#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiy n LYS 2 N 0.00 2.52 0.00 0.03 4.76 -1.26 -4.90 118.16 119.31 3kiy n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3kiy n LYS 2 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3kiy n LYS 2 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3kiy n GLU 3 N 0.00 0.00 0.00 1.97 -0.58 -1.26 -4.41 120.64 116.36 3kiy n GLU 3 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3kiy n GLU 3 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3kiy n GLU 3 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kiy n GLY 4 N 0.00 0.00 2.58 0.62 0.00 -1.26 -5.08 105.19 102.06 3kiy n GLY 4 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3kiy n GLY 4 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kiy n ILE 5 N 0.00 0.26 -3.71 -0.61 -0.00 -1.26 -5.14 119.36 108.89 3kiy n ILE 5 Ca 0.00 -1.33 -0.13 0.00 -0.00 0.00 0.00 62.75 61.29 3kiy n ILE 5 Cb 0.00 1.03 -0.00 0.00 -0.00 0.00 0.00 39.64 40.67 3kiy n ILE 5 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 3kiy n HIS 6 N -1.23 -1.00 1.83 4.28 8.25 -1.26 -5.02 115.22 121.07 3kiy n HIS 6 Ca -0.13 -1.16 0.06 0.00 -0.26 0.00 0.00 57.72 56.23 3kiy n HIS 6 Cb 0.86 -0.22 0.32 0.00 1.12 0.00 0.00 29.99 32.06 3kiy n HIS 6 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3kiy n PRO 7 N -1.13 1.14 0.00 -0.41 -0.02 -1.26 -4.92 135.00 128.41 3kiy n PRO 7 Ca -0.01 -0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 3kiy n PRO 7 Cb 0.31 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 3kiy n PRO 7 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3kiy n LYS 8 N -0.47 0.00 -2.04 -0.52 4.81 -1.26 -4.57 118.16 114.11 3kiy n LYS 8 Ca 0.09 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.51 3kiy n LYS 8 Cb 0.09 -0.02 0.00 0.00 0.02 0.00 0.00 35.03 35.13 3kiy n LYS 8 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3kiy n LEU 9 N 0.00 -4.20 -4.67 3.14 -0.00 -1.24 -5.05 117.00 104.99 3kiy n LEU 9 Ca 0.00 0.15 -0.35 0.00 -0.00 0.00 0.00 56.01 55.81 3kiy n LEU 9 Cb 0.00 -1.92 -0.09 0.00 -0.00 0.00 0.00 43.42 41.40 3kiy n LEU 9 CO 0.00 -0.80 -0.24 -0.69 -0.00 0.00 0.00 177.39 175.66 3kiy s VAL 10 N -1.97 4.87 0.52 1.96 1.01 -1.01 -4.75 120.40 121.02 3kiy s VAL 10 Ca 0.07 -0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.85 3kiy s VAL 10 Cb -0.02 -3.18 -0.11 0.00 0.00 0.00 0.00 36.38 33.07 3kiy s VAL 10 CO 0.30 0.49 0.33 -0.81 0.00 0.00 0.00 175.10 175.41 3kiy n PRO 11 N 3.25 0.36 -3.76 2.72 -0.04 -1.26 -2.54 135.00 133.73 3kiy n PRO 11 Ca -0.17 0.14 -0.10 0.00 -0.04 0.00 0.00 63.50 63.33 3kiy n PRO 11 Cb 0.53 -1.45 -0.05 0.00 -0.04 0.00 0.00 33.50 32.49 3kiy n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kiy s ALA 12 N -1.76 -0.73 -0.09 0.55 0.00 0.17 -4.47 121.76 115.44 3kiy s ALA 12 Ca 0.64 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.29 3kiy s ALA 12 Cb -0.49 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 3kiy s ALA 12 CO 0.58 -0.73 -0.09 -0.98 0.00 0.00 0.00 175.76 174.54 3kiy s ARG 13 N -3.88 2.92 -0.84 0.00 3.03 -1.26 -1.88 118.95 117.05 3kiy s ARG 13 Ca 0.09 -0.61 -0.17 0.00 2.03 0.00 0.00 55.73 57.08 3kiy s ARG 13 Cb 0.01 -2.59 0.16 0.00 -1.03 0.00 0.00 34.95 31.50 3kiy s ARG 13 CO -0.04 0.52 0.93 0.42 -1.13 0.00 0.00 175.30 176.00 3kiy s ILE 14 N -0.43 5.06 -1.11 4.99 1.09 0.63 -3.18 121.20 128.24 3kiy s ILE 14 Ca 0.06 -1.79 -0.20 0.00 -1.10 0.00 0.00 60.65 57.62 3kiy s ILE 14 Cb -0.12 -4.62 -0.06 0.00 -1.06 0.00 0.00 42.46 36.60 3kiy s ILE 14 CO 0.02 -1.28 1.96 -0.38 -0.10 0.00 0.00 174.94 175.16 3kiy n ILE 15 N 4.96 2.56 -0.58 2.92 2.08 0.57 -1.38 119.36 130.49 3kiy n ILE 15 Ca 0.15 -2.44 -0.30 0.00 0.56 0.00 0.00 62.75 60.72 3kiy n ILE 15 Cb 0.47 -2.35 0.20 0.00 -0.75 0.00 0.00 39.64 37.22 3kiy n ILE 15 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kiy h GLY 17 N -2.39 0.07 -4.19 0.00 0.00 -1.56 -3.29 103.07 91.71 3kiy h GLY 17 Ca -0.53 -0.17 -0.46 0.00 0.00 0.00 0.00 47.33 46.17 3kiy h GLY 17 CO 0.38 0.15 0.43 0.00 0.00 0.00 0.00 176.54 177.50 3kiy n GLY 19 N 0.61 0.41 0.00 0.00 0.00 -1.24 -4.83 105.19 100.14 3kiy n GLY 19 Ca 0.44 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.67 3kiy n GLY 19 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kiy n ASN 20 N 1.34 0.00 -4.48 1.61 4.05 -1.26 -3.92 115.26 112.60 3kiy n ASN 20 Ca 0.00 0.00 -0.43 0.00 0.45 0.00 0.00 54.58 54.60 3kiy n ASN 20 Cb 0.00 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 40.94 3kiy n ASN 20 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3kiy s VAL 21 N 0.00 4.85 0.53 3.44 1.01 -1.26 -3.49 120.40 125.48 3kiy s VAL 21 Ca 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 61.98 61.65 3kiy s VAL 21 Cb 0.00 -4.25 -0.06 0.00 0.00 0.00 0.00 36.38 32.07 3kiy s VAL 21 CO 0.00 -0.70 0.96 -0.63 0.00 0.00 0.00 175.10 174.73 3kiy s ILE 22 N 2.74 4.64 -0.08 2.22 1.09 -0.48 -4.78 121.20 126.55 3kiy s ILE 22 Ca 0.19 0.98 -0.03 0.00 -1.10 0.00 0.00 60.65 60.69 3kiy s ILE 22 Cb -0.17 -3.77 0.04 0.00 -1.06 0.00 0.00 42.46 37.50 3kiy s ILE 22 CO 0.15 -0.81 0.17 -0.70 -0.10 0.00 0.00 174.94 173.65 3kiy s GLU 23 N -4.41 0.08 0.00 2.79 2.12 -1.26 0.23 118.70 118.24 3kiy s GLU 23 Ca 0.56 0.49 0.00 0.00 0.36 0.00 0.00 54.97 56.38 3kiy s GLU 23 Cb -0.10 -0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.08 3kiy s GLU 23 CO 0.39 -0.23 0.00 0.25 -0.54 0.00 0.00 175.26 175.12 3kiy n THR 24 N 4.77 0.00 -4.45 -1.70 -2.24 -0.79 -5.01 114.28 104.86 3kiy n THR 24 Ca -0.16 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.41 3kiy