#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ba3 s ASP 2 N 0.00 6.33 -0.18 6.43 1.11 -1.26 -4.92 116.67 124.18 2ba3 s ASP 2 Ca 0.00 -2.12 -0.02 0.00 0.18 0.00 0.00 52.55 50.60 2ba3 s ASP 2 Cb 0.00 -2.58 -0.00 0.00 1.07 0.00 0.00 42.92 41.40 2ba3 s ASP 2 CO 0.00 -1.70 -0.10 -0.44 1.18 0.00 0.00 175.17 174.11 2ba3 s SER 3 N 4.94 3.96 -0.05 0.27 0.01 -1.26 -5.11 113.70 116.47 2ba3 s SER 3 Ca 0.57 -0.42 -0.06 0.00 1.31 0.00 0.00 55.95 57.35 2ba3 s SER 3 Cb 0.02 -1.64 0.01 0.00 0.21 0.00 0.00 66.02 64.62 2ba3 s SER 3 CO 0.07 0.05 0.15 0.00 0.41 0.00 0.00 173.24 173.92 2ba3 s ALA 4 N 1.06 -0.36 0.04 1.44 0.00 -1.26 -5.17 121.76 117.51 2ba3 s ALA 4 Ca -0.00 0.32 -0.01 0.00 0.00 0.00 0.00 51.96 52.28 2ba3 s ALA 4 Cb -0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 2ba3 s ALA 4 CO -0.02 -0.10 -0.03 0.14 0.00 0.00 0.00 175.76 175.76 2ba3 s VAL 5 N -0.18 0.17 -0.02 0.00 -7.23 -1.26 -5.04 120.40 106.84 2ba3 s VAL 5 Ca -0.03 -1.44 0.08 0.00 -1.81 0.00 0.00 61.98 58.78 2ba3 s VAL 5 Cb -0.02 -1.01 0.14 0.00 0.56 0.00 0.00 36.38 36.04 2ba3 s VAL 5 CO 0.00 -0.79 1.06 0.54 -0.31 0.00 0.00 175.10 175.60 2ba3 n ARG 6 N 0.71 0.17 -0.94 4.82 5.12 -1.26 -5.11 116.66 120.18 2ba3 n ARG 6 Ca -0.18 -1.45 -0.30 0.00 -1.93 0.00 0.00 57.85 53.99 2ba3 n ARG 6 Cb 0.59 -0.52 0.16 0.00 -1.16 0.00 0.00 32.46 31.53 2ba3 n ARG 6 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2ba3 s LYS 7 N -0.38 0.84 0.13 5.56 -0.14 -1.26 -5.08 119.74 119.41 2ba3 s LYS 7 Ca 0.12 1.06 0.02 0.00 -1.36 0.00 0.00 55.97 55.81 2ba3 s LYS 7 Cb 0.12 -1.74 -0.04 0.00 -1.68 0.00 0.00 37.83 34.49 2ba3 s LYS 7 CO -0.04 -2.60 -0.05 0.15 -0.76 0.00 0.00 175.35 172.06 2ba3 s LYS 8 N -4.76 0.94 0.00 1.68 1.02 -1.26 -5.07 119.74 112.29 2ba3 s LYS 8 Ca 0.65 -1.41 0.00 0.00 0.02 0.00 0.00 55.97 55.23 2ba3 s LYS 8 Cb -0.21 -0.26 0.00 0.00 -0.52 0.00 0.00 37.83 36.84 2ba3 s LYS 8 CO 0.59 -0.04 0.01 -1.13 -0.92 0.00 0.00 175.35 173.85 2ba3 n SER 9 N -0.12 0.02 -4.87 2.83 3.41 -1.26 -5.09 113.62 108.54 2ba3 n SER 9 Ca -0.10 -0.84 -0.33 0.00 -0.26 0.00 0.00 58.87 57.34 2ba3 n SER 9 Cb 0.61 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.52 2ba3 n SER 9 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2ba3 s GLU 10 N -0.00 3.80 0.00 4.33 1.03 -1.26 -4.93 118.70 121.66 2ba3 s GLU 10 Ca 0.00 0.25 0.00 0.00 0.03 0.00 0.00 54.97 55.25 2ba3 s GLU 10 Cb 0.00 -2.79 0.00 0.00 -0.80 0.00 0.00 34.13 30.54 2ba3 s GLU 10 CO 0.00 0.41 0.00 1.55 -1.33 0.00 0.00 175.26 175.89 2ba3 n VAL 11 N 0.25 0.00 -4.07 1.83 3.14 -1.26 -5.06 118.33 113.16 2ba3 n VAL 11 Ca -0.02 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.03 2ba3 n VAL 11 Cb 0.52 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.29 2ba3 n VAL 11 