#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 0.21 0.23 4.04 1.47 -1.26 -5.02 116.67 116.34 2ba3 s ASP 2 Ca 0.00 -1.17 -0.12 0.00 1.18 0.00 0.00 52.55 52.44 2ba3 s ASP 2 Cb 0.00 0.78 -0.01 0.00 -0.34 0.00 0.00 42.92 43.35 2ba3 s ASP 2 CO 0.00 -1.53 0.42 -0.44 0.68 0.00 0.00 175.17 174.30 2ba3 s SER 3 N -3.10 -0.07 0.00 2.11 0.01 -0.78 -5.03 113.70 106.85 2ba3 s SER 3 Ca 0.19 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.53 2ba3 s SER 3 Cb -0.04 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.74 2ba3 s SER 3 CO 0.13 -1.07 0.93 0.00 0.41 0.00 0.00 173.24 173.64 2ba3 n ALA 4 N -0.34 -0.34 1.63 1.44 0.00 -1.26 -2.81 120.51 118.83 2ba3 n ALA 4 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.45 2ba3 n ALA 4 Cb 0.62 0.10 0.21 0.00 0.00 0.00 0.00 19.45 20.39 2ba3 n ALA 4 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2ba3 n VAL 5 N -2.00 0.00 -3.34 0.00 0.24 -1.26 -4.18 118.33 107.78 2ba3 n VAL 5 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 2ba3 n VAL 5 Cb 0.00 -0.23 -0.09 0.00 -1.47 0.00 0.00 33.84 32.05 2ba3 n VAL 5 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2ba3 n ARG 6 N -0.64 0.21 -0.63 7.34 1.74 -1.12 -4.93 116.66 118.63 2ba3 n ARG 6 Ca 0.05 -3.08 0.05 0.00 -0.77 0.00 0.00 57.85 54.10 2ba3 n ARG 6 Cb 0.02 -1.65 0.09 0.00 -1.02 0.00 0.00 32.46 29.90 2ba3 n ARG 6 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2ba3 n LYS 7 N 2.85 0.68 0.00 5.56 4.81 -1.23 -1.86 118.16 128.96 2ba3 n LYS 7 Ca 0.29 -2.14 0.01 0.00 -0.87 0.00 0.00 58.31 55.60 2ba3 n LYS 7 Cb 0.49 -0.90 0.07 0.00 0.02 0.00 0.00 35.03 34.71 2ba3 n LYS 7 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2ba3 n LYS 8 N -0.52 0.53 0.31 1.64 -0.00 -1.26 -3.76 118.16 115.10 2ba3 n LYS 8 Ca 0.10 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.25 2ba3 n LYS 8 Cb 0.78 -1.07 -0.08 0.00 -0.00 0.00 0.00 35.03 34.66 2ba3 n LYS 8 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2ba3 h SER 9 N 0.00 -0.65 -5.02 -5.58 4.64 -1.95 -3.48 113.55 101.51 2ba3 h SER 9 Ca 0.00 -0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2ba3 h SER 9 Cb 0.00 0.17 -0.09 0.00 -0.31 0.00 0.00 62.40 62.16 2ba3 h SER 9 CO 0.00 -0.37 0.17 -0.70 -0.87 0.00 0.00 176.83 175.06 2ba3 s GLU 10 N -5.48 1.46 0.00 4.77 2.12 -1.25 -5.13 118.70 115.19 2ba3 s GLU 10 Ca -0.16 -0.73 0.00 0.00 0.36 0.00 0.00 54.97 54.44 2ba3 s GLU 10 Cb 0.03 0.58 0.00 0.00 0.26 0.00 0.00 34.13 35.00 2ba3 s GLU 10 CO 0.57 -0.64 0.00 0.28 -0.54 0.00 0.00 175.26 174.93 2ba3 n VAL 11 N -0.39 0.00 -3.55 3.70 0.31 -1.26 -5.03 118.33 112.11 2ba3 n VAL 11 Ca -0.11 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.11 2ba3 n VAL 11 Cb 0.63 -0.01 -0.03 0.00 -0.91 0.00 0.00 33.84 33.52 2ba3 n VAL 11 