#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ba3 h ASP 2 N 0.00 0.97 -3.10 -3.46 2.03 -2.11 -3.46 116.42 107.28 2ba3 h ASP 2 Ca 0.00 -0.02 -0.14 0.00 -0.73 0.00 0.00 57.03 56.14 2ba3 h ASP 2 Cb 0.00 -0.23 -0.03 0.00 -0.83 0.00 0.00 39.33 38.24 2ba3 h ASP 2 CO 0.00 0.69 0.01 -0.24 -1.03 0.00 0.00 179.24 178.67 2ba3 n SER 3 N -4.51 -1.35 -3.12 4.15 2.88 -1.26 -5.14 113.62 105.27 2ba3 n SER 3 Ca 0.10 -2.39 0.02 0.00 -1.33 0.00 0.00 58.87 55.27 2ba3 n SER 3 Cb 0.05 2.38 -0.00 0.00 -0.75 0.00 0.00 64.21 65.88 2ba3 n SER 3 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ba3 s ALA 4 N -2.25 -2.84 0.38 -1.46 0.00 -1.26 -5.05 121.76 109.27 2ba3 s ALA 4 Ca 0.19 0.71 0.13 0.00 0.00 0.00 0.00 51.96 52.98 2ba3 s ALA 4 Cb -0.02 -2.74 0.75 0.00 0.00 0.00 0.00 23.12 21.11 2ba3 s ALA 4 CO 0.14 -2.15 1.84 -0.24 0.00 0.00 0.00 175.76 175.35 2ba3 h VAL 5 N 4.99 1.25 -4.08 0.00 3.04 -2.04 -3.43 116.25 115.98 2ba3 h VAL 5 Ca 0.01 -1.21 -0.52 0.00 -1.01 0.00 0.00 66.70 63.97 2ba3 h VAL 5 Cb 1.19 1.65 0.09 0.00 -2.01 0.00 0.00 31.29 32.21 2ba3 h VAL 5 CO 0.07 0.35 0.46 -0.60 -1.01 0.00 0.00 177.57 176.84 2ba3 s ARG 6 N -4.24 3.25 0.28 4.17 3.52 -1.26 -5.05 118.95 119.63 2ba3 s ARG 6 Ca -0.03 1.75 0.03 0.00 -0.13 0.00 0.00 55.73 57.35 2ba3 s ARG 6 Cb 0.15 -2.04 -0.04 0.00 -1.56 0.00 0.00 34.95 31.46 2ba3 s ARG 6 CO 0.72 -0.97 0.16 -1.59 -0.81 0.00 0.00 175.30 172.82 2ba3 s LYS 7 N -3.21 1.52 -0.18 5.12 -2.85 -1.26 -5.08 119.74 113.81 2ba3 s LYS 7 Ca 0.73 -1.85 0.13 0.00 -1.00 0.00 0.00 55.97 53.98 2ba3 s LYS 7 Cb -0.28 0.01 0.40 0.00 -2.06 0.00 0.00 37.83 35.91 2ba3 s LYS 7 CO 0.31 -0.45 1.21 1.63 0.10 0.00 0.00 175.35 178.15 2ba3 n LYS 8 N -0.51 1.40 0.16 1.78 5.02 -1.26 -4.78 118.16 119.97 2ba3 n LYS 8 Ca 0.02 -3.09 0.13 0.00 -2.02 0.00 0.00 58.31 53.35 2ba3 n LYS 8 Cb 0.65 -1.45 0.48 0.00 -0.02 0.00 0.00 35.03 34.70 2ba3 n LYS 8 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2ba3 h SER 9 N 0.89 0.00 -1.47 4.39 4.64 -2.03 -3.42 113.55 116.55 2ba3 h SER 9 Ca -0.02 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.84 2ba3 h SER 9 Cb 1.09 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.12 2ba3 h SER 9 CO 0.01 0.00 1.13 -1.61 -0.87 0.00 0.00 176.83 175.49 2ba3 s GLU 10 N -3.33 2.89 0.34 4.77 2.02 -1.26 -4.85 118.70 119.28 2ba3 s GLU 10 Ca 0.05 -0.17 0.26 0.00 0.02 0.00 0.00 54.97 55.13 2ba3 s GLU 10 Cb 0.10 -4.76 1.15 0.00 0.10 0.00 0.00 34.13 30.71 2ba3 s GLU 10 CO 0.49 -2.74 1.78 -0.39 0.02 0.00 0.00 175.26 174.42 2ba3 h VAL 11 N 6.84 0.00 -2.82 2.63 -1.51 -2.02 -3.45 116.25 115.91 2ba3 h VAL 11 Ca -0.06 -0.23 -0.52 0.00 -1.23 0.00 0.00 66.70 64.66 2ba3 h VAL 11 Cb 1.06 0.97 0.06 0.00 -2.13 0.00 0.00 31.29 31.25 2ba3 h VAL 11 CO 1.27 0.00 0.95 -0.60 -1.23 0.00 0.00 177.57 