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2ba3 n ARG 12 N -0.05 -3.93 -3.92 1.45 3.00 -1.26 -4.97 116.66 106.98 2ba3 n ARG 12 Ca 0.00 0.45 -0.35 0.00 -0.01 0.00 0.00 57.85 57.94 2ba3 n ARG 12 Cb 0.00 -5.11 -0.14 0.00 0.00 0.00 0.00 32.46 27.21 2ba3 n ARG 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 2ba3 s GLN 13 N -6.74 3.11 0.03 5.56 0.74 -1.26 -4.98 119.66 116.12 2ba3 s GLN 13 Ca 0.56 -0.80 0.06 0.00 0.05 0.00 0.00 55.36 55.23 2ba3 s GLN 13 Cb -0.30 -3.02 -0.24 0.00 1.10 0.00 0.00 33.01 30.56 2ba3 s GLN 13 CO 0.89 -0.31 0.96 1.57 -0.55 0.00 0.00 175.29 177.85 2ba3 h LYS 14 N 8.08 0.07 0.00 1.67 2.10 -2.08 -3.46 116.57 122.94 2ba3 h LYS 14 Ca -0.37 -0.12 -0.18 0.00 -2.00 0.00 0.00 60.65 57.98 2ba3 h LYS 14 Cb 1.13 0.04 0.07 0.00 -0.90 0.00 0.00 32.23 32.58 2ba3 h LYS 14 CO 0.59 0.87 0.17 -2.37 -2.00 0.00 0.00 179.45 176.71 2ba3 n THR 15 N -3.28 0.00 -4.17 0.07 5.66 -1.26 -5.12 114.28 106.18 2ba3 n THR 15 Ca -0.10 -0.41 -0.17 0.00 -3.05 0.00 0.00 64.05 60.32 2ba3 n THR 15 Cb 1.01 -1.79 -0.12 0.00 -1.55 0.00 0.00 70.33 67.88 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 -2.19 0.90 -0.14 1.08 1.01 -1.26 -5.13 120.40 114.67 2ba3 s VAL 16 Ca 0.31 -1.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 2ba3 s VAL 16 Cb -0.01 -0.88 0.05 0.00 0.00 0.00 0.00 36.38 35.54 2ba3 s VAL 16 CO 0.22 -0.22 0.07 0.54 0.00 0.00 0.00 175.10 175.71 2ba3 s VAL 17 N -1.17 0.00 0.33 2.92 0.11 -1.26 -5.14 120.40 116.19 2ba3 s VAL 17 Ca -0.04 -0.05 0.06 0.00 -2.93 0.00 0.00 61.98 59.02 2ba3 s VAL 17 Cb -0.09 -0.52 -0.03 0.00 -1.53 0.00 0.00 36.38 34.21 2ba3 s VAL 17 CO 0.01 -0.13 0.30 -0.60 -3.33 0.00 0.00 175.10 171.35 2ba3 s ARG 18 N 2.10 1.75 -0.30 1.54 3.52 -1.26 -5.14 118.95 121.17 2ba3 s ARG 18 Ca 0.03 -1.97 0.00 0.00 -0.13 0.00 0.00 55.73 53.65 2ba3 s ARG 18 Cb -0.15 0.34 0.06 0.00 -1.56 0.00 0.00 34.95 33.64 2ba3 s ARG 18 CO -0.07 -0.66 -0.01 0.99 -0.81 0.00 0.00 175.30 174.74 2ba3 s THR 19 N -3.43 2.69 -0.58 4.11 2.01 -1.26 -5.07 115.64 114.11 2ba3 s THR 19 Ca 0.40 -1.63 -0.18 0.00 0.31 0.00 0.00 61.69 60.59 2ba3 s THR 19 Cb 0.02 -2.63 0.11 0.00 0.01 0.00 0.00 72.50 70.02 2ba3 s THR 19 CO 0.26 -0.19 0.64 -0.22 -0.69 0.00 0.00 174.62 174.43 2ba3 s LEU 20 N 1.16 5.67 0.49 4.42 1.98 -1.26 -5.05 118.68 126.09 2ba3 s LEU 20 Ca -0.04 -1.58 -0.15 0.00 -2.89 0.00 0.00 54.13 49.48 2ba3 s LEU 20 Cb -0.20 -2.27 -0.07 0.00 0.66 0.00 0.00 46.19 44.31 2ba3 s LEU 20 CO -0.03 -1.03 0.93 -0.13 -1.89 0.00 0.00 176.35 174.20 2ba3 s ARG 21 N 2.30 3.88 0.02 1.98 1.81 -1.26 -5.10 118.95 122.58 2ba3 s ARG 21 Ca 0.09 0.81 -0.12 0.00 -1.72 0.00 0.00 55.73 54.79 2ba3 s ARG 21 Cb -0.26 -2.20 0.01 0.00 -0.45 0.00 0.00 34.95 32.06 2ba3 s ARG 21 CO 0.05 -0.23 0.25 -0.06 -0.68 