#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qke s ILE 2 N 0.00 1.90 0.15 5.15 1.01 -1.26 -1.00 121.20 127.15 1qke s ILE 2 Ca 0.00 -0.96 0.06 0.00 0.00 0.00 0.00 60.65 59.75 1qke s ILE 2 Cb 0.00 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 1qke s ILE 2 CO 0.00 0.53 -0.12 0.00 0.00 0.00 0.00 174.94 175.35 1qke s PHE 4 N -2.90 2.96 0.00 0.00 0.08 -1.26 -0.47 117.98 116.38 1qke s PHE 4 Ca 0.16 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.72 1qke s PHE 4 Cb -0.00 -3.03 0.00 0.00 -0.57 0.00 0.00 43.02 39.42 1qke s PHE 4 CO 0.03 -1.15 0.70 0.27 -0.10 0.00 0.00 175.22 174.97 1qke n ASN 5 N -1.97 0.00 -4.88 1.36 6.94 -0.48 -2.83 115.26 113.40 1qke n ASN 5 Ca 0.09 -1.40 -0.30 0.00 -0.02 0.00 0.00 54.58 52.95 1qke n ASN 5 Cb 0.53 -0.08 -0.02 0.00 -2.36 0.00 0.00 39.78 37.85 1qke n ASN 5 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 1qke s HIS 6 N 0.00 3.51 0.02 -2.53 -3.43 -1.25 -4.56 115.29 107.05 1qke s HIS 6 Ca 0.00 1.10 -0.18 0.00 -0.80 0.00 0.00 55.06 55.18 1qke s HIS 6 Cb 0.00 -2.51 -0.06 0.00 -1.43 0.00 0.00 32.58 28.58 1qke s HIS 6 CO 0.00 -0.27 0.50 -1.14 -2.00 0.00 0.00 174.74 171.82 1qke s GLN 7 N -4.29 4.12 1.76 -0.38 0.74 -1.26 -3.87 119.66 116.47 1qke s GLN 7 Ca 0.52 0.58 0.00 0.00 0.05 0.00 0.00 55.36 56.51 1qke s GLN 7 Cb -0.10 -3.26 0.00 0.00 1.10 0.00 0.00 33.01 30.75 1qke s GLN 7 CO 0.38 0.59 0.00 0.43 -0.55 0.00 0.00 175.29 176.14 1qke n SER 8 N 2.04 0.00 -1.45 6.67 7.64 0.04 -2.06 113.62 126.50 1qke n SER 8 Ca -0.11 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.86 1qke n SER 8 Cb 0.51 0.00 0.33 0.00 -1.01 0.00 0.00 64.21 64.05 1qke n SER 8 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1qke n SER 9 N 2.86 4.46 -4.69 6.43 3.41 -1.26 -4.98 113.62 119.85 1qke n SER 9 Ca 0.00 -2.35 -0.29 0.00 -0.26 0.00 0.00 58.87 55.96 1qke n SER 9 Cb 0.00 -0.54 0.16 0.00 -0.26 0.00 0.00 64.21 63.57 1qke n SER 9 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1qke s GLN 10 N -1.67 0.89 0.32 4.33 -0.21 -0.88 -4.93 119.66 117.51 1qke s GLN 10 Ca 0.49 0.74 -0.29 0.00 0.02 0.00 0.00 55.36 56.31 1qke s GLN 10 Cb 0.30 -1.77 -0.12 0.00 1.00 0.00 0.00 33.01 32.42 1qke s GLN 10 CO 0.25 -2.47 1.39 -2.30 -2.12 0.00 0.00 175.29 170.03 1qke n PRO 11 N -4.03 2.27 -1.77 2.91 -0.02 -1.26 -4.86 135.00 128.24 1qke n PRO 11 Ca 0.06 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 61.93 1qke n PRO 11 Cb 0.56 -2.45 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 1qke n PRO 11 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1qke s GLN 12 N -1.41 4.12 0.06 -0.52 -0.21 -1.26 -4.80 119.66 115.63 1qke s GLN 12 Ca 0.59 2.59 0.01 0.00 0.02 0.00 0.00 55.36 58.57 1qke s GLN 12 Cb -0.56 -3.02 -0.03 0.00 1.00 0.00 0.00 33.01 30.40 1qke s GLN 12 CO 0.58 -0.64 -0.06 0.95 -2.12 0.00 0.00 175.29 174.00 1qke