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ba3 s ARG 12 N 0.00 1.27 -0.96 5.55 1.70 -1.26 -5.08 118.95 120.17 2ba3 s ARG 12 Ca 0.00 -0.62 -0.24 0.00 -0.47 0.00 0.00 55.73 54.40 2ba3 s ARG 12 Cb 0.00 0.55 0.04 0.00 -0.57 0.00 0.00 34.95 34.97 2ba3 s ARG 12 CO 0.00 -0.54 1.48 -0.65 -1.08 0.00 0.00 175.30 174.51 2ba3 s GLN 13 N -3.79 3.41 0.15 3.89 -1.52 -1.26 -4.80 119.66 115.74 2ba3 s GLN 13 Ca 0.03 -0.86 -0.16 0.00 -1.95 0.00 0.00 55.36 52.42 2ba3 s GLN 13 Cb -0.01 -5.12 0.05 0.00 -0.22 0.00 0.00 33.01 27.71 2ba3 s GLN 13 CO -0.10 -2.32 1.76 1.57 -0.25 0.00 0.00 175.29 175.95 2ba3 h LYS 14 N 10.09 0.31 -7.23 2.91 2.10 -2.07 -3.42 116.57 119.25 2ba3 h LYS 14 Ca 0.10 -0.02 -0.48 0.00 -2.00 0.00 0.00 60.65 58.25 2ba3 h LYS 14 Cb 1.02 -0.07 0.03 0.00 -0.90 0.00 0.00 32.23 32.31 2ba3 h LYS 14 CO 1.38 0.20 0.39 -0.08 -2.00 0.00 0.00 179.45 179.34 2ba3 s THR 15 N -6.16 4.49 -0.15 0.07 -1.32 -1.26 -5.06 115.64 106.25 2ba3 s THR 15 Ca -0.13 1.10 -0.06 0.00 -1.21 0.00 0.00 61.69 61.39 2ba3 s THR 15 Cb 0.12 -3.71 -0.04 0.00 -1.51 0.00 0.00 72.50 67.36 2ba3 s THR 15 CO 0.71 -0.78 0.06 -0.69 -2.21 0.00 0.00 174.62 171.72 2ba3 s VAL 16 N -2.74 4.79 -0.21 5.08 1.01 -1.26 -5.08 120.40 121.99 2ba3 s VAL 16 Ca 0.58 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.52 2ba3 s VAL 16 Cb -0.11 -3.11 0.05 0.00 0.00 0.00 0.00 36.38 33.22 2ba3 s VAL 16 CO 0.37 0.53 -0.05 0.54 0.00 0.00 0.00 175.10 176.49 2ba3 s VAL 17 N -0.21 1.33 0.05 2.92 0.11 -1.26 -5.11 120.40 118.23 2ba3 s VAL 17 Ca 0.08 -0.99 -0.03 0.00 -2.93 0.00 0.00 61.98 58.11 2ba3 s VAL 17 Cb -0.12 -1.59 -0.03 0.00 -1.53 0.00 0.00 36.38 33.12 2ba3 s VAL 17 CO 0.01 -0.04 0.02 -0.60 -3.33 0.00 0.00 175.10 171.17 2ba3 s ARG 18 N 1.50 0.60 -0.42 1.54 3.52 -1.26 -5.12 118.95 119.31 2ba3 s ARG 18 Ca -0.03 -1.01 -0.18 0.00 -0.13 0.00 0.00 55.73 54.37 2ba3 s ARG 18 Cb -0.18 0.22 0.02 0.00 -1.56 0.00 0.00 34.95 33.46 2ba3 s ARG 18 CO -0.07 -0.13 0.48 0.99 -0.81 0.00 0.00 175.30 175.76 2ba3 s THR 19 N -3.34 5.03 0.00 4.11 2.01 -1.26 -5.06 115.64 117.14 2ba3 s THR 19 Ca 0.01 -0.25 -0.00 0.00 0.31 0.00 0.00 61.69 61.76 2ba3 s THR 19 Cb 0.03 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 2ba3 s THR 19 CO -0.08 -0.46 0.09 -0.22 -0.69 0.00 0.00 174.62 173.26 2ba3 s LEU 20 N 2.28 3.91 0.21 4.42 2.96 -1.26 -5.13 118.68 126.07 2ba3 s LEU 20 Ca 0.14 0.14 0.07 0.00 -0.22 0.00 0.00 54.13 54.26 2ba3 s LEU 20 Cb -0.16 -2.31 -0.05 0.00 0.50 0.00 0.00 46.19 44.16 2ba3 s LEU 20 CO 0.15 0.26 -0.11 -0.13 -1.32 0.00 0.00 176.35 175.20 2ba3 s ARG 21 N -1.81 1.32 0.09 1.98 0.52 -1.26 -5.17 118.95 114.62 2ba3 s ARG 21 Ca 0.24 -1.60 -0.12 0.00 -0.52 0.00 0.00 55.73 53.72 2ba3 s ARG 21 Cb -0.12 -0.99 0.01 0.00 0.52 0.00 0.00 34.95 34.37 2ba3 s