00 0.00 0.00 36.38 35.56 1ibk s VAL 133 CO 0.31 0.15 1.72 -0.90 0.00 0.00 0.00 175.10 176.37 1ibk n ASP 134 N 4.89 4.46 -4.25 3.32 5.75 -1.24 -4.73 116.55 124.75 1ibk n ASP 134 Ca -0.12 -3.26 -0.42 0.00 -0.01 0.00 0.00 54.79 50.99 1ibk n ASP 134 Cb 0.48 -0.71 -0.08 0.00 -1.03 0.00 0.00 41.12 39.78 1ibk n ASP 134 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1ibk s LEU 135 N -3.00 5.72 0.22 -2.12 1.43 -1.26 -3.91 118.68 115.75 1ibk s LEU 135 Ca 0.52 -1.80 -0.12 0.00 -1.03 0.00 0.00 54.13 51.71 1ibk s LEU 135 Cb 0.42 -2.06 0.29 0.00 0.03 0.00 0.00 46.19 44.87 1ibk s LEU 135 CO 0.11 -0.70 1.64 -0.65 0.23 0.00 0.00 176.35 176.98 1ibk h PRO 136 N 8.55 0.05 0.00 1.29 0.11 -1.90 0.28 132.00 140.38 1ibk h PRO 136 Ca -0.24 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1ibk h PRO 136 Cb 1.08 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1ibk h PRO 136 CO 0.88 0.03 0.00 0.66 -0.21 0.00 0.00 178.00 179.37 1ibk h SER 137 N 0.05 0.00 -1.56 -2.05 4.64 -1.97 -2.64 113.55 110.03 1ibk h SER 137 Ca 0.33 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.94 1ibk h SER 137 Cb 0.53 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.67 1ibk h SER 137 CO -0.61 0.00 0.41 0.00 -0.87 0.00 0.00 176.83 175.76 1ibk n TYR 138 N -2.31 1.40 -3.02 4.77 9.36 0.98 -4.63 117.16 123.70 1ibk n TYR 138 Ca -0.01 0.71 -0.43 0.00 3.32 0.00 0.00 57.90 61.49 1ibk n TYR 138 Cb 0.09 -2.30 -0.05 0.00 -0.63 0.00 0.00 39.34 36.45 1ibk n TYR 138 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 1ibk s ARG 139 N 0.57 3.17 -0.13 2.98 3.52 -1.26 -0.21 118.95 127.59 1ibk s ARG 139 Ca 0.86 -0.76 -0.29 0.00 -0.13 0.00 0.00 55.73 55.42 1ibk s ARG 139 Cb -1.02 -4.12 -0.05 0.00 -1.56 0.00 0.00 34.95 28.21 1ibk s ARG 139 CO 0.50 -1.41 1.73 0.08 -0.81 0.00 0.00 175.30 175.39 1ibk s VAL 140 N 3.20 3.51 0.71 7.11 1.01 0.12 -4.96 120.40 131.09 1ibk s VAL 140 Ca 0.20 0.59 -0.06 0.00 0.00 0.00 0.00 61.98 62.71 1ibk s VAL 140 Cb -0.18 -3.47 0.07 0.00 0.00 0.00 0.00 36.38 32.81 1ibk s VAL 140 CO 0.13 -0.15 1.02 -0.60 0.00 0.00 0.00 175.10 175.49 1ibk s ARG 141 N 4.60 2.08 0.14 2.72 3.52 -1.26 -4.81 118.95 125.93 1ibk s ARG 141 Ca 0.77 -0.38 -0.30 0.00 -0.13 0.00 0.00 55.73 55.69 1ibk s ARG 141 Cb -0.31 -2.19 -0.07 0.00 -1.56 0.00 0.00 34.95 30.83 1ibk s ARG 141 CO 0.31 -1.30 1.13 -2.14 -0.81 0.00 0.00 175.30 172.50 1ibk s PRO 142 N -5.24 4.54 0.00 5.12 0.02 -1.26 -3.08 135.00 135.09 1ibk s PRO 142 Ca 0.61 1.73 0.00 0.00 0.02 0.00 0.00 61.00 63.37 1ibk s PRO 142 Cb -0.10 -3.30 0.00 0.00 0.02 0.00 0.00 34.50 31.12 1ibk s PRO 142 CO 0.45 -0.04 0.00 0.41 -0.33 0.00 