0.00 0.00 175.30 174.63 2ba3 s PHE 22 N -2.59 -0.05 0.76 -0.53 0.08 -1.26 -5.13 117.98 109.25 2ba3 s PHE 22 Ca 0.57 -0.04 -0.12 0.00 0.12 0.00 0.00 56.93 57.45 2ba3 s PHE 22 Cb -0.10 0.03 0.05 0.00 -0.57 0.00 0.00 43.02 42.43 2ba3 s PHE 22 CO 0.33 -0.42 1.13 -1.12 -0.10 0.00 0.00 175.22 175.04 2ba3 s SER 23 N -1.78 4.92 0.16 1.36 0.01 -1.26 -4.88 113.70 112.24 2ba3 s SER 23 Ca -0.09 0.99 -0.13 0.00 1.31 0.00 0.00 55.95 58.03 2ba3 s SER 23 Cb -0.03 -1.64 0.06 0.00 0.21 0.00 0.00 66.02 64.61 2ba3 s SER 23 CO -0.01 -1.67 1.71 1.55 0.41 0.00 0.00 173.24 175.24 2ba3 h PRO 24 N -0.88 0.84 -0.56 12.44 0.13 -2.02 -1.62 132.00 140.32 2ba3 h PRO 24 Ca -0.46 -0.16 -0.10 0.00 -0.87 0.00 0.00 66.00 64.41 2ba3 h PRO 24 Cb 1.29 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2ba3 h PRO 24 CO 0.64 0.73 -0.05 0.28 -0.23 0.00 0.00 178.00 179.38 2ba3 h VAL 25 N 0.76 1.26 -0.66 1.56 2.07 -1.98 -0.08 116.25 119.18 2ba3 h VAL 25 Ca 0.18 -1.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.47 2ba3 h VAL 25 Cb 0.22 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2ba3 h VAL 25 CO -0.01 0.42 0.23 -0.33 0.02 0.00 0.00 177.57 177.90 2ba3 h GLU 26 N 0.91 1.01 -0.12 1.57 5.08 -1.88 -1.84 114.58 119.31 2ba3 h GLU 26 Ca 0.15 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2ba3 h GLU 26 Cb 0.60 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2ba3 h GLU 26 CO 0.04 0.87 -0.05 0.22 -1.00 0.00 0.00 179.01 179.08 2ba3 h ASP 27 N 0.95 0.26 -0.54 1.42 3.58 -1.07 -1.42 116.42 119.59 2ba3 h ASP 27 Ca 0.22 -0.41 0.05 0.00 0.42 0.00 0.00 57.03 57.32 2ba3 h ASP 27 Cb 0.26 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 2ba3 h ASP 27 CO -0.01 0.61 0.36 -0.33 -2.88 0.00 0.00 179.24 176.99 2ba3 h GLU 28 N -0.09 0.51 0.43 0.28 4.39 -0.91 0.29 114.58 119.49 2ba3 h GLU 28 Ca 0.03 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2ba3 h GLU 28 Cb 0.51 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2ba3 h GLU 28 CO 0.02 0.34 -0.21 1.15 -1.16 0.00 0.00 179.01 179.15 2ba3 h THR 29 N 0.53 0.00 -0.76 1.13 2.02 -1.20 -2.57 112.91 112.05 2ba3 h THR 29 Ca 0.23 -0.51 0.03 0.00 0.77 0.00 0.00 66.41 66.94 2ba3 h THR 29 Cb 0.25 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.62 2ba3 h THR 29 CO -0.06 0.00 0.49 0.40 0.37 0.00 0.00 175.52 176.71 2ba3 h ILE 30 N -1.09 1.12 -0.38 3.11 2.04 -1.00 -0.66 117.51 120.65 2ba3 h ILE 30 Ca -0.06 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 2ba3 h ILE 30 Cb 0.44 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 2ba3 h ILE 30 CO 0.10 0.17 0.11 -0.09 0.00 0.00 0.00 178.15 178.44 2ba3 h ARG 31 N 0.95 0.60 -0.26 2.37 2.43 -0.54 0.91 114.38 120.83 2ba3 h ARG 31 Ca 0.30 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 2ba3 h