#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnd n GLY 9 N 0.00 -0.36 3.76 2.89 0.00 -1.26 -5.08 105.19 105.14 1bnd n GLY 9 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1bnd n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bnd s GLU 10 N -0.29 4.71 -0.00 1.61 2.02 -1.26 -5.07 118.70 120.42 1bnd s GLU 10 Ca 0.00 1.48 -0.01 0.00 0.02 0.00 0.00 54.97 56.46 1bnd s GLU 10 Cb 0.00 -3.08 -0.00 0.00 0.10 0.00 0.00 34.13 31.15 1bnd s GLU 10 CO 0.00 0.37 0.02 0.08 0.02 0.00 0.00 175.26 175.75 1bnd s VAL 11 N -1.34 0.03 0.10 2.63 1.01 -1.26 -5.16 120.40 116.41 1bnd s VAL 11 Ca 0.45 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 1bnd s VAL 11 Cb -0.24 -0.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 1bnd s VAL 11 CO 0.30 -0.14 0.33 -0.44 0.00 0.00 0.00 175.10 175.15 1bnd s SER 12 N -0.41 6.47 0.52 3.32 0.01 -1.26 -4.98 113.70 117.38 1bnd s SER 12 Ca -0.05 0.53 0.25 0.00 1.31 0.00 0.00 55.95 58.00 1bnd s SER 12 Cb -0.03 -2.07 1.45 0.00 0.21 0.00 0.00 66.02 65.58 1bnd s SER 12 CO -0.00 0.11 2.10 -0.37 0.41 0.00 0.00 173.24 175.49 1bnd h VAL 13 N 2.24 0.67 -3.39 3.43 -1.51 -1.99 -3.43 116.25 112.28 1bnd h VAL 13 Ca -0.46 -0.42 -0.17 0.00 -1.23 0.00 0.00 66.70 64.42 1bnd h VAL 13 Cb 1.17 1.26 -0.24 0.00 -2.13 0.00 0.00 31.29 31.35 1bnd h VAL 13 CO 0.72 0.10 -0.50 0.00 -1.23 0.00 0.00 177.57 176.66 1bnd s ASP 15 N -0.53 6.32 0.18 0.00 1.01 -1.26 -5.00 116.67 117.39 1bnd s ASP 15 Ca -0.06 0.30 -0.12 0.00 0.71 0.00 0.00 52.55 53.38 1bnd s ASP 15 Cb -0.04 -1.97 0.00 0.00 1.01 0.00 0.00 42.92 41.93 1bnd s ASP 15 CO 0.01 -0.18 0.37 -0.94 0.21 0.00 0.00 175.17 174.64 1bnd s SER 16 N -3.89 -0.06 -0.01 0.27 1.04 -1.26 -2.31 113.70 107.48 1bnd s SER 16 Ca 0.38 -0.76 0.04 0.00 0.48 0.00 0.00 55.95 56.08 1bnd s SER 16 Cb -0.10 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 1bnd s SER 16 CO 0.32 -0.96 -0.12 -1.83 0.98 0.00 0.00 173.24 171.63 1bnd s GLU 17 N -3.94 1.00 0.04 4.02 -1.05 -0.92 -4.84 118.70 113.00 1bnd s GLU 17 Ca 0.15 -0.45 0.04 0.00 -0.15 0.00 0.00 54.97 54.56 1bnd s GLU 17 Cb 0.02 -0.97 -0.04 0.00 -0.44 0.00 0.00 34.13 32.71 1bnd s GLU 17 CO -0.00 0.26 -0.04 -1.12 0.95 0.00 0.00 175.26 175.31 1bnd s SER 18 N -0.31 4.79 0.11 0.83 0.01 -1.26 -2.04 113.70 115.83 1bnd s SER 18 Ca 0.05 -0.16 -0.21 0.00 1.31 0.00 0.00 55.95 56.94 1bnd s SER 18 Cb -0.05 -1.13 0.05 0.00 0.21 0.00 0.00 66.02 65.11 1bnd s SER 18 CO -0.00 0.24 0.52 -1.48 0.41 0.00 0.00 173.24 172.93 1bnd s LEU 19 N -1.75 -0.13 -0.23 2.44 2.34 -0.47 -4.99 118.68 115.89 1bnd s LEU 19 Ca 0.20 -0.02 -0.16 0.00 0.06 0.00 0.00 54.13 54.22 1bnd s LEU 19 Cb -0.11 2.23 -0.04 0.00 -0.56 0.00 0.00 46.19 47.71 1bnd s LEU 19 CO 0.11 -0.85 0.40 0.26 -1.06 0.00 0.00 176.35 175.22 1bnd s TRP 20 N -3.29 3.31 -0.39 3.48 0.52 -1.26 -0.84 118.94 120.47 1bnd s TRP 20 Ca -0.01 0.54 -0.14 0.00 0.02 0.00 0.00 56.10 56.51 1bnd s TRP 20 Cb -0.00 -2.56 0.01 0.00 -1.15 0.00 0.00 33.47 29.77 1bnd s TRP 20 CO -0.09 -0.12 0.29 0.08 0.02 0.00 0.00 176.95 177.13 1bnd s VAL 21 N 1.70 5.27 -0.83 4.03 1.01 0.28 -4.97 120.40 126.89 1bnd s VAL 21 Ca 0.18 -0.54 0.17 0.00 0.00 0.00 0.00 61.98 61.79 1bnd s VAL 21 Cb -0.15 -3.87 -0.19 0.00 0.00 0.00 0.00 36.38 32.16 1bnd s VAL 21 CO 0.09 -0.23 0.75 0.35 0.00 0.00 0.00 175.10 176.05 1bnd n THR 22 N 5.15 0.00 -2.33 3.92 -2.24 -1.26 -2.12 114.28 115.39 1bnd n THR 22 Ca -0.11 -0.09 -0.18 0.00 -2.27 0.00 0.00 64.05 