ARG 21 CO 0.15 0.12 0.27 -0.06 0.02 0.00 0.00 175.30 175.80 2ba3 s PHE 22 N -3.08 -0.00 0.71 -0.53 0.40 -1.26 -5.14 117.98 109.08 2ba3 s PHE 22 Ca 0.23 -0.34 -0.07 0.00 -0.60 0.00 0.00 56.93 56.15 2ba3 s PHE 22 Cb 0.01 0.06 0.06 0.00 0.51 0.00 0.00 43.02 43.67 2ba3 s PHE 22 CO 0.07 -0.58 1.03 -1.12 0.70 0.00 0.00 175.22 175.31 2ba3 s SER 23 N -2.69 4.80 0.42 1.36 0.01 -1.26 -4.88 113.70 111.46 2ba3 s SER 23 Ca 0.02 0.49 0.09 0.00 1.31 0.00 0.00 55.95 57.87 2ba3 s SER 23 Cb 0.03 -1.14 0.91 0.00 0.21 0.00 0.00 66.02 66.03 2ba3 s SER 23 CO -0.10 -1.62 2.03 1.55 0.41 0.00 0.00 173.24 175.51 2ba3 h PRO 24 N -0.63 0.34 0.59 12.44 0.13 -2.02 -1.48 132.00 141.36 2ba3 h PRO 24 Ca -0.45 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 2ba3 h PRO 24 Cb 1.32 -0.07 0.01 0.00 0.13 0.00 0.00 31.00 32.39 2ba3 h PRO 24 CO 0.61 0.30 -0.28 0.28 -0.23 0.00 0.00 178.00 178.67 2ba3 h VAL 25 N 0.34 0.20 -1.00 1.56 2.07 -1.99 -0.69 116.25 116.75 2ba3 h VAL 25 Ca 0.08 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 67.30 2ba3 h VAL 25 Cb 0.10 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 30.08 2ba3 h VAL 25 CO -0.01 0.03 0.64 -0.33 0.02 0.00 0.00 177.57 177.92 2ba3 h GLU 26 N -1.10 1.09 -0.48 1.57 3.07 -1.90 -1.29 114.58 115.53 2ba3 h GLU 26 Ca -0.08 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 58.65 2ba3 h GLU 26 Cb 0.66 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 2ba3 h GLU 26 CO 0.13 0.72 0.06 0.22 -1.40 0.00 0.00 179.01 178.74 2ba3 h ASP 27 N 1.12 0.79 0.27 1.42 3.58 -1.27 -1.32 116.42 121.01 2ba3 h ASP 27 Ca 0.44 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 2ba3 h ASP 27 Cb 0.24 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2ba3 h ASP 27 CO -0.19 0.87 -0.13 -0.08 -2.88 0.00 0.00 179.24 176.82 2ba3 h GLU 28 N 0.68 -0.34 0.36 0.28 4.81 -0.24 0.12 114.58 120.26 2ba3 h GLU 28 Ca 0.14 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2ba3 h GLU 28 Cb 0.43 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2ba3 h GLU 28 CO 0.01 -0.22 -0.34 1.15 -0.73 0.00 0.00 179.01 178.88 2ba3 h THR 29 N -0.37 0.29 -0.69 0.32 2.02 -1.24 -1.62 112.91 111.62 2ba3 h THR 29 Ca -0.04 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.17 2ba3 h THR 29 Cb 0.28 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 2ba3 h THR 29 CO 0.06 0.00 0.43 0.40 0.37 0.00 0.00 175.52 176.78 2ba3 h ILE 30 N -0.73 1.10 -0.33 3.11 2.04 -1.19 -0.06 117.51 121.46 2ba3 h ILE 30 Ca -0.03 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.56 2ba3 h ILE 30 Cb 0.65 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2ba3 h ILE 30 CO -0.05 0.16 0.19 -0.09 0.00 0.00 0.00 178.15 178.36 2ba3 h ARG 31 N 0.85 0.38 -0.53 2.37 2.43 -0.53 0.25 114.38 119.60 2ba3 h ARG 31 