0.00 177.00 177.49 1ibk n GLY 143 N 2.42 2.15 3.61 0.52 0.00 0.71 -4.98 105.19 109.62 1ibk n GLY 143 Ca 0.05 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 1ibk n GLY 143 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ibk n ASP 144 N 0.17 1.43 -4.30 1.61 8.00 -1.18 -4.63 116.55 117.65 1ibk n ASP 144 Ca 0.00 1.12 -0.38 0.00 0.71 0.00 0.00 54.79 56.24 1ibk n ASP 144 Cb 0.00 -1.34 -0.12 0.00 -0.02 0.00 0.00 41.12 39.64 1ibk n ASP 144 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1ibk s GLU 145 N -1.79 2.73 -0.31 -1.24 2.02 -1.26 -1.64 118.70 117.21 1ibk s GLU 145 Ca 0.60 -1.11 -0.21 0.00 0.02 0.00 0.00 54.97 54.27 1ibk s GLU 145 Cb -0.62 -3.50 -0.01 0.00 0.10 0.00 0.00 34.13 30.11 1ibk s GLU 145 CO 0.59 -0.64 0.67 0.42 0.02 0.00 0.00 175.26 176.32 1ibk s ILE 146 N 1.45 4.90 0.07 -1.63 1.09 -0.99 -1.38 121.20 124.71 1ibk s ILE 146 Ca -0.00 0.91 0.07 0.00 -1.10 0.00 0.00 60.65 60.53 1ibk s ILE 146 Cb -0.19 -4.04 -0.03 0.00 -1.06 0.00 0.00 42.46 37.14 1ibk s ILE 146 CO 0.03 -0.18 -0.19 0.00 -0.10 0.00 0.00 174.94 174.51 1ibk s ALA 147 N 2.70 1.61 0.38 9.38 0.00 -0.00 -1.93 121.76 133.89 1ibk s ALA 147 Ca 0.27 -1.10 -0.27 0.00 0.00 0.00 0.00 51.96 50.86 1ibk s ALA 147 Cb -0.15 -0.24 -0.09 0.00 0.00 0.00 0.00 23.12 22.64 1ibk s ALA 147 CO 0.12 0.32 1.29 0.08 0.00 0.00 0.00 175.76 177.57 1ibk s VAL 148 N -1.04 2.70 -0.11 0.00 1.01 -1.22 -0.76 120.40 120.98 1ibk s VAL 148 Ca 0.05 0.64 -0.30 0.00 0.00 0.00 0.00 61.98 62.37 1ibk s VAL 148 Cb -0.09 -3.39 -0.08 0.00 0.00 0.00 0.00 36.38 32.82 1ibk s VAL 148 CO 0.03 0.11 2.08 0.00 0.00 0.00 0.00 175.10 177.32 1ibk n ALA 149 N 0.33 1.56 -0.03 5.51 0.00 0.31 -4.79 120.51 123.40 1ibk n ALA 149 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1ibk n ALA 149 Cb 0.43 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 17.13 1ibk n ALA 149 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ibk n GLU 150 N 7.99 0.00 -0.35 0.00 4.71 -1.26 0.17 120.64 131.89 1ibk n GLU 150 Ca 0.26 0.46 0.06 0.00 -0.01 0.00 0.00 57.16 57.93 1ibk n GLU 150 Cb 0.40 -0.70 0.23 0.00 -1.01 0.00 0.00 31.44 30.36 1ibk n GLU 150 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1ibk h LYS 151 N 0.00 1.01 0.00 3.49 6.56 -1.98 -0.11 116.57 125.53 1ibk h LYS 151 Ca 0.00 -0.06 -0.05 0.00 -1.06 0.00 0.00 60.65 59.48 1ibk h LYS 151 Cb 0.00 -0.23 -0.01 0.00 -0.57 0.00 0.00 32.23 31.43 1ibk h LYS 151 CO 0.00 0.67 -0.23 0.77 -2.06 0.00 0.00 179.45 178.60 1ibk h SER 152 N 1.04 0.00 -0.77 0.86 0.02 0.13 -3.17 113.55 111.66 1ibk h SER 152 Ca 0.47 0.00 0.22 0.00 -0.84 0.00 0.00 61.79 61.64 1ibk h SER 152 Cb 0.38 