61.40 1bnd n THR 22 Cb 0.48 0.99 0.02 0.00 -2.10 0.00 0.00 70.33 69.73 1bnd n THR 22 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bnd n ASP 23 N -1.42 3.85 -4.72 3.42 5.75 -1.26 -4.87 116.55 117.30 1bnd n ASP 23 Ca 0.03 -3.26 -0.42 0.00 -0.01 0.00 0.00 54.79 51.13 1bnd n ASP 23 Cb 0.28 -0.41 -0.03 0.00 -1.03 0.00 0.00 41.12 39.93 1bnd n ASP 23 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1bnd s LYS 24 N -3.60 4.53 0.00 0.11 2.20 -1.26 -4.90 119.74 116.81 1bnd s LYS 24 Ca 0.43 1.63 0.00 0.00 -0.36 0.00 0.00 55.97 57.67 1bnd s LYS 24 Cb 0.39 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 33.35 1bnd s LYS 24 CO -0.02 -0.08 0.17 -1.13 -0.36 0.00 0.00 175.35 173.93 1bnd n SER 25 N 3.47 0.33 -3.78 1.43 3.41 -1.26 -4.62 113.62 112.60 1bnd n SER 25 Ca 0.06 -0.84 -0.13 0.00 -0.26 0.00 0.00 58.87 57.70 1bnd n SER 25 Cb 0.48 0.08 -0.09 0.00 -0.26 0.00 0.00 64.21 64.42 1bnd n SER 25 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1bnd s SER 26 N -0.08 -0.16 0.19 4.04 0.15 -1.26 -1.71 113.70 114.87 1bnd s SER 26 Ca 0.00 0.06 -0.24 0.00 0.70 0.00 0.00 55.95 56.47 1bnd s SER 26 Cb 0.00 0.31 0.05 0.00 -1.71 0.00 0.00 66.02 64.67 1bnd s SER 26 CO 0.00 -0.42 0.90 0.00 1.20 0.00 0.00 173.24 174.93 1bnd s ALA 27 N -1.26 -1.54 -0.19 5.45 0.00 -0.57 -4.80 121.76 118.85 1bnd s ALA 27 Ca -0.13 -0.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.79 1bnd s ALA 27 Cb -0.05 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 1bnd s ALA 27 CO 0.04 -1.04 -0.02 0.42 0.00 0.00 0.00 175.76 175.15 1bnd s ILE 28 N -3.40 3.83 0.80 0.00 -1.09 -1.26 -1.72 121.20 118.37 1bnd s ILE 28 Ca 0.12 -0.36 -0.07 0.00 -2.23 0.00 0.00 60.65 58.11 1bnd s ILE 28 Cb -0.03 -2.71 0.17 0.00 -1.58 0.00 0.00 42.46 38.32 1bnd s ILE 28 CO 0.04 0.45 1.10 -0.90 -1.23 0.00 0.00 174.94 174.39 1bnd n ASP 29 N 4.05 0.73 0.26 3.58 5.68 -0.31 -0.85 116.55 129.68 1bnd n ASP 29 Ca -0.17 -1.79 0.17 0.00 -0.50 0.00 0.00 54.79 52.50 1bnd n ASP 29 Cb 0.52 -0.78 0.82 0.00 -1.14 0.00 0.00 41.12 40.54 1bnd n ASP 29 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1bnd h ILE 30 N -1.13 0.00 0.00 2.12 2.10 -1.36 -1.59 117.51 117.65 1bnd h ILE 30 Ca -0.36 -0.21 -0.05 0.00 1.08 0.00 0.00 64.86 65.32 1bnd h ILE 30 Cb 1.14 1.08 -0.01 0.00 -1.09 0.00 0.00 36.82 37.95 1bnd h ILE 30 CO 0.31 0.00 -1.12 0.54 -1.08 0.00 0.00 178.15 176.81 1bnd n ARG 31 N -2.82 0.61 0.00 2.19 1.74 -1.26 -4.96 116.66 112.16 1bnd n ARG 31 Ca -0.01 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1bnd n ARG 31 Cb 0.17 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 1bnd n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bnd n GLY 32 N 1.24 1.21 3.95 -0.13 0.00 -0.60 -5.09 105.19 105.77 1bnd n GLY 32 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 1bnd n GLY 32 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bnd s HIS 33 N -2.00 3.47 -0.22 1.61 3.76 -1.26 -4.82 115.29 115.84 1bnd s HIS 33 Ca 0.00 0.16 -0.21 0.00 -0.15 0.00 0.00 55.06 54.86 1bnd s HIS 33 Cb 0.00 -1.73 -0.02 0.00 1.11 0.00 0.00 32.58 31.94 1bnd s HIS 33 CO 0.00 0.32 0.67 -0.65 -0.85 0.00 0.00 174.74 174.23 1bnd s GLN 34 N -4.00 4.18 0.16 1.40 -1.52 -1.26 -1.16 119.66 117.46 1bnd s GLN 34 Ca 0.37 0.66 0.07 0.00 -1.95 0.00 0.00 55.36 54.51 1bnd s GLN 34 Cb -0.10 -3.61 -0.04 0.00 -0.22 0.00 0.00 33.01 29.05 1bnd s GLN 34 CO 0.32 -0.33 -0.14 0.14 -0.25 0.00 0.00 175.29 175.02 1bnd s VAL 35 