177.96 2ba3 s ARG 12 N -3.45 4.15 -0.68 5.19 3.00 -1.26 -4.80 118.95 121.09 2ba3 s ARG 12 Ca 0.02 2.53 -0.27 0.00 -1.00 0.00 0.00 55.73 57.01 2ba3 s ARG 12 Cb 0.09 -3.09 -0.13 0.00 0.00 0.00 0.00 34.95 31.82 2ba3 s ARG 12 CO 0.38 -0.69 2.51 1.04 0.00 0.00 0.00 175.30 178.55 2ba3 n GLN 13 N 3.67 0.65 0.20 5.12 1.13 -1.26 -4.81 117.38 122.09 2ba3 n GLN 13 Ca 0.14 -0.03 0.08 0.00 -1.94 0.00 0.00 57.00 55.24 2ba3 n GLN 13 Cb 0.36 -2.76 0.35 0.00 0.11 0.00 0.00 30.24 28.31 2ba3 n GLN 13 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 2ba3 h LYS 14 N 16.71 0.00 0.00 -1.09 2.10 -1.90 -3.44 116.57 128.95 2ba3 h LYS 14 Ca -0.16 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.29 2ba3 h LYS 14 Cb 1.27 0.00 0.10 0.00 -0.90 0.00 0.00 32.23 32.70 2ba3 h LYS 14 CO 1.24 0.30 0.09 -2.37 -2.00 0.00 0.00 179.45 176.71 2ba3 n THR 15 N -3.39 0.00 -4.24 0.07 5.66 -1.26 -5.10 114.28 106.02 2ba3 n THR 15 Ca 0.00 -0.30 -0.15 0.00 -3.05 0.00 0.00 64.05 60.56 2ba3 n THR 15 Cb 0.50 -1.26 -0.10 0.00 -1.55 0.00 0.00 70.33 67.92 2ba3 n THR 15 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2ba3 s VAL 16 N -2.09 1.17 -0.18 1.08 1.01 -1.26 -5.15 120.40 114.97 2ba3 s VAL 16 Ca 0.36 -1.91 -0.05 0.00 0.00 0.00 0.00 61.98 60.38 2ba3 s VAL 16 Cb -0.03 -1.69 0.09 0.00 0.00 0.00 0.00 36.38 34.75 2ba3 s VAL 16 CO 0.27 -0.64 0.33 0.54 0.00 0.00 0.00 175.10 175.60 2ba3 s VAL 17 N -2.90 -0.51 0.14 2.92 0.11 -1.26 -5.16 120.40 113.74 2ba3 s VAL 17 Ca 0.13 0.14 -0.15 0.00 -2.93 0.00 0.00 61.98 59.16 2ba3 s VAL 17 Cb -0.00 -0.61 0.03 0.00 -1.53 0.00 0.00 36.38 34.27 2ba3 s VAL 17 CO 0.01 0.02 0.40 -0.60 -3.33 0.00 0.00 175.10 171.61 2ba3 s ARG 18 N 2.49 1.12 -0.19 1.54 3.52 -1.26 -5.15 118.95 121.03 2ba3 s ARG 18 Ca 0.03 -0.78 -0.06 0.00 -0.13 0.00 0.00 55.73 54.79 2ba3 s ARG 18 Cb -0.13 0.47 -0.03 0.00 -1.56 0.00 0.00 34.95 33.69 2ba3 s ARG 18 CO -0.12 -0.44 0.02 0.99 -0.81 0.00 0.00 175.30 174.95 2ba3 s THR 19 N -3.83 4.34 -0.12 4.11 2.01 -1.26 -5.09 115.64 115.79 2ba3 s THR 19 Ca 0.05 -0.19 -0.00 0.00 0.31 0.00 0.00 61.69 61.86 2ba3 s THR 19 Cb 0.02 -2.95 0.02 0.00 0.01 0.00 0.00 72.50 69.60 2ba3 s THR 19 CO -0.09 0.45 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.97 2ba3 s LEU 20 N 0.63 1.32 0.49 4.42 0.20 -1.26 -5.14 118.68 119.34 2ba3 s LEU 20 Ca 0.01 -0.35 -0.11 0.00 0.69 0.00 0.00 54.13 54.38 2ba3 s LEU 20 Cb -0.14 -0.93 -0.06 0.00 -0.43 0.00 0.00 46.19 44.64 2ba3 s LEU 20 CO 0.02 -0.10 0.87 -0.13 -0.29 0.00 0.00 176.35 176.72 2ba3 s ARG 21 N 1.62 3.72 0.04 1.98 1.81 -1.26 -5.11 118.95 121.75 2ba3 s ARG 21 Ca 0.04 0.57 -0.07 0.00 -1.72 0.00 0.00 55.73 54.56 2ba3 s ARG 21 Cb -0.13 -2.27 -0.01 0.00 -0.45 0.00 0.00 34.95 32.10 2ba3 s ARG 21 CO -0.08 -0.24 0.12 -0.06 -0.68 0.00 0.00 175.30 174.36 