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1ibk h SER 152 CO -0.22 0.23 0.74 0.03 -1.14 0.00 0.00 176.83 176.46 1ibk h ARG 153 N 0.00 0.00 0.00 3.45 3.08 0.26 1.14 114.38 122.31 1ibk h ARG 153 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ibk h ARG 153 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1ibk h ARG 153 CO 0.03 0.00 -0.03 0.09 -1.07 0.00 0.00 179.97 178.99 1ibk n ASN 154 N -3.73 0.06 -4.68 7.04 3.02 -1.20 -4.63 115.26 111.14 1ibk n ASN 154 Ca 0.16 0.45 -0.47 0.00 -0.03 0.00 0.00 54.58 54.69 1ibk n ASN 154 Cb 1.01 -0.46 -0.04 0.00 -0.61 0.00 0.00 39.78 39.68 1ibk n ASN 154 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ibk n LEU 155 N -1.52 3.58 -0.27 3.41 4.77 0.39 -4.87 117.00 122.50 1ibk n LEU 155 Ca 0.07 0.96 -0.07 0.00 -0.03 0.00 0.00 56.01 56.94 1ibk n LEU 155 Cb 0.34 -1.41 -0.06 0.00 -2.33 0.00 0.00 43.42 39.96 1ibk n LEU 155 CO 0.28 -0.01 0.47 1.21 -1.33 0.00 0.00 177.39 178.00 1ibk n GLU 156 N 6.64 -0.28 -0.04 3.23 2.13 -1.26 -0.68 120.64 130.38 1ibk n GLU 156 Ca 0.22 1.29 -0.08 0.00 0.66 0.00 0.00 57.16 59.24 1ibk n GLU 156 Cb 0.32 -1.90 -0.02 0.00 0.27 0.00 0.00 31.44 30.11 1ibk n GLU 156 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1ibk h LEU 157 N 0.00 -0.71 -2.18 4.31 6.46 -1.96 0.19 115.31 121.42 1ibk h LEU 157 Ca 0.10 0.13 0.04 0.00 -0.12 0.00 0.00 57.88 58.03 1ibk h LEU 157 Cb 0.26 0.34 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 1ibk h LEU 157 CO -0.60 -0.26 0.12 0.40 -0.62 0.00 0.00 178.44 177.47 1ibk h ILE 158 N -0.24 0.69 0.22 4.05 2.04 -1.53 0.47 117.51 123.21 1ibk h ILE 158 Ca 0.13 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 1ibk h ILE 158 Cb 0.44 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1ibk h ILE 158 CO -0.36 0.00 -0.11 0.03 0.00 0.00 0.00 178.15 177.71 1ibk h ARG 159 N 0.00 -0.28 -1.22 2.37 3.08 0.15 0.27 114.38 118.74 1ibk h ARG 159 Ca 0.06 0.02 0.36 0.00 0.07 0.00 0.00 59.98 60.50 1ibk h ARG 159 Cb 0.31 0.06 -0.10 0.00 0.08 0.00 0.00 29.97 30.32 1ibk h ARG 159 CO -0.00 -0.19 0.81 1.96 -1.07 0.00 0.00 179.97 181.48 1ibk h GLN 160 N -0.85 0.18 0.00 0.04 4.20 -0.32 0.78 115.11 119.14 1ibk h GLN 160 Ca -0.03 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1ibk h GLN 160 Cb 0.23 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1ibk h GLN 160 CO 0.05 0.12 0.00 0.09 -0.67 0.00 0.00 178.83 178.42 1ibk n ASN 161 N -4.56 0.00 0.10 1.46 4.13 0.16 -3.13 115.26 113.42 1ibk n ASN 161 Ca 0.31 0.40 0.05 0.00 1.68 0.00 0.00 54.58 57.02 1ibk n ASN 161 Cb 1.22 -0.23 0.25 0.00 -1.54 0.00 0.00 39.78 39.48 1ibk n ASN 161 