N 2.22 1.50 -0.05 1.09 -7.23 -0.70 -4.87 120.40 112.36 1bnd s VAL 35 Ca 0.29 -1.95 -0.22 0.00 -1.81 0.00 0.00 61.98 58.30 1bnd s VAL 35 Cb -0.16 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 1bnd s VAL 35 CO 0.10 -0.51 0.64 -0.89 -0.31 0.00 0.00 175.10 174.13 1bnd s THR 36 N -2.56 5.01 -0.19 5.32 2.01 -0.28 -1.52 115.64 123.44 1bnd s THR 36 Ca 0.15 1.32 -0.17 0.00 0.31 0.00 0.00 61.69 63.30 1bnd s THR 36 Cb -0.03 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1bnd s THR 36 CO 0.04 0.32 0.45 -0.69 -0.69 0.00 0.00 174.62 174.05 1bnd s VAL 37 N 0.45 5.16 0.57 3.82 1.01 -0.69 -1.42 120.40 129.30 1bnd s VAL 37 Ca 0.34 0.83 -0.16 0.00 0.00 0.00 0.00 61.98 62.99 1bnd s VAL 37 Cb -0.18 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1bnd s VAL 37 CO 0.17 0.23 1.04 -0.76 0.00 0.00 0.00 175.10 175.78 1bnd s LEU 38 N 1.35 3.53 0.19 3.92 1.43 -0.90 -4.45 118.68 123.75 1bnd s LEU 38 Ca 0.22 1.76 0.26 0.00 -1.03 0.00 0.00 54.13 55.34 1bnd s LEU 38 Cb -0.15 -4.53 0.74 0.00 0.03 0.00 0.00 46.19 42.28 1bnd s LEU 38 CO 0.09 -1.02 1.70 0.61 0.23 0.00 0.00 176.35 177.96 1bnd n GLY 39 N -1.11 -1.66 3.23 -3.19 0.00 -1.26 -4.70 105.19 96.50 1bnd n GLY 39 Ca 0.08 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1bnd n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bnd s GLU 40 N -3.11 0.86 -0.40 1.61 2.12 -1.26 -0.81 118.70 117.71 1bnd s GLU 40 Ca 0.10 -0.76 -0.01 0.00 0.36 0.00 0.00 54.97 54.66 1bnd s GLU 40 Cb 0.13 0.36 0.11 0.00 0.26 0.00 0.00 34.13 34.99 1bnd s GLU 40 CO 0.62 -0.29 0.18 0.42 -0.54 0.00 0.00 175.26 175.66 1bnd s ILE 41 N -3.37 3.10 0.05 -3.70 1.01 -0.20 -4.85 121.20 113.24 1bnd s ILE 41 Ca 0.01 -2.16 -0.17 0.00 0.00 0.00 0.00 60.65 58.32 1bnd s ILE 41 Cb 0.02 -3.15 -0.18 0.00 0.01 0.00 0.00 42.46 39.17 1bnd s ILE 41 CO -0.08 -0.68 1.24 0.11 0.00 0.00 0.00 174.94 175.52 1bnd h LYS 42 N 7.91 0.54 -6.99 2.79 6.56 -1.94 -2.05 116.57 123.39 1bnd h LYS 42 Ca -0.11 -0.43 -0.55 0.00 -1.06 0.00 0.00 60.65 58.50 1bnd h LYS 42 Cb 1.04 0.09 0.18 0.00 -0.57 0.00 0.00 32.23 32.97 1bnd h LYS 42 CO 0.66 1.06 0.08 2.41 -2.06 0.00 0.00 179.45 181.60 1bnd n THR 43 N -4.22 2.29 -0.69 -0.16 -1.04 -1.26 -2.34 114.28 106.85 1bnd n THR 43 Ca -0.08 -0.31 0.00 0.00 -2.04 0.00 0.00 64.05 61.62 1bnd n THR 43 Cb 0.60 -1.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.05 1bnd n THR 43 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1bnd n GLN 44 N -2.17 0.00 -3.67 -2.82 7.27 -1.26 -4.40 117.38 110.33 1bnd n GLN 44 Ca 0.12 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.88 1bnd n GLN 44 Cb 0.50 -1.75 0.02 0.00 2.41 0.00 0.00 30.24 31.42 1bnd n GLN 44 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1bnd n ASN 45 N 0.00 -5.12 0.00 1.69 5.15 -0.99 -5.01 115.26 110.99 1bnd n ASN 45 Ca 0.00 -0.61 0.00 0.00 -0.60 0.00 0.00 54.58 53.37 1bnd n ASN 45 Cb 0.00 -1.63 0.00 0.00 -0.53 0.00 0.00 39.78 37.62 1bnd n ASN 45 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1bnd n SER 46 N -1.52 0.00 -4.88 1.20 7.64 -1.21 -5.06 113.62 109.79 1bnd n SER 46 Ca -0.22 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.34 1bnd n SER 46 Cb 0.69 -0.32 -0.05 0.00 -1.01 0.00 0.00 64.21 63.53 1bnd n SER 46 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1bnd s PRO 47 N -0.71 3.35 -0.12 1.43 0.02 -1.26 -5.16 135.00 132.55 1bnd s PRO 47 Ca 0.00 -0.40 -0.12 0.00 0.02 0.00 0.00 61.00 60.50 1bnd s PRO 47 Cb 