Ca 0.27 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.32 2ba3 h ARG 31 Cb 0.00 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 2ba3 h ARG 31 CO -0.10 0.25 -0.05 0.87 -1.51 0.00 0.00 179.97 179.43 2ba3 h LYS 32 N 0.39 0.97 -0.40 0.20 6.56 -0.88 -2.20 116.57 121.22 2ba3 h LYS 32 Ca 0.13 -0.34 -0.04 0.00 -1.06 0.00 0.00 60.65 59.34 2ba3 h LYS 32 Cb 0.01 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.57 2ba3 h LYS 32 CO -0.06 1.01 0.09 -0.22 -2.06 0.00 0.00 179.45 178.20 2ba3 h LYS 33 N 0.84 0.64 0.30 3.15 1.63 -0.69 -2.16 116.57 120.29 2ba3 h LYS 33 Ca 0.14 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2ba3 h LYS 33 Cb 0.60 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 2ba3 h LYS 33 CO 0.04 0.67 -0.14 0.00 -3.45 0.00 0.00 179.45 176.57 2ba3 h ALA 34 N 0.94 -0.40 -0.42 5.00 0.00 -0.93 -2.38 119.26 121.07 2ba3 h ALA 34 Ca 0.12 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2ba3 h ALA 34 Cb 0.32 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2ba3 h ALA 34 CO 0.00 -0.69 -0.03 1.49 0.00 0.00 0.00 179.25 180.03 2ba3 h GLU 35 N -0.48 0.70 -0.47 0.00 4.57 -1.41 -1.14 114.58 116.35 2ba3 h GLU 35 Ca -0.04 -0.19 -0.12 0.00 -1.18 0.00 0.00 59.36 57.84 2ba3 h GLU 35 Cb 0.36 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 2ba3 h GLU 35 CO 0.07 0.73 -0.16 0.22 -1.18 0.00 0.00 179.01 178.69 2ba3 h ASP 36 N 0.65 0.95 1.10 1.04 3.58 -1.39 -2.74 116.42 119.61 2ba3 h ASP 36 Ca 0.13 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2ba3 h ASP 36 Cb 0.45 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2ba3 h ASP 36 CO 0.02 1.11 0.00 -0.24 -2.88 0.00 0.00 179.24 177.26 2ba3 n SER 37 N -4.19 0.65 -1.74 2.28 2.88 -0.90 -4.91 113.62 107.68 2ba3 n SER 37 Ca -0.00 0.60 -0.10 0.00 -1.33 0.00 0.00 58.87 58.04 2ba3 n SER 37 Cb 0.42 -0.76 0.03 0.00 -0.75 0.00 0.00 64.21 63.15 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 0.76 0.35 3.10 0.46 0.00 -0.60 -5.05 105.19 104.22 2ba3 n GLY 38 Ca 0.04 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.54 1.92 0.66 0.99 1.43 -0.53 -5.04 118.68 114.57 2ba3 s LEU 39 Ca 0.24 -0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 52.91 2ba3 s LEU 39 Cb -0.10 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 45.31 2ba3 s LEU 39 CO 0.29 0.14 1.10 0.28 0.23 0.00 0.00 176.35 178.39 2ba3 s THR 40 N -0.07 3.36 0.28 5.49 -1.32 -1.26 -3.88 115.64 118.25 2ba3 s THR 40 Ca -0.00 0.61 0.02 0.00 -1.21 0.00 0.00 61.69 61.10 2ba3 s THR 40 Cb -0.09 -3.13 0.27 0.00 -1.51 0.00 0.00 72.50 68.04 2ba3 s THR 40 CO 0.01 -0.42 1.79 0.58 -2.21 0.00 0.00 174.62 174.37 2ba3 h VAL 41 N -0.06 0.79 -0.28 5.08 2.07 -1.91 0.15 116.25 122.09 2ba3 h VAL 41 Ca -0.46 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 