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1ibk n LEU 162 N -1.18 0.24 0.10 3.41 0.00 0.94 -1.72 117.00 118.79 1ibk n LEU 162 Ca 0.00 0.52 -0.04 0.00 0.00 0.00 0.00 56.01 56.48 1ibk n LEU 162 Cb 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 43.42 42.89 1ibk n LEU 162 CO 0.00 -0.60 0.25 -0.08 0.00 0.00 0.00 177.39 176.96 1ibk h GLU 163 N 0.00 -0.27 0.00 1.96 4.57 0.49 -3.00 114.58 118.33 1ibk h GLU 163 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1ibk h GLU 163 Cb 0.35 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1ibk h GLU 163 CO 0.00 -0.18 0.17 0.00 -1.18 0.00 0.00 179.01 177.82 1ibk n ALA 164 N -2.31 0.72 0.31 2.92 0.00 -0.70 -0.46 120.51 120.99 1ibk n ALA 164 Ca -0.03 0.05 0.16 0.00 0.00 0.00 0.00 53.44 53.62 1ibk n ALA 164 Cb 0.11 -0.79 0.73 0.00 0.00 0.00 0.00 19.45 19.51 1ibk n ALA 164 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1ibk h MET 165 N 0.00 0.00 -6.46 0.00 2.86 -1.35 -3.40 114.93 106.58 1ibk h MET 165 Ca 0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1ibk h MET 165 Cb 0.34 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.03 1ibk h MET 165 CO 0.00 0.00 1.06 0.15 1.06 0.00 0.00 176.91 179.18 1ibk s LYS 166 N -3.66 4.17 0.00 1.72 1.02 0.40 -2.92 119.74 120.47 1ibk s LYS 166 Ca 0.00 2.45 0.00 0.00 0.02 0.00 0.00 55.97 58.44 1ibk s LYS 166 Cb 0.10 -3.65 0.00 0.00 -0.52 0.00 0.00 37.83 33.76 1ibk s LYS 166 CO 0.44 -0.80 0.00 0.41 -0.92 0.00 0.00 175.35 174.49 1ibk n GLY 167 N 4.13 2.20 3.64 -3.33 0.00 -1.26 -5.02 105.19 105.55 1ibk n GLY 167 Ca 0.17 -0.65 -0.64 0.00 0.00 0.00 0.00 46.02 44.90 1ibk n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ibk n ARG 168 N 0.00 0.00 -2.08 1.61 1.74 -1.15 -4.92 116.66 111.86 1ibk n ARG 168 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 1ibk n ARG 168 Cb 0.00 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.00 1ibk n ARG 168 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1ibk s LYS 169 N 1.83 2.54 0.32 5.56 2.20 -1.26 -5.02 119.74 125.91 1ibk s LYS 169 Ca 0.99 0.12 0.10 0.00 -0.36 0.00 0.00 55.97 56.82 1ibk s LYS 169 Cb -1.41 -2.10 -0.06 0.00 -1.51 0.00 0.00 37.83 32.75 1ibk s LYS 169 CO 0.72 -1.11 -0.10 0.54 -0.36 0.00 0.00 175.35 175.03 1ibk s VAL 170 N -3.29 2.41 0.57 4.02 0.11 -1.26 -5.11 120.40 117.85 1ibk s VAL 170 Ca 0.58 -2.21 -0.20 0.00 -2.93 0.00 0.00 61.98 57.22 1ibk s VAL 170 Cb -0.11 -2.58 -0.06 0.00 -1.53 0.00 0.00 36.38 32.10 1ibk s VAL 170 CO 0.48 -0.26 0.99 0.61 -3.33 0.00 0.00 175.10 173.59 1ibk n GLY 171 N -0.78 -0.25 0.00 6.54 0.00 -1.26 -4.85 105.19 104.59 1ibk n GLY 171 Ca -0.05 