0.00 -3.02 -0.05 0.00 0.02 0.00 0.00 34.50 31.45 1bnd s PRO 47 CO 0.00 0.65 0.27 0.54 -0.33 0.00 0.00 177.00 178.13 1bnd s VAL 48 N -1.36 5.30 0.67 3.83 0.11 -0.77 -4.94 120.40 123.25 1bnd s VAL 48 Ca 0.29 0.51 -0.15 0.00 -2.93 0.00 0.00 61.98 59.70 1bnd s VAL 48 Cb -0.13 -3.59 0.01 0.00 -1.53 0.00 0.00 36.38 31.15 1bnd s VAL 48 CO 0.21 0.48 1.12 -0.75 -3.33 0.00 0.00 175.10 172.83 1bnd s LYS 49 N -0.19 2.71 -0.39 1.54 2.20 -1.26 -1.03 119.74 123.32 1bnd s LYS 49 Ca 0.17 1.41 -0.09 0.00 -0.36 0.00 0.00 55.97 57.09 1bnd s LYS 49 Cb -0.13 -1.94 0.05 0.00 -1.51 0.00 0.00 37.83 34.30 1bnd s LYS 49 CO 0.05 -1.32 0.22 -1.14 -0.36 0.00 0.00 175.35 172.80 1bnd s GLN 50 N -4.13 2.69 0.10 4.03 0.74 0.01 -4.76 119.66 118.34 1bnd s GLN 50 Ca 0.67 -1.27 0.04 0.00 0.05 0.00 0.00 55.36 54.85 1bnd s GLN 50 Cb -0.21 -3.72 -0.04 0.00 1.10 0.00 0.00 33.01 30.15 1bnd s GLN 50 CO 0.43 -0.81 -0.10 1.52 -0.55 0.00 0.00 175.29 175.77 1bnd s TYR 51 N 1.47 1.07 0.15 1.67 1.13 -1.26 -4.84 117.35 116.75 1bnd s TYR 51 Ca 0.02 -0.65 0.10 0.00 -1.41 0.00 0.00 57.07 55.13 1bnd s TYR 51 Cb -0.21 -0.59 -0.04 0.00 -1.10 0.00 0.00 41.96 40.02 1bnd s TYR 51 CO 0.04 0.01 -0.21 -0.06 -2.51 0.00 0.00 175.55 172.81 1bnd s PHE 52 N -2.40 2.41 -0.38 -3.49 0.08 -0.90 -4.96 117.98 108.33 1bnd s PHE 52 Ca 0.05 -0.32 -0.14 0.00 0.12 0.00 0.00 56.93 56.64 1bnd s PHE 52 Cb -0.03 -1.25 0.01 0.00 -0.57 0.00 0.00 43.02 41.18 1bnd s PHE 52 CO 0.00 0.42 0.27 -0.47 -0.10 0.00 0.00 175.22 175.34 1bnd s TYR 53 N -1.35 3.23 0.24 0.36 5.04 -1.26 -0.56 117.35 123.06 1bnd s TYR 53 Ca 0.18 -0.48 0.08 0.00 -2.44 0.00 0.00 57.07 54.42 1bnd s TYR 53 Cb -0.09 -2.54 -0.04 0.00 0.35 0.00 0.00 41.96 39.64 1bnd s TYR 53 CO 0.09 -0.51 0.05 -2.00 -1.34 0.00 0.00 175.55 171.84 1bnd s GLU 54 N 1.69 2.47 -0.23 4.97 2.12 -0.02 -4.95 118.70 124.74 1bnd s GLU 54 Ca 0.05 -1.26 -0.04 0.00 0.36 0.00 0.00 54.97 54.08 1bnd s GLU 54 Cb -0.18 -2.30 0.12 0.00 0.26 0.00 0.00 34.13 32.03 1bnd s GLU 54 CO 0.10 0.39 0.42 -0.08 -0.54 0.00 0.00 175.26 175.55 1bnd s THR 55 N -2.15 -0.66 0.49 -1.70 -1.32 -0.97 -1.37 115.64 107.95 1bnd s THR 55 Ca 0.31 0.03 0.02 0.00 -1.21 0.00 0.00 61.69 60.84 1bnd s THR 55 Cb -0.07 -0.77 -0.02 0.00 -1.51 0.00 0.00 72.50 70.13 1bnd s THR 55 CO 0.21 -0.04 0.03 0.00 -2.21 0.00 0.00 174.62 172.61 1bnd s ARG 56 N 2.60 2.14 0.26 7.08 3.03 -0.86 -1.75 118.95 131.45 1bnd s ARG 56 Ca 0.08 -2.35 -0.29 0.00 2.03 0.00 0.00 55.73 55.19 1bnd s ARG 56 Cb -0.14 -1.33 -0.09 0.00 -1.03 0.00 0.00 34.95 32.36 1bnd s ARG 56 CO -0.15 -0.38 1.17 0.00 -1.13 0.00 0.00 175.30 174.80 1bnd h LYS 58 N 4.21 0.59 -1.52 0.00 1.79 -1.78 -3.46 116.57 116.40 1bnd h LYS 58 Ca -0.46 -0.16 0.27 0.00 -2.18 0.00 0.00 60.65 58.11 1bnd h LYS 58 Cb 1.21 -0.07 -0.17 0.00 -1.58 0.00 0.00 32.23 31.63 1bnd h LYS 58 CO 0.69 0.66 0.80 -2.00 -1.08 0.00 0.00 179.45 178.52 1bnd s GLU 59 N -4.83 0.37 0.00 3.15 2.12 -1.26 -5.05 118.70 113.19 1bnd s GLU 59 Ca -0.08 -0.16 0.23 0.00 0.36 0.00 0.00 54.97 55.32 1bnd s GLU 59 Cb 0.15 0.15 1.20 0.00 0.26 0.00 0.00 34.13 35.89 1bnd s GLU 59 CO 0.79 -0.16 1.75 0.00 -0.54 0.00 0.00 175.26 177.09 1bnd n ALA 60 N -0.21 2.21 -3.26 6.30 0.00 -1.26 -4.64 120.51 119.66 1bnd n ALA 60 Ca -0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 53.44 53.27 1bnd n ALA 60 Cb 0.60 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.63 1bnd n ALA 60 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1bnd