n THR 24 Cb 0.51 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.63 3kiy n THR 24 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3kiy s TYR 25 N 0.05 1.93 0.00 4.78 1.51 -1.26 0.43 117.35 124.78 3kiy s TYR 25 Ca 0.00 -1.00 0.00 0.00 -1.01 0.00 0.00 57.07 55.06 3kiy s TYR 25 Cb 0.00 -1.26 0.00 0.00 -0.11 0.00 0.00 41.96 40.59 3kiy s TYR 25 CO 0.00 -0.04 0.00 -1.13 -1.11 0.00 0.00 175.55 173.27 3kiy n SER 26 N -0.73 0.00 -3.15 2.29 3.41 -1.05 -4.73 113.62 109.66 3kiy n SER 26 Ca -0.03 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.64 3kiy n SER 26 Cb 0.66 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.60 3kiy n SER 26 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3kiy s THR 27 N 0.00 -0.20 0.00 6.66 -1.32 -1.23 -2.41 115.64 117.15 3kiy s THR 27 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 3kiy s THR 27 Cb 0.00 -0.98 0.00 0.00 -1.51 0.00 0.00 72.50 70.01 3kiy s THR 27 CO 0.00 0.00 0.00 1.17 -2.21 0.00 0.00 174.62 173.58 3kiy n LYS 28 N 5.48 0.00 -0.09 7.08 3.00 -1.26 -4.84 118.16 127.53 3kiy n LYS 28 Ca -0.08 0.49 0.00 0.00 -0.00 0.00 0.00 58.31 58.72 3kiy n LYS 28 Cb 0.54 -0.96 0.00 0.00 0.00 0.00 0.00 35.03 34.62 3kiy n LYS 28 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 3kiy n PRO 29 N 0.03 0.28 -2.79 1.64 -0.02 -1.26 -4.35 135.00 128.52 3kiy n PRO 29 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.16 3kiy n PRO 29 Cb 0.00 -1.36 -0.02 0.00 -0.02 0.00 0.00 33.50 32.10 3kiy n PRO 29 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3kiy n GLU 30 N 1.49 3.91 -3.15 -0.52 4.07 -1.26 -4.15 120.64 121.04 3kiy n GLU 30 Ca 0.00 -4.75 -0.43 0.00 -0.06 0.00 0.00 57.16 51.92 3kiy n GLU 30 Cb 0.14 -2.31 -0.07 0.00 -0.06 0.00 0.00 31.44 29.14 3kiy n GLU 30 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 3kiy s ILE 31 N -4.51 4.87 -0.89 6.31 1.09 -1.19 -4.98 121.20 121.90 3kiy s ILE 31 Ca 0.46 -0.21 0.00 0.00 -1.10 0.00 0.00 60.65 59.80 3kiy s ILE 31 Cb 0.26 -4.24 0.30 0.00 -1.06 0.00 0.00 42.46 37.73 3kiy s ILE 31 CO -0.15 -0.68 1.26 -1.22 -0.10 0.00 0.00 174.94 174.05 3kiy n TYR 32 N 6.17 2.93 -0.30 3.97 4.02 -1.25 0.21 117.16 132.92 3kiy n TYR 32 Ca -0.04 -3.20 -0.27 0.00 -0.01 0.00 0.00 57.90 54.38 3kiy n TYR 32 Cb 0.47 -0.95 0.26 0.00 -0.02 0.00 0.00 39.34 39.09 3kiy n TYR 32 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3kiy n VAL 33 N 0.79 0.00 -0.05 -0.72 0.31 -1.11 -4.80 118.33 112.75 3kiy n VAL 33 Ca 0.31 -0.01 -0.06 0.00 -0.01 0.00 0.00 64.34 64.56 3kiy n VAL 33 Cb 0.35 -0.86 -0.05 0.00 -0.91 0.00 0.00 33.84 32.36 3kiy n VAL 33 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kiy n GLU 34 N -4.78 0.96 -3.58 5.55 4.71 -1.26 -2.42 120.64 119.81 3kiy n GLU 34 Ca 0.12 0.04 -0.09 0.00 -0.01 0.00 0.00 57.16 57.22 