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 45.91 1ibk n GLY 171 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ibk n PRO 172 N -0.81 0.04 0.00 1.61 -0.04 -1.26 -0.96 135.00 133.59 1ibk n PRO 172 Ca 0.13 0.30 0.10 0.00 -0.04 0.00 0.00 63.50 63.99 1ibk n PRO 172 Cb 0.46 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.47 1ibk n PRO 172 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ibk n TRP 173 N -1.36 0.00 -4.53 0.54 2.14 -1.26 -4.90 117.44 108.08 1ibk n TRP 173 Ca 0.02 0.00 -0.31 0.00 2.07 0.00 0.00 57.50 59.27 1ibk n TRP 173 Cb 0.04 0.00 -0.06 0.00 -0.81 0.00 0.00 31.31 30.48 1ibk n TRP 173 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1ibk s LEU 174 N -1.86 2.39 -0.34 5.67 1.43 -0.13 -1.85 118.68 124.00 1ibk s LEU 174 Ca 0.21 -1.55 0.03 0.00 -1.03 0.00 0.00 54.13 51.79 1ibk s LEU 174 Cb 0.16 -0.85 0.19 0.00 0.03 0.00 0.00 46.19 45.72 1ibk s LEU 174 CO 0.33 -0.93 0.70 -0.94 0.23 0.00 0.00 176.35 175.74 1ibk s SER 175 N -3.99 -1.33 0.60 2.29 1.04 -1.21 -4.81 113.70 106.29 1ibk s SER 175 Ca 0.13 -0.20 -0.07 0.00 0.48 0.00 0.00 55.95 56.29 1ibk s SER 175 Cb 0.00 1.77 -0.00 0.00 0.10 0.00 0.00 66.02 67.89 1ibk s SER 175 CO 0.08 -0.20 0.93 -0.22 0.98 0.00 0.00 173.24 174.80 1ibk s LEU 176 N 2.42 3.23 -0.42 2.42 2.96 -1.26 -1.98 118.68 126.05 1ibk s LEU 176 Ca 0.15 0.88 0.06 0.00 -0.22 0.00 0.00 54.13 55.00 1ibk s LEU 176 Cb -0.06 -3.74 0.21 0.00 0.50 0.00 0.00 46.19 43.10 1ibk s LEU 176 CO -0.18 -1.03 0.50 -0.67 -1.32 0.00 0.00 176.35 173.65 1ibk n ASP 177 N -2.63 -0.88 -0.31 3.68 -0.08 0.46 -4.91 116.55 111.89 1ibk n ASP 177 Ca 0.04 -2.64 0.16 0.00 -1.51 0.00 0.00 54.79 50.84 1ibk n ASP 177 Cb 0.57 -0.06 0.33 0.00 2.34 0.00 0.00 41.12 44.30 1ibk n ASP 177 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1ibk h VAL 178 N 3.61 0.24 0.00 5.18 2.07 -1.94 0.26 116.25 125.66 1ibk h VAL 178 Ca 0.13 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1ibk h VAL 178 Cb 0.94 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1ibk h VAL 178 CO 0.35 0.03 0.00 -1.84 0.02 0.00 0.00 177.57 176.13 1ibk n GLU 179 N -5.25 0.00 0.00 1.57 0.00 -1.26 -2.02 120.64 113.67 1ibk n GLU 179 Ca 0.24 0.20 0.03 0.00 0.00 0.00 0.00 57.16 57.63 1ibk n GLU 179 Cb 0.78 -0.96 0.16 0.00 0.00 0.00 0.00 31.44 31.42 1ibk n GLU 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ibk n GLY 180 N -0.67 -0.26 3.15 -1.84 0.00 -1.05 -4.84 105.19 99.68 1ibk n GLY 180 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 1ibk n GLY 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ibk n MET 181 N -1.08 -1.50 -3.61 1.61 2.81 0.87 -4.87 117.12 111.35 