s ARG 61 N -2.44 0.45 0.05 0.00 3.03 -1.26 -2.05 118.95 116.73 1bnd s ARG 61 Ca 0.25 0.67 -0.16 0.00 2.03 0.00 0.00 55.73 58.52 1bnd s ARG 61 Cb 0.15 -0.04 -0.24 0.00 -1.03 0.00 0.00 34.95 33.79 1bnd s ARG 61 CO 0.33 -0.70 1.15 -1.00 -1.13 0.00 0.00 175.30 173.95 1bnd h PRO 62 N 8.10 0.62 0.00 3.89 0.13 -1.80 -3.43 132.00 139.51 1bnd h PRO 62 Ca -0.19 -0.69 -0.48 0.00 -0.87 0.00 0.00 66.00 63.78 1bnd h PRO 62 Cb 1.16 0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 1bnd h PRO 62 CO 0.26 1.28 -0.15 1.33 -0.23 0.00 0.00 178.00 180.50 1bnd n VAL 63 N -3.94 0.00 -1.66 1.56 0.24 -1.26 -5.02 118.33 108.25 1bnd n VAL 63 Ca -0.11 -1.85 -0.06 0.00 -2.04 0.00 0.00 64.34 60.28 1bnd n VAL 63 Cb 0.85 -0.34 0.16 0.00 -1.47 0.00 0.00 33.84 33.04 1bnd n VAL 63 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1bnd n LYS 64 N -1.93 2.19 -0.01 7.34 5.02 -1.26 -4.15 118.16 125.36 1bnd n LYS 64 Ca 0.07 -3.49 0.07 0.00 -2.02 0.00 0.00 58.31 52.94 1bnd n LYS 64 Cb 0.55 -1.86 -0.11 0.00 -0.02 0.00 0.00 35.03 33.59 1bnd n LYS 64 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1bnd n ASN 65 N -1.01 1.74 0.00 4.39 2.85 -1.26 -5.09 115.26 116.88 1bnd n ASN 65 Ca 0.31 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.78 1bnd n ASN 65 Cb 0.85 1.63 0.00 0.00 1.24 0.00 0.00 39.78 43.50 1bnd n ASN 65 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1bnd n GLY 66 N 1.70 -0.36 4.00 8.20 0.00 -1.26 -4.24 105.19 113.24 1bnd n GLY 66 Ca -0.03 0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 1bnd n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bnd s ARG 68 N -4.29 4.05 0.00 0.00 3.52 0.24 -4.04 118.95 118.43 1bnd s ARG 68 Ca 0.51 0.78 0.00 0.00 -0.13 0.00 0.00 55.73 56.89 1bnd s ARG 68 Cb -0.10 -2.36 0.00 0.00 -1.56 0.00 0.00 34.95 30.93 1bnd s ARG 68 CO 0.32 0.10 0.00 0.41 -0.81 0.00 0.00 175.30 175.32 1bnd n GLY 69 N -0.48 1.95 3.79 8.12 0.00 -1.26 -4.50 105.19 112.81 1bnd n GLY 69 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1bnd n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bnd s ILE 70 N -3.33 3.53 -1.08 -0.61 -1.09 -1.26 -4.99 121.20 112.37 1bnd s ILE 70 Ca 0.00 0.50 -0.06 0.00 -2.23 0.00 0.00 60.65 58.86 1bnd s ILE 70 Cb 0.00 -3.15 0.29 0.00 -1.58 0.00 0.00 42.46 38.02 1bnd s ILE 70 CO 0.00 -0.65 1.27 -0.67 -1.23 0.00 0.00 174.94 173.66 1bnd n ASP 71 N -3.36 5.87 0.22 3.58 2.03 -1.26 -4.85 116.55 118.77 1bnd n ASP 71 Ca 0.08 -3.24 0.11 0.00 0.52 0.00 0.00 54.79 52.26 1bnd n ASP 71 Cb 0.54 -1.29 0.58 0.00 -0.72 0.00 0.00 41.12 40.23 1bnd n ASP 71 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1bnd h ASP 72 N 5.96 0.00 0.54 1.67 2.03 -1.95 0.33 116.42 125.00 1bnd h ASP 72 Ca 0.19 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.49 1bnd h ASP 72 Cb 0.74 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.24 1bnd h ASP 72 CO 1.16 0.00 0.00 0.11 -1.03 0.00 0.00 179.24 179.48 1bnd h LYS 73 N 0.00 0.00 -0.05 4.15 1.57 -2.04 -3.24 116.57 116.96 1bnd h LYS 73 Ca 0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 1bnd h LYS 73 Cb 0.43 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.55 1bnd h LYS 73 CO 0.00 0.00 -0.42 -2.39 -0.57 0.00 0.00 179.45 176.07 1bnd n HIS 74 N -2.46 -0.98 -3.59 -1.35 1.44 0.11 -5.14 115.22 103.25 1bnd n HIS 74 Ca 0.01 -1.34 -0.15 0.00 -2.01 0.00 0.00 57.72 54.23 1bnd n HIS 74 Cb 0.18 0.95 -0.07 0.00 0.12 0.00 0.00 29.99 31.18 1bnd