3kiy n GLU 34 Cb 0.53 -1.21 -0.05 0.00 -1.01 0.00 0.00 31.44 29.70 3kiy n GLU 34 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3kiy s VAL 35 N -2.21 0.00 0.00 2.62 1.01 -1.26 -3.75 120.40 116.81 3kiy s VAL 35 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3kiy s VAL 35 Cb 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.41 3kiy s VAL 35 CO 0.27 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.37 3kiy n SER 37 N 0.00 5.45 -0.96 0.00 7.64 -1.26 -3.56 113.62 120.92 3kiy n SER 37 Ca 0.00 -2.96 -0.06 0.00 1.01 0.00 0.00 58.87 56.86 3kiy n SER 37 Cb 0.00 -1.54 -0.06 0.00 -1.01 0.00 0.00 64.21 61.60 3kiy n SER 37 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3kiy n LYS 38 N 4.35 0.00 -3.40 1.43 3.00 -1.26 -5.04 118.16 117.23 3kiy n LYS 38 Ca 0.51 -0.92 -0.22 0.00 -0.00 0.00 0.00 58.31 57.69 3kiy n LYS 38 Cb 0.34 0.47 -0.10 0.00 0.00 0.00 0.00 35.03 35.74 3kiy n LYS 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kiy n HIS 40 N 4.25 0.00 -1.58 0.00 8.25 -1.26 -4.99 115.22 119.90 3kiy n HIS 40 Ca 0.10 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.26 3kiy n HIS 40 Cb 0.42 0.00 0.21 0.00 1.12 0.00 0.00 29.99 31.74 3kiy n HIS 40 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3kiy s PRO 41 N -1.10 -0.21 0.13 -0.41 0.02 -1.26 -5.20 135.00 126.96 3kiy s PRO 41 Ca 0.00 -0.29 -0.14 0.00 0.02 0.00 0.00 61.00 60.59 3kiy s PRO 41 Cb 0.00 -1.74 0.05 0.00 0.02 0.00 0.00 34.50 32.83 3kiy s PRO 41 CO 0.00 -3.00 0.66 1.97 -0.33 0.00 0.00 177.00 176.30 3kiy n PHE 42 N -4.21 -1.14 -0.18 6.54 1.16 -1.26 -5.18 117.46 113.20 3kiy n PHE 42 Ca 0.15 -0.86 0.00 0.00 -1.87 0.00 0.00 57.45 54.87 3kiy n PHE 42 Cb 0.59 0.42 0.00 0.00 -1.61 0.00 0.00 39.48 38.88 3kiy n PHE 42 CO 0.00 0.00 0.00 2.48 -1.87 0.00 0.00 176.76 177.37 3kiy n TYR 43 N -0.46 -0.31 -0.59 2.97 4.11 -1.26 -4.95 117.16 116.66 3kiy n TYR 43 Ca -0.02 0.16 0.00 0.00 -0.00 0.00 0.00 57.90 58.05 3kiy n TYR 43 Cb 0.38 -0.33 0.00 0.00 -0.00 0.00 0.00 39.34 39.39 3kiy n TYR 43 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 3kiy n THR 44 N -0.82 0.00 -3.26 -3.48 -2.24 -1.26 -5.07 114.28 98.15 3kiy n THR 44 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3kiy n THR 44 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3kiy n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kiy n GLY 45 N -0.47 6.36 3.18 3.38 0.00 -1.26 -5.19 105.19 111.19 3kiy n GLY 45 Ca 0.00 -1.