s THR 13 N 0.03 0.44 0.23 -0.19 -4.23 -1.26 -5.00 115.64 105.65 1qke s THR 13 Ca 0.64 -1.46 0.05 0.00 -1.18 0.00 0.00 61.69 59.74 1qke s THR 13 Cb -0.48 -1.05 -0.05 0.00 1.34 0.00 0.00 72.50 72.26 1qke s THR 13 CO 0.48 -0.68 -0.04 0.42 -0.54 0.00 0.00 174.62 174.26 1qke s THR 14 N -2.59 1.22 -0.00 3.99 -4.23 -1.26 -1.38 115.64 111.38 1qke s THR 14 Ca -0.01 -2.07 -0.01 0.00 -1.18 0.00 0.00 61.69 58.43 1qke s THR 14 Cb -0.02 -2.27 -0.00 0.00 1.34 0.00 0.00 72.50 71.55 1qke s THR 14 CO -0.04 -0.40 0.01 -0.75 -0.54 0.00 0.00 174.62 172.90 1qke s LYS 15 N -3.80 0.05 -0.21 3.99 2.20 0.38 -4.78 119.74 117.57 1qke s LYS 15 Ca 0.26 -0.04 -0.17 0.00 -0.36 0.00 0.00 55.97 55.66 1qke s LYS 15 Cb 0.04 0.02 -0.03 0.00 -1.51 0.00 0.00 37.83 36.35 1qke s LYS 15 CO 0.08 -0.01 0.48 0.99 -0.36 0.00 0.00 175.35 176.53 1qke s THR 16 N -0.13 5.13 0.95 3.43 2.01 -1.26 -1.03 115.64 124.73 1qke s THR 16 Ca -0.02 0.86 -0.15 0.00 0.31 0.00 0.00 61.69 62.70 1qke s THR 16 Cb -0.01 -3.80 0.17 0.00 0.01 0.00 0.00 72.50 68.86 1qke s THR 16 CO -0.00 0.19 1.21 0.00 -0.69 0.00 0.00 174.62 175.33 1qke s SER 18 N -4.46 4.96 0.36 0.00 0.01 -1.26 -4.76 113.70 108.55 1qke s SER 18 Ca 0.68 2.01 -0.29 0.00 1.31 0.00 0.00 55.95 59.67 1qke s SER 18 Cb -0.09 -2.55 -0.11 0.00 0.21 0.00 0.00 66.02 63.48 1qke s SER 18 CO 0.53 -1.73 1.53 -2.65 0.41 0.00 0.00 173.24 171.32 1qke n PRO 19 N -2.56 2.71 0.00 12.44 -0.02 -1.26 -1.47 135.00 144.84 1qke n PRO 19 Ca 0.10 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 1qke n PRO 19 Cb 0.52 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1qke n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qke n GLY 20 N 0.92 2.37 3.67 -1.23 0.00 -1.26 -4.99 105.19 104.67 1qke n GLY 20 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1qke n GLY 20 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qke s GLU 21 N -0.37 4.30 0.00 1.61 2.56 -0.54 -4.88 118.70 121.38 1qke s GLU 21 Ca 0.00 1.53 0.15 0.00 0.00 0.00 0.00 54.97 56.65 1qke s GLU 21 Cb 0.00 -3.64 -0.03 0.00 2.00 0.00 0.00 34.13 32.46 1qke s GLU 21 CO 0.00 -0.55 0.79 -1.13 -0.56 0.00 0.00 175.26 173.81 1qke n SER 22 N 5.89 1.41 -4.77 -1.70 3.41 -1.26 -4.35 113.62 112.26 1qke n SER 22 Ca 0.12 -1.21 -0.23 0.00 -0.26 0.00 0.00 58.87 57.30 1qke n SER 22 Cb 0.46 0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 64.93 1qke n SER 22 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1qke s SER 23 N -1.94 5.21 0.20 4.04 0.15 -1.26 -4.30 113.70 115.81 1qke s SER 23 Ca 0.11 -0.36 0.07 0.00 0.70 0.00 0.00 55.95 56.47 1qke s SER 23 Cb 0.12 -1.23 -0.05 0.00 -1.71 0.00 0.00 66.02 63.15 1qke s SER 23 CO 0.43 -0.02 -0.13 0.00 1.20 0.00 0.00 173.24 174.72 1qke s TYR 25 N -3.03 0.48 -0.09 0.00 -0.85 -0.22 -1.58 117.35 112.06 1qke s TYR 25 Ca 0.22 -1.01 -0.01 0.00 -0.52 0.00 0.00 57.07 55.75 