ARG 31 Cb 0.01 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2ba3 h ARG 31 CO -0.11 0.62 -0.10 0.87 -1.51 0.00 0.00 179.97 179.74 2ba3 h LYS 32 N 0.47 0.54 -0.27 0.20 6.56 -1.12 -1.49 116.57 121.45 2ba3 h LYS 32 Ca 0.12 -0.22 0.05 0.00 -1.06 0.00 0.00 60.65 59.53 2ba3 h LYS 32 Cb 0.28 -0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 31.88 2ba3 h LYS 32 CO -0.00 0.77 0.01 0.87 -2.06 0.00 0.00 179.45 179.04 2ba3 h LYS 33 N 0.27 0.09 0.35 3.15 1.79 -1.01 0.17 116.57 121.38 2ba3 h LYS 33 Ca 0.06 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.51 2ba3 h LYS 33 Cb 0.60 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.23 2ba3 h LYS 33 CO 0.03 0.06 -0.19 0.00 -1.08 0.00 0.00 179.45 178.27 2ba3 h ALA 34 N 1.23 -0.50 -0.90 3.86 0.00 -0.80 0.68 119.26 122.84 2ba3 h ALA 34 Ca 0.13 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2ba3 h ALA 34 Cb 0.16 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 2ba3 h ALA 34 CO -0.21 -0.79 0.57 1.49 0.00 0.00 0.00 179.25 180.31 2ba3 h GLU 35 N -0.50 1.03 -0.47 0.00 4.81 -1.01 0.54 114.58 118.98 2ba3 h GLU 35 Ca -0.04 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 58.99 2ba3 h GLU 35 Cb 0.40 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2ba3 h GLU 35 CO 0.06 0.68 -0.23 0.22 -0.73 0.00 0.00 179.01 179.01 2ba3 h ASP 36 N 1.06 1.01 1.01 1.04 3.58 -0.79 -2.31 116.42 121.02 2ba3 h ASP 36 Ca 0.38 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2ba3 h ASP 36 Cb 0.11 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.88 2ba3 h ASP 36 CO -0.15 1.19 0.00 -1.28 -2.88 0.00 0.00 179.24 176.12 2ba3 h SER 37 N 0.83 0.00 0.00 2.28 0.87 -0.19 -3.46 113.55 113.88 2ba3 h SER 37 Ca 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2ba3 h SER 37 Cb 0.81 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 2ba3 h SER 37 CO 0.07 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.98 2ba3 n GLY 38 N 0.40 0.73 3.54 5.77 0.00 0.12 -4.98 105.19 110.76 2ba3 n GLY 38 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 4.49 0.73 0.99 1.43 -0.85 -4.97 118.68 120.50 2ba3 s LEU 39 Ca 0.00 -0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 52.67 2ba3 s LEU 39 Cb 0.00 -2.39 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 2ba3 s LEU 39 CO 0.00 -0.40 0.57 1.07 0.23 0.00 0.00 176.35 177.82 2ba3 n THR 40 N 5.30 1.81 -0.31 5.49 5.66 -1.26 -4.18 114.28 126.79 2ba3 n THR 40 Ca -0.08 -0.39 0.18 0.00 -3.05 0.00 0.00 64.05 60.70 2ba3 n THR 40 Cb 0.49 -0.76 0.37 0.00 -1.55 0.00 0.00 70.33 68.87 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 -0.39 0.29 -0.36 1.08 2.07 -1.89 0.10 116.25 117.15 2ba3 h VAL 41 Ca -0.46 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 2ba3 h VAL 41 Cb 1.35 