1ibk n MET 181 Ca 0.04 1.47 -0.14 0.00 -1.81 0.00 0.00 57.70 57.26 1ibk n MET 181 Cb 0.03 -5.17 -0.06 0.00 -0.71 0.00 0.00 33.22 27.30 1ibk n MET 181 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1ibk s LYS 182 N -3.22 0.97 0.29 0.03 1.02 -0.90 -3.41 119.74 114.52 1ibk s LYS 182 Ca 0.04 -0.19 0.03 0.00 0.02 0.00 0.00 55.97 55.87 1ibk s LYS 182 Cb -0.01 0.44 -0.04 0.00 -0.52 0.00 0.00 37.83 37.70 1ibk s LYS 182 CO 0.78 -0.33 0.16 0.20 -0.92 0.00 0.00 175.35 175.23 1ibk s GLY 183 N -1.79 1.97 -0.19 -3.33 0.00 -0.81 0.18 107.32 103.34 1ibk s GLY 183 Ca -0.07 -1.78 -0.05 0.00 0.00 0.00 0.00 44.72 42.82 1ibk s GLY 183 CO 0.01 -1.56 0.34 1.25 0.00 0.00 0.00 173.10 173.14 1ibk s LYS 184 N -3.86 0.26 -0.75 2.90 2.20 -0.84 -2.35 119.74 117.31 1ibk s LYS 184 Ca 0.37 0.73 -0.26 0.00 -0.36 0.00 0.00 55.97 56.45 1ibk s LYS 184 Cb 0.05 -0.15 -0.05 0.00 -1.51 0.00 0.00 37.83 36.17 1ibk s LYS 184 CO 0.17 -0.41 2.02 0.12 -0.36 0.00 0.00 175.35 176.89 1ibk s PHE 185 N 2.51 1.60 -0.03 4.03 5.36 -0.65 -3.29 117.98 127.50 1ibk s PHE 185 Ca 0.04 0.94 -0.21 0.00 -0.96 0.00 0.00 56.93 56.74 1ibk s PHE 185 Cb -0.13 -3.94 -0.30 0.00 -0.34 0.00 0.00 43.02 38.31 1ibk s PHE 185 CO -0.12 -2.00 0.95 -0.07 -1.46 0.00 0.00 175.22 172.52 1ibk h LEU 186 N 18.12 0.50 -7.46 6.12 3.38 -1.68 2.11 115.31 136.40 1ibk h LEU 186 Ca -0.07 -0.91 -0.08 0.00 0.09 0.00 0.00 57.88 56.91 1ibk h LEU 186 Cb 1.09 -0.16 -0.16 0.00 0.09 0.00 0.00 40.66 41.51 1ibk h LEU 186 CO 1.18 1.36 -0.17 -0.60 0.09 0.00 0.00 178.44 180.31 1ibk s ARG 187 N -2.63 0.88 -0.44 1.13 6.06 -1.10 -4.52 118.95 118.34 1ibk s ARG 187 Ca -0.13 -0.46 -0.28 0.00 -2.50 0.00 0.00 55.73 52.36 1ibk s ARG 187 Cb 0.02 0.39 -0.00 0.00 0.06 0.00 0.00 34.95 35.41 1ibk s ARG 187 CO 0.83 -0.30 1.58 -0.51 -2.50 0.00 0.00 175.30 174.41 1ibk s LEU 188 N -2.10 3.49 0.21 -0.88 1.43 -1.26 -4.75 118.68 114.82 1ibk s LEU 188 Ca -0.04 0.81 -0.30 0.00 -1.03 0.00 0.00 54.13 53.56 1ibk s LEU 188 Cb -0.01 -3.32 -0.16 0.00 0.03 0.00 0.00 46.19 42.74 1ibk s LEU 188 CO -0.04 -1.68 0.90 -0.81 0.23 0.00 0.00 176.35 174.95 1ibk n PRO 189 N 8.43 0.80 -3.37 1.29 -0.04 -1.26 -4.94 135.00 135.90 1ibk n PRO 189 Ca 0.18 0.28 -0.25 0.00 -0.04 0.00 0.00 63.50 63.67 1ibk n PRO 189 Cb 0.48 -1.58 -0.02 0.00 -0.04 0.00 0.00 33.50 32.35 1ibk n PRO 189 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ibk s ASP 190 N -0.52 6.32 0.28 3.54 -1.08 -1.26 -4.61 116.67 119.35 1ibk s ASP 190 Ca 0.66 0.50 0.01 0.00 -0.52 0.00 0.00 52.55 53.20 1ibk s ASP 190 Cb -0.85 -2.05 0.68 0.00 -1.46 0.00 0.00 42.92 39.24 1ibk s ASP 190 CO 0.57 -0.27 1.66 -0.09 