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.01 3kiy n GLY 45 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kiy s GLN 46 N 0.23 0.72 0.00 1.61 2.00 -1.26 -5.17 119.66 117.79 3kiy s GLN 46 Ca 0.00 -0.76 0.00 0.00 -2.00 0.00 0.00 55.36 52.60 3kiy s GLN 46 Cb 0.00 0.29 0.00 0.00 0.80 0.00 0.00 33.01 34.10 3kiy s GLN 46 CO 0.00 -0.21 0.00 1.04 -0.50 0.00 0.00 175.29 175.62 3kiy n GLN 47 N 0.45 0.00 -0.19 1.67 1.13 -1.26 -5.20 117.38 113.99 3kiy n GLN 47 Ca -0.18 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.88 3kiy n GLN 47 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.95 3kiy n GLN 47 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 3kiy n ARG 48 N 0.00 0.00 -0.89 -1.09 1.85 -1.26 -5.19 116.66 110.08 3kiy n ARG 48 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.87 3kiy n ARG 48 Cb 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.40 3kiy n ARG 48 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3kiy n PHE 49 N 3.66 -2.43 0.11 2.89 3.01 -1.26 -4.81 117.46 118.64 3kiy n PHE 49 Ca 0.00 1.32 -0.08 0.00 1.01 0.00 0.00 57.45 59.70 3kiy n PHE 49 Cb 0.00 -2.24 -0.04 0.00 -0.01 0.00 0.00 39.48 37.19 3kiy n PHE 49 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3kiy h VAL 50 N -0.08 0.00 0.00 -4.37 2.07 -2.06 -3.43 116.25 108.37 3kiy h VAL 50 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3kiy h VAL 50 Cb 0.60 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3kiy h VAL 50 CO 0.01 0.00 0.00 -0.90 0.02 0.00 0.00 177.57 176.70 3kiy n ASP 51 N -3.72 0.00 -4.49 0.57 3.85 -1.26 -4.78 116.55 106.72 3kiy n ASP 51 Ca -0.05 0.00 -0.43 0.00 -0.71 0.00 0.00 54.79 53.60 3kiy n ASP 51 Cb 0.20 -0.06 -0.03 0.00 -1.35 0.00 0.00 41.12 39.88 3kiy n ASP 51 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3kiy s THR 52 N 0.00 4.37 -0.28 2.12 -4.23 -1.26 -4.91 115.64 111.44 3kiy s THR 52 Ca 0.00 -1.03 -0.16 0.00 -1.18 0.00 0.00 61.69 59.32 3kiy s THR 52 Cb 0.00 -4.85 0.11 0.00 1.34 0.00 0.00 72.50 69.10 3kiy s THR 52 CO 0.00 -1.65 0.84 -0.70 -0.54 0.00 0.00 174.62 172.58 3kiy s GLU 53 N 3.75 0.54 0.22 3.99 -6.30 -1.26 -5.04 118.70 114.61 3kiy s GLU 53 Ca 0.35 0.93 0.13 0.00 -2.50 0.00 0.00 54.97 53.87 3kiy s GLU 53 Cb -0.06 0.11 -0.02 0.00 0.00 0.00 0.00 34.13 34.16 3kiy s GLU 53 CO -0.05 -0.11 1.37 0.78 0.02 0.00 0.00 175.26 177.27 3kiy h GLY 54 N 6.48 0.00 -5.53 -1.50 0.00 -2.04 -3.34 103.07 97.15 3kiy h GLY 54 Ca -0.29 0.00 -0.75 0.00 0.00 0.00 0.00 47.33 46.29 3kiy h GLY 54 CO 0.18 0.00 1.16 -0.96 0.00 0.00 0.00 176.54 176.92 3kiy n ARG 55 N -3.25 4.04 0.00 4.80 -4.01 -1.26 -4.62 116.66 112.36 3kiy n ARG 55 Ca 0.01 -3.82 0.14 0.00 -1.04 0.00 0.00 57.85 53.14 3kiy n ARG 55 Cb 0.80 -2.38 0.69 0.00 -3.04 0.00 0.00 32.46 28.52 3kiy n ARG 55 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 3kiy n VAL 56 N 0.15 0.07 -0.39 8.89 0.31 -1.25 -5.24 118.33 120.87 3kiy n VAL 56 Ca 0.52 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.87 3kiy n VAL 56 Cb 0.29 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 3kiy n VAL 56 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72