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2ba3 h VAL 41 CO 0.43 0.04 0.14 0.77 0.02 0.00 0.00 177.57 178.98 2ba3 h SER 42 N 0.24 0.50 -0.29 0.57 4.64 -1.99 -0.03 113.55 117.18 2ba3 h SER 42 Ca 0.63 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.74 2ba3 h SER 42 Cb 1.35 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 2ba3 h SER 42 CO -0.65 0.53 0.01 0.00 -0.87 0.00 0.00 176.83 175.85 2ba3 h ALA 43 N 0.99 0.39 -0.03 5.18 0.00 -1.27 -2.15 119.26 122.37 2ba3 h ALA 43 Ca 0.12 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2ba3 h ALA 43 Cb 0.19 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2ba3 h ALA 43 CO -0.01 0.12 -0.14 -0.92 0.00 0.00 0.00 179.25 178.30 2ba3 h TYR 44 N 0.30 -0.37 0.36 0.00 3.20 -0.78 0.96 116.97 120.66 2ba3 h TYR 44 Ca 0.08 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 2ba3 h TYR 44 Cb 0.41 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 2ba3 h TYR 44 CO 0.03 -0.21 -0.38 0.82 -1.64 0.00 0.00 178.16 176.78 2ba3 h ILE 45 N -0.22 0.00 -0.39 1.81 1.08 -0.95 0.02 117.51 118.85 2ba3 h ILE 45 Ca 0.06 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.55 2ba3 h ILE 45 Cb 0.30 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.02 2ba3 h ILE 45 CO -0.16 0.00 0.21 0.08 -0.69 0.00 0.00 178.15 177.59 2ba3 h ARG 46 N -0.74 0.41 0.22 2.37 0.11 -1.32 -0.63 114.38 114.80 2ba3 h ARG 46 Ca -0.05 -0.02 0.01 0.00 0.10 0.00 0.00 59.98 60.02 2ba3 h ARG 46 Cb 0.65 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 31.61 2ba3 h ARG 46 CO -0.05 0.27 -0.25 -0.97 0.10 0.00 0.00 179.97 179.06 2ba3 h ASN 47 N 0.42 -0.69 -0.37 0.08 -1.24 -0.68 -0.64 115.58 112.46 2ba3 h ASN 47 Ca 0.16 0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.24 2ba3 h ASN 47 Cb 0.05 0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.33 2ba3 h ASN 47 CO -0.10 -0.36 0.24 0.00 -1.29 0.00 0.00 177.43 175.91 2ba3 h ALA 48 N 0.15 1.71 -0.21 1.57 0.00 -0.83 0.87 119.26 122.52 2ba3 h ALA 48 Ca 0.00 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 2ba3 h ALA 48 Cb 0.50 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2ba3 h ALA 48 CO -0.08 0.26 -0.59 0.00 0.00 0.00 0.00 179.25 178.84 2ba3 h ALA 49 N 1.75 0.36 0.14 0.00 0.00 -0.59 -3.34 119.26 117.57 2ba3 h ALA 49 Ca 0.14 -0.53 -0.32 0.00 0.00 0.00 0.00 54.91 54.19 2ba3 h ALA 49 Cb -0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2ba3 h ALA 49 CO -0.03 0.60 -1.62 -0.07 0.00 0.00 0.00 179.25 178.13 2ba3 h LEU 50 N 0.51 0.45 -1.74 0.00 3.38 -0.88 -3.51 115.31 113.53 2ba3 h LEU 50 Ca -0.01 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.30 2ba3 h LEU 50 Cb 1.21 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2ba3 h LEU 50 CO 0.13 1.56 0.00 0.59 0.09 0.00 0.00 178.44 180.80