0.52 0.00 0.00 175.17 177.55 1ibk h ARG 191 N 0.94 0.23 -0.57 4.34 9.65 -1.92 0.93 114.38 127.99 1ibk h ARG 191 Ca -0.49 -0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.39 1ibk h ARG 191 Cb 1.21 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.71 1ibk h ARG 191 CO 0.62 0.15 0.38 0.93 2.80 0.00 0.00 179.97 184.85 1ibk h GLU 192 N 0.24 0.70 0.00 0.20 3.07 -2.01 -1.94 114.58 114.84 1ibk h GLU 192 Ca 0.53 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.34 1ibk h GLU 192 Cb 1.05 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.80 1ibk h GLU 192 CO -0.62 0.47 -0.06 -0.44 -1.40 0.00 0.00 179.01 176.96 1ibk h ASP 193 N 0.72 0.00 -2.06 1.42 3.32 0.54 -3.43 116.42 116.93 1ibk h ASP 193 Ca 0.22 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.82 1ibk h ASP 193 Cb -0.02 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.55 1ibk h ASP 193 CO -0.05 0.06 -0.23 -0.76 -1.72 0.00 0.00 179.24 176.53 1ibk s LEU 194 N -8.19 3.77 -0.36 1.55 2.01 -0.73 -4.94 118.68 111.79 1ibk s LEU 194 Ca -0.04 -0.09 0.14 0.00 0.01 0.00 0.00 54.13 54.16 1ibk s LEU 194 Cb 0.15 -2.85 0.42 0.00 0.01 0.00 0.00 46.19 43.92 1ibk s LEU 194 CO 0.62 -0.63 0.90 0.00 1.01 0.00 0.00 176.35 178.25 1ibk n ALA 195 N -1.86 3.18 -2.29 4.21 0.00 -1.26 -4.98 120.51 117.51 1ibk n ALA 195 Ca 0.02 -3.39 -0.39 0.00 0.00 0.00 0.00 53.44 49.69 1ibk n ALA 195 Cb 0.58 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 19.08 1ibk n ALA 195 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ibk s LEU 196 N -2.96 4.52 0.00 0.00 1.43 -1.26 -4.90 118.68 115.51 1ibk s LEU 196 Ca 0.34 1.25 0.06 0.00 -1.03 0.00 0.00 54.13 54.75 1ibk s LEU 196 Cb 0.41 -2.89 0.33 0.00 0.03 0.00 0.00 46.19 44.07 1ibk s LEU 196 CO -0.02 0.27 0.73 -0.81 0.23 0.00 0.00 176.35 176.74 1ibk n PRO 197 N 1.76 0.36 -2.25 1.29 -0.04 -1.26 -4.70 135.00 130.16 1ibk n PRO 197 Ca -0.10 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.97 1ibk n PRO 197 Cb 0.51 -1.24 -0.02 0.00 -0.04 0.00 0.00 33.50 32.71 1ibk n PRO 197 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ibk s VAL 198 N -2.00 3.06 -0.76 0.52 1.01 -1.26 -4.98 120.40 115.99 1ibk s VAL 198 Ca 0.08 0.90 0.03 0.00 0.00 0.00 0.00 61.98 62.99 1ibk s VAL 198 Cb 0.04 -3.51 0.22 0.00 0.00 0.00 0.00 36.38 33.13 1ibk s VAL 198 CO 0.06 0.09 0.75 -3.20 0.00 0.00 0.00 175.10 172.80 1ibk n ASN 199 N 0.09 3.89 -0.33 3.32 2.85 -1.26 -4.96 115.26 118.87 1ibk n ASN 199 Ca 0.04 -3.31 0.27 0.00 -0.11 0.00 0.00 54.58 51.48 1ibk n ASN 199 Cb 0.46 -0.84 0.51 0.00 1.24 0.00 0.00 39.78 41.16 1ibk n ASN 199 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 