1qke s TYR 25 Cb 0.00 -0.35 0.03 0.00 0.38 0.00 0.00 41.96 42.02 1qke s TYR 25 CO 0.06 -0.41 -0.04 1.21 -1.52 0.00 0.00 175.55 174.86 1qke s ASN 26 N -2.92 1.85 -0.06 -0.18 3.84 -0.14 -2.29 114.94 115.04 1qke s ASN 26 Ca 0.07 -0.19 0.06 0.00 0.21 0.00 0.00 52.86 53.02 1qke s ASN 26 Cb 0.08 -0.63 -0.01 0.00 -0.55 0.00 0.00 41.25 40.14 1qke s ASN 26 CO -0.10 -0.16 -0.25 -0.54 -2.79 0.00 0.00 177.10 173.27 1qke s LYS 27 N 1.83 2.56 -0.00 0.43 1.02 0.10 -0.84 119.74 124.83 1qke s LYS 27 Ca 0.05 -0.90 0.01 0.00 0.02 0.00 0.00 55.97 55.14 1qke s LYS 27 Cb -0.12 -2.17 -0.00 0.00 -0.52 0.00 0.00 37.83 35.01 1qke s LYS 27 CO -0.06 0.39 -0.02 -1.14 -0.92 0.00 0.00 175.35 173.59 1qke s GLN 28 N -0.17 0.17 0.25 1.68 0.74 0.68 -0.54 119.66 122.47 1qke s GLN 28 Ca -0.03 -0.08 -0.18 0.00 0.05 0.00 0.00 55.36 55.11 1qke s GLN 28 Cb -0.14 -0.16 0.02 0.00 1.10 0.00 0.00 33.01 33.83 1qke s GLN 28 CO 0.04 0.04 0.61 1.67 -0.55 0.00 0.00 175.29 177.10 1qke s TRP 29 N -0.07 -0.04 0.08 1.67 -2.14 -0.54 -1.25 118.94 116.65 1qke s TRP 29 Ca 0.01 -0.36 0.07 0.00 2.66 0.00 0.00 56.10 58.48 1qke s TRP 29 Cb -0.01 0.51 -0.04 0.00 -3.10 0.00 0.00 33.47 30.83 1qke s TRP 29 CO -0.00 -1.10 -0.12 -1.12 -2.66 0.00 0.00 176.95 171.95 1qke s SER 30 N -2.93 4.24 0.09 -2.66 0.01 -1.26 -0.40 113.70 110.78 1qke s SER 30 Ca 0.13 -0.39 0.02 0.00 1.31 0.00 0.00 55.95 57.02 1qke s SER 30 Cb -0.03 -0.78 -0.01 0.00 0.21 0.00 0.00 66.02 65.41 1qke s SER 30 CO 0.05 0.21 0.06 -0.90 0.41 0.00 0.00 173.24 173.07 1qke n ASP 31 N 0.98 0.07 0.15 2.44 5.68 -0.29 -4.98 116.55 120.60 1qke n ASP 31 Ca -0.14 -1.56 0.11 0.00 -0.50 0.00 0.00 54.79 52.70 1qke n ASP 31 Cb 0.52 0.39 0.55 0.00 -1.14 0.00 0.00 41.12 41.44 1qke n ASP 31 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 1qke n PHE 32 N -0.18 0.77 -0.00 2.11 -1.74 -1.26 -2.32 117.46 114.84 1qke n PHE 32 Ca 0.01 0.36 0.10 0.00 -0.56 0.00 0.00 57.45 57.36 1qke n PHE 32 Cb 0.16 -1.07 -0.16 0.00 1.52 0.00 0.00 39.48 39.93 1qke n PHE 32 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1qke n ARG 33 N -2.26 0.66 -2.96 3.97 1.74 -1.26 -5.09 116.66 111.47 1qke n ARG 33 Ca 0.00 -0.16 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 1qke n ARG 33 Cb 0.12 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 1qke n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qke n GLY 34 N 1.27 -0.20 3.69 -0.13 0.00 -0.98 -5.09 105.19 103.75 1qke n GLY 34 Ca -0.05 -1.33 -0.37 0.00 0.00 0.00 0.00 46.02 44.27 1qke n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qke s THR 35 N -2.96 5.30 -0.05 2.61 2.01 -1.26 -1.13 115.64 120.15 1qke s THR 35 Ca 0.00 0.45 0.04 0.00 0.31 0.00 0.00 61.69 62.49 1qke s THR 35 Cb 0.00 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 1qke s THR 35 CO 0.00 0.34 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.48 