n HIS 74 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1bnd s TRP 75 N -0.36 -0.72 -0.13 -1.40 0.23 -0.61 -4.61 118.94 111.34 1bnd s TRP 75 Ca 0.10 1.58 0.02 0.00 -2.03 0.00 0.00 56.10 55.77 1bnd s TRP 75 Cb 0.30 0.33 -0.00 0.00 0.03 0.00 0.00 33.47 34.13 1bnd s TRP 75 CO -0.08 -0.45 -0.19 -0.80 0.96 0.00 0.00 176.95 176.39 1bnd s ASN 76 N -0.22 3.46 0.37 2.95 0.02 0.04 -4.16 114.94 117.41 1bnd s ASN 76 Ca -0.04 -0.50 0.04 0.00 -1.02 0.00 0.00 52.86 51.35 1bnd s ASN 76 Cb -0.03 -1.51 -0.06 0.00 0.02 0.00 0.00 41.25 39.67 1bnd s ASN 76 CO 0.04 0.12 0.06 -0.94 0.02 0.00 0.00 177.10 176.39 1bnd s SER 77 N 0.61 2.81 -0.22 -1.22 1.04 -1.26 0.22 113.70 115.68 1bnd s SER 77 Ca -0.10 -1.44 -0.28 0.00 0.48 0.00 0.00 55.95 54.61 1bnd s SER 77 Cb -0.16 -0.00 0.12 0.00 0.10 0.00 0.00 66.02 66.08 1bnd s SER 77 CO 0.03 -0.65 1.01 -1.58 0.98 0.00 0.00 173.24 173.03 1bnd s GLN 78 N -3.83 0.56 -0.39 4.02 0.74 -1.02 -4.32 119.66 115.40 1bnd s GLN 78 Ca 0.32 0.36 -0.15 0.00 0.05 0.00 0.00 55.36 55.94 1bnd s GLN 78 Cb 0.07 0.27 0.01 0.00 1.10 0.00 0.00 33.01 34.46 1bnd s GLN 78 CO 0.15 -0.13 0.32 0.00 -0.55 0.00 0.00 175.29 175.08 1bnd s LYS 80 N 1.81 2.64 0.14 0.00 2.47 0.49 -4.19 119.74 123.11 1bnd s LYS 80 Ca 0.07 -0.70 -0.30 0.00 -1.56 0.00 0.00 55.97 53.48 1bnd s LYS 80 Cb -0.18 -2.58 -0.07 0.00 -1.46 0.00 0.00 37.83 33.54 1bnd s LYS 80 CO 0.11 0.60 1.13 0.99 0.16 0.00 0.00 175.35 178.34 1bnd s THR 81 N -1.09 3.92 0.21 3.43 2.01 -1.26 -0.67 115.64 122.19 1bnd s THR 81 Ca 0.20 1.57 0.08 0.00 0.31 0.00 0.00 61.69 63.84 1bnd s THR 81 Cb -0.11 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 1bnd s THR 81 CO 0.10 0.22 0.04 -0.94 -0.69 0.00 0.00 174.62 173.36 1bnd s SER 82 N 0.25 4.89 0.33 3.53 1.04 0.65 -4.91 113.70 119.49 1bnd s SER 82 Ca 0.52 -0.42 0.09 0.00 0.48 0.00 0.00 55.95 56.62 1bnd s SER 82 Cb -0.29 -1.06 -0.05 0.00 0.10 0.00 0.00 66.02 64.71 1bnd s SER 82 CO 0.33 0.05 0.02 -1.10 0.98 0.00 0.00 173.24 173.52 1bnd s GLN 83 N -3.28 2.11 0.39 4.02 -0.21 -1.26 -0.93 119.66 120.50 1bnd s GLN 83 Ca 0.30 -1.70 0.05 0.00 0.02 0.00 0.00 55.36 54.02 1bnd s GLN 83 Cb -0.08 -1.97 -0.02 0.00 1.00 0.00 0.00 33.01 31.94 1bnd s GLN 83 CO 0.20 0.15 0.18 -0.08 -2.12 0.00 0.00 175.29 173.63 1bnd s THR 84 N -2.49 0.37 -0.08 -0.19 -1.32 -0.43 -4.79 115.64 106.71 1bnd s THR 84 Ca 0.35 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.84 1bnd s THR 84 Cb -0.01 -2.38 -0.03 0.00 -1.51 0.00 0.00 72.50 68.58 1bnd s THR 84 CO 0.20 0.00 -0.09 -0.31 -2.21 0.00 0.00 174.62 172.20 1bnd s TYR 85 N -3.29 2.87 0.00 9.09 2.02 -1.26 -1.83 117.35 124.95 1bnd s TYR 85 Ca 0.29 -0.12 0.01 0.00 -0.37 0.00 0.00 57.07 56.88 1bnd s TYR 85 Cb 0.02 -1.72 -0.00 0.00 -0.40 0.00 0.00 41.96 39.85 1bnd s TYR 85 CO 0.19 0.21 -0.02 0.14 -1.57 0.00 0.00 175.55 174.49 1bnd s VAL 86 N -0.58 0.17 0.14 0.71 -7.23 -0.49 -4.91 120.40 108.21 1bnd s VAL 86 Ca 0.08 -0.24 -0.30 0.00 -1.81 0.00 0.00 61.98 59.72 1bnd s VAL 86 Cb -0.12 -0.18 -0.07 0.00 0.56 0.00 0.00 36.38 36.58 1bnd s VAL 86 CO 0.02 -0.04 1.12 -0.13 -0.31 0.00 0.00 175.10 175.75 1bnd s ARG 87 N -0.30 4.55 0.05 4.82 0.52 -1.26 -0.85 118.95 126.48 1bnd s ARG 87 Ca -0.02 1.72 0.02 0.00 -0.52 0.00 0.00 55.73 56.93 1bnd s ARG 87 Cb -0.02 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 32.12 1bnd s ARG 87 CO -0.00 -0.02 -0.07 0.00 0.02 0.00 0.00 175.30 175.23 1bnd s ALA 88 N 0.14 0.57 -0.16 