1ibk h GLU 200 N 5.05 0.07 -0.90 1.20 9.09 -1.96 0.31 114.58 127.44 1ibk h GLU 200 Ca 0.18 -0.00 0.24 0.00 0.05 0.00 0.00 59.36 59.83 1ibk h GLU 200 Cb 0.72 -0.02 -0.16 0.00 -1.65 0.00 0.00 28.75 27.64 1ibk h GLU 200 CO 0.85 0.04 0.13 0.37 0.05 0.00 0.00 179.01 180.46 1ibk h GLN 201 N 0.07 0.10 0.72 1.06 4.15 -1.97 0.46 115.11 119.70 1ibk h GLN 201 Ca 0.78 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 60.16 1ibk h GLN 201 Cb 1.95 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 29.62 1ibk h GLN 201 CO -0.76 0.07 -0.35 -0.07 -1.93 0.00 0.00 178.83 175.80 1ibk h LEU 202 N 0.11 -0.82 -0.96 -2.39 3.38 -0.80 -2.07 115.31 111.76 1ibk h LEU 202 Ca 0.56 0.03 0.28 0.00 0.09 0.00 0.00 57.88 58.83 1ibk h LEU 202 Cb 1.14 0.21 -0.18 0.00 0.09 0.00 0.00 40.66 41.92 1ibk h LEU 202 CO -0.76 -0.54 0.10 0.58 0.09 0.00 0.00 178.44 177.91 1ibk h VAL 203 N -1.06 0.07 -0.53 1.22 2.07 -0.70 1.54 116.25 118.86 1ibk h VAL 203 Ca -0.10 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.45 1ibk h VAL 203 Cb 0.74 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1ibk h VAL 203 CO 0.16 0.01 0.28 0.40 0.02 0.00 0.00 177.57 178.44 1ibk h ILE 204 N 0.04 0.98 -0.73 4.57 2.04 0.00 -1.96 117.51 122.44 1ibk h ILE 204 Ca 0.61 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 66.23 1ibk h ILE 204 Cb 1.29 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 1ibk h ILE 204 CO -0.87 0.10 0.26 -0.33 0.00 0.00 0.00 178.15 177.32 1ibk h GLU 205 N 0.55 1.10 -0.78 2.37 5.08 0.27 -0.47 114.58 122.70 1ibk h GLU 205 Ca 0.23 -0.21 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1ibk h GLU 205 Cb 0.12 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 1ibk h GLU 205 CO -0.15 0.92 0.51 0.35 -1.00 0.00 0.00 179.01 179.64 1ibk h PHE 206 N 1.07 0.84 -0.00 4.33 3.57 0.35 0.21 116.94 127.31 1ibk h PHE 206 Ca 0.24 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1ibk h PHE 206 Cb 0.25 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.71 1ibk h PHE 206 CO 0.02 0.43 -0.56 0.66 -2.23 0.00 0.00 178.31 176.63 1ibk n TYR 207 N -4.49 0.00 0.39 0.41 0.53 -1.02 -3.66 117.16 109.32 1ibk n TYR 207 Ca 0.12 0.00 0.11 0.00 -1.02 0.00 0.00 57.90 57.11 1ibk n TYR 207 Cb 0.24 -0.20 0.47 0.00 -1.03 0.00 0.00 39.34 38.82 1ibk n TYR 207 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 1ibk n SER 208 N -1.43 0.56 -0.34 7.72 7.64 0.74 -5.11 113.62 123.40 1ibk n SER 208 Ca 0.06 0.65 0.15 0.00 1.01 0.00 0.00 58.87 60.73 1ibk n SER 208 Cb 0.34 -0.76 0.65 0.00 -1.01 0.00 0.00 64.21 63.42 1ibk n SER 208 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89