2ba3 s PHE 22 N -2.68 0.17 0.83 -0.53 0.40 -1.26 -5.13 117.98 109.78 2ba3 s PHE 22 Ca 0.53 -0.47 -0.13 0.00 -0.60 0.00 0.00 56.93 56.27 2ba3 s PHE 22 Cb -0.10 -0.11 0.10 0.00 0.51 0.00 0.00 43.02 43.41 2ba3 s PHE 22 CO 0.39 -0.39 1.20 -1.12 0.70 0.00 0.00 175.22 176.00 2ba3 s SER 23 N -2.19 4.29 0.03 1.36 0.01 -1.26 -4.83 113.70 111.11 2ba3 s SER 23 Ca -0.04 0.71 -0.27 0.00 1.31 0.00 0.00 55.95 57.67 2ba3 s SER 23 Cb -0.00 -1.15 -0.17 0.00 0.21 0.00 0.00 66.02 64.91 2ba3 s SER 23 CO -0.05 -2.03 1.37 1.55 0.41 0.00 0.00 173.24 174.48 2ba3 h PRO 24 N -1.15 -0.46 -0.82 12.44 0.13 -2.02 -0.66 132.00 139.46 2ba3 h PRO 24 Ca -0.46 0.03 0.03 0.00 -0.87 0.00 0.00 66.00 64.73 2ba3 h PRO 24 Cb 1.32 0.11 -0.05 0.00 0.13 0.00 0.00 31.00 32.51 2ba3 h PRO 24 CO 0.62 -0.18 0.53 0.28 -0.23 0.00 0.00 178.00 179.02 2ba3 h VAL 25 N -0.72 1.14 0.02 1.56 2.07 -1.98 0.14 116.25 118.48 2ba3 h VAL 25 Ca -0.05 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 2ba3 h VAL 25 Cb 0.50 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2ba3 h VAL 25 CO 0.08 0.19 -0.01 -0.33 0.02 0.00 0.00 177.57 177.52 2ba3 h GLU 26 N 1.03 -0.03 -0.31 1.57 5.08 -1.93 -0.91 114.58 119.08 2ba3 h GLU 26 Ca 0.32 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.69 2ba3 h GLU 26 Cb -0.01 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2ba3 h GLU 26 CO -0.11 0.16 0.19 0.22 -1.00 0.00 0.00 179.01 178.48 2ba3 h ASP 27 N -0.20 0.33 -0.58 1.42 3.58 -0.85 -1.15 116.42 118.97 2ba3 h ASP 27 Ca -0.00 -0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.48 2ba3 h ASP 27 Cb 0.19 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.13 2ba3 h ASP 27 CO 0.00 0.24 0.34 -0.08 -2.88 0.00 0.00 179.24 176.86 2ba3 h GLU 28 N 0.40 0.64 0.22 0.28 4.81 -0.91 0.23 114.58 120.24 2ba3 h GLU 28 Ca 0.12 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2ba3 h GLU 28 Cb -0.03 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.21 2ba3 h GLU 28 CO -0.04 0.42 -0.10 1.15 -0.73 0.00 0.00 179.01 179.71 2ba3 h THR 29 N 0.66 0.80 -0.43 0.32 2.02 -0.81 -0.02 112.91 115.45 2ba3 h THR 29 Ca 0.24 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.39 2ba3 h THR 29 Cb 0.06 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 2ba3 h THR 29 CO -0.12 0.01 0.26 0.40 0.37 0.00 0.00 175.52 176.44 2ba3 h ILE 30 N -0.31 1.06 -0.85 3.11 2.04 -0.81 -0.51 117.51 121.23 2ba3 h ILE 30 Ca -0.03 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 2ba3 h ILE 30 Cb 0.24 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 2ba3 h ILE 30 CO 0.05 0.10 0.50 -0.09 0.00 0.00 0.00 178.15 178.71 2ba3 h ARG 31 N 0.53 1.16 0.16 2.37 2.43 -0.36 -0.05 114.38 120.63 2ba3 h ARG 31 Ca 0.17 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2ba3 h ARG 31 Cb -0.01 