1qke s ILE 36 N 0.91 2.95 -0.16 1.82 1.01 0.46 -4.98 121.20 123.21 1qke s ILE 36 Ca 0.14 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1qke s ILE 36 Cb -0.13 -2.15 0.03 0.00 0.01 0.00 0.00 42.46 40.22 1qke s ILE 36 CO 0.05 0.59 -0.12 -0.63 0.00 0.00 0.00 174.94 174.82 1qke s ILE 37 N -0.64 1.54 -0.04 2.92 1.01 -1.26 -1.46 121.20 123.27 1qke s ILE 37 Ca 0.10 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 60.05 1qke s ILE 37 Cb -0.11 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 1qke s ILE 37 CO 0.01 0.37 -0.04 -1.61 0.00 0.00 0.00 174.94 173.66 1qke s GLU 38 N 1.48 2.75 0.06 2.79 2.02 0.30 -0.78 118.70 127.32 1qke s GLU 38 Ca 0.03 -0.58 0.05 0.00 0.02 0.00 0.00 54.97 54.49 1qke s GLU 38 Cb -0.14 -2.62 -0.03 0.00 0.10 0.00 0.00 34.13 31.45 1qke s GLU 38 CO -0.10 0.65 -0.14 1.03 0.02 0.00 0.00 175.26 176.72 1qke s ARG 39 N -1.11 0.82 0.00 1.61 0.52 -1.25 -0.72 118.95 118.81 1qke s ARG 39 Ca 0.15 -0.90 -0.02 0.00 -0.52 0.00 0.00 55.73 54.44 1qke s ARG 39 Cb -0.11 -0.81 0.01 0.00 0.52 0.00 0.00 34.95 34.56 1qke s ARG 39 CO 0.05 0.18 0.09 0.41 0.02 0.00 0.00 175.30 176.05 1qke n GLY 40 N 1.43 0.70 3.85 -3.53 0.00 -0.97 -4.31 105.19 102.35 1qke n GLY 40 Ca -0.21 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 1qke n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qke n GLY 42 N -0.02 -2.98 2.44 0.00 0.00 0.22 -4.76 105.19 100.09 1qke n GLY 42 Ca 0.01 -1.90 -0.28 0.00 0.00 0.00 0.00 46.02 43.84 1qke n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qke s PRO 44 N 0.72 -0.03 0.44 0.00 0.04 -1.26 -4.98 135.00 129.93 1qke s PRO 44 Ca 0.23 0.83 -0.23 0.00 0.04 0.00 0.00 61.00 61.87 1qke s PRO 44 Cb -0.14 -1.66 -0.08 0.00 0.04 0.00 0.00 34.50 32.66 1qke s PRO 44 CO -0.06 -3.12 1.10 0.99 0.04 0.00 0.00 177.00 175.94 1qke s THR 45 N -2.69 3.46 -0.02 1.26 2.01 -1.26 -4.97 115.64 113.43 1qke s THR 45 Ca 0.67 1.07 -0.30 0.00 0.31 0.00 0.00 61.69 63.43 1qke s THR 45 Cb -0.22 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 1qke s THR 45 CO 0.61 -0.04 1.45 0.68 -0.69 0.00 0.00 174.62 176.63 1qke s VAL 46 N -1.66 3.69 -0.08 3.82 -7.23 -1.26 -5.02 120.40 112.67 1qke s VAL 46 Ca 0.62 1.03 -0.03 0.00 -1.81 0.00 0.00 61.98 61.79 1qke s VAL 46 Cb -0.24 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.00 1qke s VAL 46 CO 0.29 -0.02 0.05 -0.54 -0.31 0.00 0.00 175.10 174.57 1qke s LYS 47 N 2.77 3.11 0.34 4.82 1.02 -1.26 -5.07 119.74 125.47 1qke s LYS 47 Ca 0.65 -0.35 -0.29 0.00 0.02 0.00 0.00 55.97 56.00 1qke s LYS 47 Cb -0.31 -2.91 -0.11 0.00 -0.52 0.00 0.00 37.83 33.98 1qke s LYS 47 CO 0.26 0.71 1.56 -2.30 -0.92 0.00 0.00 175.35 174.66 1qke n PRO 48 N 1.91 2.73 -0.20 -1.68 -0.02 -1.26 -2.00 135.00 134.48 1qke n PRO 48 Ca -0.18 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1qke n PRO 48 Cb 0.54 