2ba3 h VAL 41 Cb 1.24 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2ba3 h VAL 41 CO 0.54 0.14 0.14 0.77 0.02 0.00 0.00 177.57 179.19 2ba3 h SER 42 N 0.79 0.36 -0.38 0.57 4.64 -2.00 -0.46 113.55 117.07 2ba3 h SER 42 Ca 0.51 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.70 2ba3 h SER 42 Cb 0.67 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 2ba3 h SER 42 CO -0.33 0.36 0.12 0.00 -0.87 0.00 0.00 176.83 176.11 2ba3 h ALA 43 N 1.01 0.49 -0.37 5.18 0.00 -1.68 -2.51 119.26 121.39 2ba3 h ALA 43 Ca 0.10 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.91 2ba3 h ALA 43 Cb 0.09 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 2ba3 h ALA 43 CO -0.01 0.13 0.01 -0.92 0.00 0.00 0.00 179.25 178.46 2ba3 h TYR 44 N 0.46 -0.00 0.31 0.00 3.20 -0.45 0.17 116.97 120.66 2ba3 h TYR 44 Ca 0.12 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 2ba3 h TYR 44 Cb 0.24 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2ba3 h TYR 44 CO 0.01 -0.06 -0.24 0.82 -1.64 0.00 0.00 178.16 177.05 2ba3 h ILE 45 N 0.11 0.00 -1.01 1.81 1.08 -0.92 0.10 117.51 118.68 2ba3 h ILE 45 Ca 0.18 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.71 2ba3 h ILE 45 Cb 0.24 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 33.93 2ba3 h ILE 45 CO -0.29 0.00 0.65 0.08 -0.69 0.00 0.00 178.15 177.90 2ba3 h ARG 46 N -0.53 1.16 0.57 2.37 0.11 -1.37 -0.64 114.38 116.05 2ba3 h ARG 46 Ca -0.04 -0.07 -0.02 0.00 0.10 0.00 0.00 59.98 59.95 2ba3 h ARG 46 Cb 0.44 -0.26 -0.01 0.00 1.11 0.00 0.00 29.97 31.25 2ba3 h ARG 46 CO 0.01 0.77 -0.35 -0.97 0.10 0.00 0.00 179.97 179.52 2ba3 h ASN 47 N 1.20 -0.89 -0.42 0.08 -1.24 -0.52 -2.08 115.58 111.71 2ba3 h ASN 47 Ca 0.43 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.49 2ba3 h ASN 47 Cb 0.14 0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.43 2ba3 h ASN 47 CO -0.16 -0.55 0.27 0.00 -1.29 0.00 0.00 177.43 175.70 2ba3 h ALA 48 N -0.52 1.69 0.00 1.57 0.00 -0.69 -0.30 119.26 121.01 2ba3 h ALA 48 Ca -0.07 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2ba3 h ALA 48 Cb 0.71 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2ba3 h ALA 48 CO 0.07 0.29 -0.26 0.00 0.00 0.00 0.00 179.25 179.34 2ba3 h ALA 49 N 1.73 1.25 0.00 0.00 0.00 -0.70 -3.24 119.26 118.29 2ba3 h ALA 49 Ca 0.15 -0.24 -0.37 0.00 0.00 0.00 0.00 54.91 54.46 2ba3 h ALA 49 Cb -0.06 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 2ba3 h ALA 49 CO -0.03 0.33 -2.38 1.28 0.00 0.00 0.00 179.25 178.45 2ba3 n LEU 50 N -3.77 0.47 -0.03 0.00 4.77 -0.82 -5.08 117.00 112.55 2ba3 n LEU 50 Ca -0.01 -0.02 0.16 0.00 -0.03 0.00 0.00 56.01 56.10 2ba3 n LEU 50 Cb 0.36 0.27 0.93 0.00 -2.33 0.00 0.00 43.42 42.65 2ba3 n LEU 50 CO 0.35 0.56 1.10 0.59 -1.33 0.00 0.00 177.39 178.65