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.30 2ba3 h ARG 31 CO -0.07 0.83 -0.08 0.87 -1.51 0.00 0.00 179.97 180.02 2ba3 h LYS 32 N 1.17 -0.20 -0.62 0.20 6.56 -0.56 -2.13 116.57 120.99 2ba3 h LYS 32 Ca 0.30 0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.90 2ba3 h LYS 32 Cb -0.03 0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 31.65 2ba3 h LYS 32 CO -0.05 0.17 0.37 0.87 -2.06 0.00 0.00 179.45 178.74 2ba3 h LYS 33 N -0.63 0.85 0.20 3.15 1.57 -1.01 0.23 116.57 120.93 2ba3 h LYS 33 Ca -0.02 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2ba3 h LYS 33 Cb 0.47 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2ba3 h LYS 33 CO 0.04 0.61 -0.23 0.00 -0.57 0.00 0.00 179.45 179.30 2ba3 h ALA 34 N 1.19 -0.45 -0.71 3.86 0.00 -1.06 -0.06 119.26 122.03 2ba3 h ALA 34 Ca 0.22 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2ba3 h ALA 34 Cb -0.01 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2ba3 h ALA 34 CO -0.04 -0.79 0.31 1.49 0.00 0.00 0.00 179.25 180.22 2ba3 h GLU 35 N -0.48 1.04 -0.76 0.00 4.81 -1.16 -0.31 114.58 117.72 2ba3 h GLU 35 Ca 0.01 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 2ba3 h GLU 35 Cb 0.46 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 2ba3 h GLU 35 CO -0.08 0.84 0.32 0.22 -0.73 0.00 0.00 179.01 179.58 2ba3 h ASP 36 N 1.00 1.04 0.92 1.04 3.58 -0.80 -0.40 116.42 122.80 2ba3 h ASP 36 Ca 0.24 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2ba3 h ASP 36 Cb 0.17 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.95 2ba3 h ASP 36 CO -0.02 0.91 0.00 -0.24 -2.88 0.00 0.00 179.24 177.01 2ba3 n SER 37 N -4.29 0.00 -1.66 2.28 2.88 -0.05 -4.92 113.62 107.86 2ba3 n SER 37 Ca 0.07 0.47 -0.16 0.00 -1.33 0.00 0.00 58.87 57.91 2ba3 n SER 37 Cb 0.18 -0.49 -0.03 0.00 -0.75 0.00 0.00 64.21 63.12 2ba3 n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ba3 n GLY 38 N 1.32 0.26 3.34 0.46 0.00 -0.16 -5.01 105.19 105.41 2ba3 n GLY 38 Ca 0.07 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 2ba3 n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ba3 s LEU 39 N -4.34 2.25 0.68 0.99 1.43 -0.57 -5.00 118.68 114.12 2ba3 s LEU 39 Ca 0.00 -0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 52.52 2ba3 s LEU 39 Cb 0.00 -1.41 -0.01 0.00 0.03 0.00 0.00 46.19 44.79 2ba3 s LEU 39 CO 0.00 0.30 1.00 1.07 0.23 0.00 0.00 176.35 178.94 2ba3 n THR 40 N 2.61 3.34 -0.29 5.49 5.66 -1.26 -4.07 114.28 125.76 2ba3 n THR 40 Ca -0.17 -0.42 0.16 0.00 -3.05 0.00 0.00 64.05 60.56 2ba3 n THR 40 Cb 0.52 -1.15 0.42 0.00 -1.55 0.00 0.00 70.33 68.56 2ba3 n THR 40 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2ba3 h VAL 41 N 0.03 0.72 -0.04 1.08 2.07 -1.91 0.18 116.25 118.38 2ba3 h VAL 41 Ca -0.48 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 