2.13 0.00 -0.48 -4.94 121.76 119.02 1bnd s ALA 88 Ca 0.52 -0.84 -0.27 0.00 0.00 0.00 0.00 51.96 51.37 1bnd s ALA 88 Cb -0.29 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1bnd s ALA 88 CO 0.33 -0.08 0.89 -1.17 0.00 0.00 0.00 175.76 175.73 1bnd s LEU 89 N -1.82 4.19 0.27 0.00 2.96 -1.26 -1.09 118.68 121.93 1bnd s LEU 89 Ca -0.07 1.27 0.03 0.00 -0.22 0.00 0.00 54.13 55.15 1bnd s LEU 89 Cb -0.07 -3.33 -0.03 0.00 0.50 0.00 0.00 46.19 43.25 1bnd s LEU 89 CO -0.01 -0.43 0.22 0.42 -1.32 0.00 0.00 176.35 175.24 1bnd s THR 90 N 2.17 0.00 0.13 3.68 -4.23 0.97 -2.13 115.64 116.24 1bnd s THR 90 Ca 0.41 -1.98 -0.02 0.00 -1.18 0.00 0.00 61.69 58.91 1bnd s THR 90 Cb -0.17 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.14 1bnd s THR 90 CO 0.13 0.00 0.09 -0.94 -0.54 0.00 0.00 174.62 173.36 1bnd s SER 91 N -3.27 0.27 -0.08 3.99 1.04 -0.51 -0.38 113.70 114.76 1bnd s SER 91 Ca 0.40 -1.15 -0.03 0.00 0.48 0.00 0.00 55.95 55.65 1bnd s SER 91 Cb 0.04 0.31 0.04 0.00 0.10 0.00 0.00 66.02 66.52 1bnd s SER 91 CO 0.21 -0.75 0.08 -0.70 0.98 0.00 0.00 173.24 173.05 1bnd s GLU 92 N -4.03 -0.03 -1.70 4.02 2.12 -0.17 -1.12 118.70 117.78 1bnd s GLU 92 Ca 0.22 0.27 -0.02 0.00 0.36 0.00 0.00 54.97 55.81 1bnd s GLU 92 Cb 0.07 -0.84 0.00 0.00 0.26 0.00 0.00 34.13 33.62 1bnd s GLU 92 CO 0.01 -0.42 0.23 0.09 -0.54 0.00 0.00 175.26 174.63 1bnd n ASN 93 N 5.30 -6.02 -0.94 -1.70 3.02 -1.26 -1.24 115.26 112.41 1bnd n ASN 93 Ca -0.04 -0.12 -0.11 0.00 -0.03 0.00 0.00 54.58 54.28 1bnd n ASN 93 Cb 0.50 -4.95 -0.04 0.00 -0.61 0.00 0.00 39.78 34.68 1bnd n ASN 93 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1bnd n ASN 94 N -2.21 -4.21 -3.52 6.41 3.02 -1.26 -4.99 115.26 108.49 1bnd n ASN 94 Ca -0.20 0.22 -0.22 0.00 -0.03 0.00 0.00 54.58 54.35 1bnd n ASN 94 Cb 0.66 -2.85 -0.07 0.00 -0.61 0.00 0.00 39.78 36.91 1bnd n ASN 94 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1bnd n LYS 95 N -2.56 0.49 -4.00 3.52 4.76 -0.38 -4.92 118.16 115.08 1bnd n LYS 95 Ca -0.12 -3.35 -0.26 0.00 -2.87 0.00 0.00 58.31 51.72 1bnd n LYS 95 Cb 0.41 2.27 -0.03 0.00 -1.84 0.00 0.00 35.03 35.84 1bnd n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1bnd n LEU 96 N 0.00 -2.09 -4.71 -0.35 4.77 -1.26 -1.00 117.00 112.36 1bnd n LEU 96 Ca 0.01 -1.03 -0.42 0.00 -0.03 0.00 0.00 56.01 54.53 1bnd n LEU 96 Cb 0.60 -2.16 -0.03 0.00 -2.33 0.00 0.00 43.42 39.50 1bnd n LEU 96 CO 0.31 0.43 1.39 -0.69 -1.33 0.00 0.00 177.39 177.51 1bnd s VAL 97 N -3.99 2.19 -0.08 4.08 1.01 -1.26 -4.47 120.40 117.89 1bnd s VAL 97 Ca 0.02 0.05 -0.31 0.00 0.00 0.00 0.00 61.98 61.74 1bnd s VAL 97 Cb -0.01 -3.03 0.12 0.00 0.00 0.00 0.00 36.38 33.46 1bnd s VAL 97 CO 0.90 0.00 1.38 -0.83 0.00 0.00 0.00 175.10 176.55 1bnd s GLY 98 N 1.59 -0.31 -0.26 4.51 0.00 0.49 -4.97 107.32 108.36 1bnd s GLY 98 Ca 0.76 0.44 -0.27 0.00 0.00 0.00 0.00 44.72 45.65 1bnd s GLY 98 CO 0.33 4.06 0.97 -0.98 0.00 0.00 0.00 173.10 177.48 1bnd s TRP 99 N -2.04 3.28 0.14 1.90 0.52 -1.26 -0.02 118.94 121.46 1bnd s TRP 99 Ca 0.25 1.27 0.07 0.00 0.02 0.00 0.00 56.10 57.71 1bnd s TRP 99 Cb 0.03 -3.30 -0.04 0.00 -1.15 0.00 0.00 33.47 29.01 1bnd s TRP 99 CO -0.04 -0.53 -0.16 1.03 0.02 0.00 0.00 176.95 177.28 1bnd s ARG 100 N 3.18 1.12 -0.21 4.98 0.52 -0.25 -4.92 118.95 123.37 1bnd s ARG 100 Ca 0.41 -1.30 -0.26 0.00 -0.52 0.00 0.00 55.73 54.06 1bnd s ARG 100 Cb -0.14 -1.07 -0.01 0.00 0.52 0.00 0.00 34.95 34.25 1bnd s ARG 100 CO 