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1qke n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qke n GLY 49 N 1.30 2.14 3.71 -1.23 0.00 -1.26 -5.02 105.19 104.84 1qke n GLY 49 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1qke n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qke s ILE 50 N -3.04 4.91 -0.06 -0.61 1.01 -0.85 -4.84 121.20 117.72 1qke s ILE 50 Ca 0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 60.65 60.44 1qke s ILE 50 Cb 0.00 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 1qke s ILE 50 CO 0.00 0.53 0.61 -0.54 0.00 0.00 0.00 174.94 175.55 1qke s LYS 51 N -0.26 4.38 -0.01 2.79 1.02 -0.38 -4.70 119.74 122.59 1qke s LYS 51 Ca 0.09 0.73 0.03 0.00 0.02 0.00 0.00 55.97 56.83 1qke s LYS 51 Cb -0.12 -3.42 -0.01 0.00 -0.52 0.00 0.00 37.83 33.77 1qke s LYS 51 CO 0.01 0.17 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.35 1qke s LEU 52 N 0.49 2.02 -0.04 3.17 2.96 -1.26 -0.23 118.68 125.80 1qke s LEU 52 Ca 0.33 -0.18 -0.00 0.00 -0.22 0.00 0.00 54.13 54.05 1qke s LEU 52 Cb -0.17 -0.49 0.03 0.00 0.50 0.00 0.00 46.19 46.06 1qke s LEU 52 CO 0.16 0.11 0.01 -0.55 -1.32 0.00 0.00 176.35 174.76 1qke s SER 53 N -0.26 0.72 0.08 3.68 0.15 -0.02 -5.01 113.70 113.04 1qke s SER 53 Ca 0.03 -0.02 0.07 0.00 0.70 0.00 0.00 55.95 56.74 1qke s SER 53 Cb -0.04 -0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 64.00 1qke s SER 53 CO -0.00 -0.14 -0.14 0.00 1.20 0.00 0.00 173.24 174.15 1qke n GLU 56 N 0.17 2.21 -3.96 0.00 1.02 -1.26 -1.20 120.64 117.61 1qke n GLU 56 Ca -0.15 -4.13 -0.10 0.00 -0.02 0.00 0.00 57.16 52.77 1qke n GLU 56 Cb 0.61 -1.95 -0.07 0.00 -0.02 0.00 0.00 31.44 30.00 1qke n GLU 56 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1qke s SER 57 N -3.05 0.04 0.28 1.62 1.04 -1.26 -4.96 113.70 107.42 1qke s SER 57 Ca 0.44 -0.86 -0.30 0.00 0.48 0.00 0.00 55.95 55.70 1qke s SER 57 Cb 0.33 0.43 -0.12 0.00 0.10 0.00 0.00 66.02 66.77 1qke s SER 57 CO -0.11 -0.89 1.59 -0.62 0.98 0.00 0.00 173.24 174.20 1qke n GLU 58 N -0.21 2.66 -3.91 4.02 -0.58 -1.26 -2.80 120.64 118.55 1qke n GLU 58 Ca -0.08 0.95 -0.24 0.00 -0.42 0.00 0.00 57.16 57.37 1qke n GLU 58 Cb 0.63 -2.72 -0.08 0.00 -0.57 0.00 0.00 31.44 28.70 1qke n GLU 58 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1qke n VAL 59 N 2.23 -0.78 0.86 2.62 0.24 -0.45 -4.80 118.33 118.25 1qke n VAL 59 Ca 0.09 -0.39 0.12 0.00 -2.04 0.00 0.00 64.34 62.13 1qke n VAL 59 Cb 0.36 -0.78 0.30 0.00 -1.47 0.00 0.00 33.84 32.25 1qke n VAL 59 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qke n ASN 61 N -1.70 5.81 0.00 0.00 6.94 -1.26 -4.97 115.26 120.08 1qke n ASN 61 Ca 0.05 -3.38 0.12 0.00 -0.02 0.00 0.00 54.58 51.35 1qke n ASN 61 Cb 0.37 -0.92 0.72 0.00 -2.36 0.00 0.00 39.78 37.59 1qke n ASN 61 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77