2ba3 h VAL 41 Cb 1.34 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2ba3 h VAL 41 CO 0.49 0.11 -0.08 0.28 0.02 0.00 0.00 177.57 178.38 2ba3 h SER 42 N 0.59 0.05 0.08 0.57 0.02 -2.00 0.53 113.55 113.40 2ba3 h SER 42 Ca 0.51 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 61.30 2ba3 h SER 42 Cb 0.99 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.53 2ba3 h SER 42 CO -0.25 0.14 -0.70 0.00 -1.14 0.00 0.00 176.83 174.88 2ba3 h ALA 43 N 1.87 0.01 -0.27 3.77 0.00 -1.06 -3.18 119.26 120.40 2ba3 h ALA 43 Ca 0.01 -0.74 0.07 0.00 0.00 0.00 0.00 54.91 54.24 2ba3 h ALA 43 Cb 0.18 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 2ba3 h ALA 43 CO 0.01 0.36 -0.22 -0.92 0.00 0.00 0.00 179.25 178.48 2ba3 h TYR 44 N -0.60 -0.58 0.19 0.00 3.20 -0.62 -0.09 116.97 118.46 2ba3 h TYR 44 Ca -0.14 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.77 2ba3 h TYR 44 Cb 1.44 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 39.99 2ba3 h TYR 44 CO 0.20 -0.30 -0.31 0.82 -1.64 0.00 0.00 178.16 176.93 2ba3 h ILE 45 N -0.21 0.00 -0.42 1.81 1.08 -1.05 -0.46 117.51 118.26 2ba3 h ILE 45 Ca 0.15 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.69 2ba3 h ILE 45 Cb 0.44 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.13 2ba3 h ILE 45 CO -0.40 0.00 0.08 0.08 -0.69 0.00 0.00 178.15 177.22 2ba3 h ARG 46 N -0.53 0.20 -0.08 2.37 0.11 -1.49 -0.44 114.38 114.51 2ba3 h ARG 46 Ca -0.02 -0.01 0.01 0.00 0.10 0.00 0.00 59.98 60.06 2ba3 h ARG 46 Cb 0.49 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.52 2ba3 h ARG 46 CO -0.11 0.13 -0.00 -0.97 0.10 0.00 0.00 179.97 179.12 2ba3 h ASN 47 N 0.20 -0.03 0.06 0.08 -1.24 -0.85 -0.22 115.58 113.59 2ba3 h ASN 47 Ca 0.21 0.02 -0.06 0.00 0.71 0.00 0.00 56.30 57.18 2ba3 h ASN 47 Cb 0.26 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.33 2ba3 h ASN 47 CO -0.28 -0.00 -0.17 0.00 -1.29 0.00 0.00 177.43 175.69 2ba3 h ALA 48 N 1.07 1.46 -0.00 1.57 0.00 -0.81 -2.55 119.26 120.00 2ba3 h ALA 48 Ca 0.04 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.49 2ba3 h ALA 48 Cb 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2ba3 h ALA 48 CO -0.06 0.38 -0.93 0.00 0.00 0.00 0.00 179.25 178.63 2ba3 h ALA 49 N 1.62 0.37 0.06 0.00 0.00 -0.53 -3.36 119.26 117.42 2ba3 h ALA 49 Ca 0.04 -0.71 -0.16 0.00 0.00 0.00 0.00 54.91 54.08 2ba3 h ALA 49 Cb 0.44 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.22 2ba3 h ALA 49 CO 0.03 0.82 -0.67 -0.07 0.00 0.00 0.00 179.25 179.36 2ba3 h LEU 50 N 0.23 0.49 0.00 0.00 3.38 -0.91 -3.51 115.31 114.98 2ba3 h LEU 50 Ca -0.08 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.05 2ba3 h LEU 50 Cb 1.57 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2ba3 h LEU 50 CO 0.16 1.28 0.00 0.59 0.09 0.00 0.00 178.44 180.56