0.09 0.21 0.87 -1.58 0.02 0.00 0.00 175.30 174.91 1bnd s TRP 101 N -2.08 3.36 0.21 -0.53 0.52 -1.26 -1.38 118.94 117.77 1bnd s TRP 101 Ca 0.11 1.24 0.11 0.00 0.02 0.00 0.00 56.10 57.58 1bnd s TRP 101 Cb -0.05 -3.08 -0.05 0.00 -1.15 0.00 0.00 33.47 29.15 1bnd s TRP 101 CO 0.04 -0.35 -0.19 0.96 0.02 0.00 0.00 176.95 177.43 1bnd s ILE 102 N 2.65 2.59 -0.19 2.03 -4.36 -0.03 -0.89 121.20 123.00 1bnd s ILE 102 Ca 0.38 -2.04 -0.22 0.00 -0.26 0.00 0.00 60.65 58.51 1bnd s ILE 102 Cb -0.16 -2.29 -0.02 0.00 1.25 0.00 0.00 42.46 41.24 1bnd s ILE 102 CO 0.09 -0.19 0.67 -0.13 0.24 0.00 0.00 174.94 175.62 1bnd s ARG 103 N -2.94 4.23 0.04 0.37 3.00 -0.03 -1.39 118.95 122.23 1bnd s ARG 103 Ca 0.24 0.70 0.07 0.00 0.00 0.00 0.00 55.73 56.74 1bnd s ARG 103 Cb -0.07 -3.57 -0.02 0.00 0.00 0.00 0.00 34.95 31.28 1bnd s ARG 103 CO 0.12 -0.25 -0.19 0.96 0.00 0.00 0.00 175.30 175.95 1bnd s ILE 104 N 1.92 1.52 0.12 1.52 -4.36 -0.76 -4.59 121.20 116.57 1bnd s ILE 104 Ca 0.31 -1.12 -0.31 0.00 -0.26 0.00 0.00 60.65 59.26 1bnd s ILE 104 Cb -0.16 -1.33 -0.10 0.00 1.25 0.00 0.00 42.46 42.12 1bnd s ILE 104 CO 0.11 0.17 1.78 -1.81 0.24 0.00 0.00 174.94 175.43 1bnd s ASP 105 N -1.12 6.45 0.00 4.36 1.01 -1.26 -1.31 116.67 124.80 1bnd s ASP 105 Ca 0.06 2.72 0.00 0.00 0.71 0.00 0.00 52.55 56.04 1bnd s ASP 105 Cb -0.08 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1bnd s ASP 105 CO 0.01 -0.98 0.00 1.07 0.21 0.00 0.00 175.17 175.49 1bnd n THR 106 N 4.64 0.00 -3.77 -1.27 5.66 -0.11 -2.30 114.28 117.14 1bnd n THR 106 Ca 0.17 -0.18 -0.01 0.00 -3.05 0.00 0.00 64.05 60.98 1bnd n THR 106 Cb 0.38 0.67 0.00 0.00 -1.55 0.00 0.00 70.33 69.83 1bnd n THR 106 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1bnd s SER 107 N -1.55 -0.07 -0.13 1.09 1.04 -0.71 -4.59 113.70 108.77 1bnd s SER 107 Ca 0.00 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.08 1bnd s SER 107 Cb 0.00 0.35 -0.00 0.00 0.10 0.00 0.00 66.02 66.47 1bnd s SER 107 CO 0.00 -0.67 -0.18 0.00 0.98 0.00 0.00 173.24 173.37 1bnd s VAL 109 N 0.54 0.67 -0.20 0.00 1.01 0.15 -4.90 120.40 117.68 1bnd s VAL 109 Ca -0.11 -1.03 -0.24 0.00 0.00 0.00 0.00 61.98 60.60 1bnd s VAL 109 Cb -0.16 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 1bnd s VAL 109 CO 0.04 -0.28 0.77 0.00 0.00 0.00 0.00 175.10 175.63 1bnd s ALA 111 N 2.31 3.50 -0.05 0.00 0.00 0.39 -4.93 121.76 122.98 1bnd s ALA 111 Ca 0.34 -1.05 -0.09 0.00 0.00 0.00 0.00 51.96 51.16 1bnd s ALA 111 Cb -0.16 -2.40 -0.05 0.00 0.00 0.00 0.00 23.12 20.52 1bnd s ALA 111 CO 0.10 -0.47 0.25 -0.51 0.00 0.00 0.00 175.76 175.14 1bnd s LEU 112 N 1.59 4.40 0.00 0.00 1.43 -1.26 -2.44 118.68 122.40 1bnd s LEU 112 Ca 0.07 0.62 0.01 0.00 -1.03 0.00 0.00 54.13 53.80 1bnd s LEU 112 Cb -0.15 -2.40 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 1bnd s LEU 112 CO 0.09 0.33 -0.05 -0.55 0.23 0.00 0.00 176.35 176.41 1bnd s SER 113 N -1.28 0.54 1.12 2.29 0.15 0.13 -4.97 113.70 111.68 1bnd s SER 113 Ca 0.21 -0.13 -0.14 0.00 0.70 0.00 0.00 55.95 56.60 1bnd s SER 113 Cb -0.14 -0.05 0.20 0.00 -1.71 0.00 0.00 66.02 64.33 1bnd s SER 113 CO 0.10 0.02 0.85 -1.14 1.20 0.00 0.00 173.24 174.28 1bnd n ARG 114 N 2.81 -1.98 0.00 5.44 3.00 -1.26 -0.78 116.66 123.89 1bnd n ARG 114 Ca -0.14 -1.34 0.00 0.00 -0.00 0.00 0.00 57.85 56.37 1bnd n ARG 114 Cb 0.58 -1.11 0.00 0.00 0.00 0.00 0.00 32.46 31.93 1bnd n ARG 114 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26