#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 -0.16 0.00 6.43 5.19 -2.11 -3.47 116.42 122.30 2ba3 h ASP 2 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2ba3 h ASP 2 Cb 0.00 0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.58 2ba3 h ASP 2 CO 0.00 -0.09 0.00 -1.54 -3.12 0.00 0.00 179.24 174.49 2ba3 n SER 3 N -5.17 0.00 -3.49 6.45 3.41 -1.26 -5.17 113.62 108.39 2ba3 n SER 3 Ca -0.06 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.39 2ba3 n SER 3 Cb 0.10 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.98 2ba3 n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ba3 s ALA 4 N -1.00 1.31 0.22 7.33 0.00 -1.26 -5.19 121.76 123.16 2ba3 s ALA 4 Ca 0.00 -1.78 -0.04 0.00 0.00 0.00 0.00 51.96 50.13 2ba3 s ALA 4 Cb 0.00 1.34 -0.03 0.00 0.00 0.00 0.00 23.12 24.44 2ba3 s ALA 4 CO 0.00 -0.70 0.24 0.54 0.00 0.00 0.00 175.76 175.84 2ba3 s VAL 5 N -3.46 0.00 0.09 0.00 0.11 -1.26 -5.18 120.40 110.70 2ba3 s VAL 5 Ca 0.36 -1.82 -0.02 0.00 -2.93 0.00 0.00 61.98 57.57 2ba3 s VAL 5 Cb 0.02 -2.41 -0.03 0.00 -1.53 0.00 0.00 36.38 32.42 2ba3 s VAL 5 CO 0.22 0.00 0.05 0.00 -3.33 0.00 0.00 175.10 172.04 2ba3 s ARG 6 N -4.08 0.79 0.16 1.54 1.70 -1.26 -5.18 118.95 112.62 2ba3 s ARG 6 Ca 0.34 -1.26 -0.24 0.00 -0.47 0.00 0.00 55.73 54.10 2ba3 s ARG 6 Cb 0.04 0.25 0.07 0.00 -0.57 0.00 0.00 34.95 34.75 2ba3 s ARG 6 CO 0.12 -0.20 1.02 -1.59 -1.08 0.00 0.00 175.30 173.56 2ba3 s LYS 7 N -3.96 1.22 0.21 3.89 -2.85 -1.26 -5.12 119.74 111.87 2ba3 s LYS 7 Ca 0.14 -0.74 -0.31 0.00 -1.00 0.00 0.00 55.97 54.05 2ba3 s LYS 7 Cb 0.07 0.37 -0.11 0.00 -2.06 0.00 0.00 37.83 36.11 2ba3 s LYS 7 CO -0.05 -0.57 1.62 0.15 0.10 0.00 0.00 175.35 176.60 2ba3 s LYS 8 N -2.67 4.17 0.02 1.78 1.02 -1.26 -4.88 119.74 117.92 2ba3 s LYS 8 Ca 0.17 2.48 -0.00 0.00 0.02 0.00 0.00 55.97 58.64 2ba3 s LYS 8 Cb -0.02 -3.10 -0.00 0.00 -0.52 0.00 0.00 37.83 34.19 2ba3 s LYS 8 CO 0.04 -0.65 -0.00 0.43 -0.92 0.00 0.00 175.35 174.25 2ba3 n SER 9 N 3.53 0.24 -3.95 2.83 7.64 -1.26 -5.13 113.62 117.52 2ba3 n SER 9 Ca 0.13 0.03 -0.13 0.00 1.01 0.00 0.00 58.87 59.91 2ba3 n SER 9 Cb 0.37 -0.09 -0.08 0.00 -1.01 0.00 0.00 64.21 63.40 2ba3 n SER 9 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2ba3 s GLU 10 N -1.21 1.42 -0.28 1.43 2.02 -1.26 -5.18 118.70 115.64 2ba3 s GLU 10 Ca -0.00 -1.62 -0.20 0.00 0.02 0.00 0.00 54.97 53.17 2ba3 s GLU 10 Cb 0.00 0.34 0.09 0.00 0.10 0.00 0.00 34.13 34.66 2ba3 s GLU 10 CO 0.00 -0.52 0.79 0.54 0.02 0.00 0.00 175.26 176.10 2ba3 s VAL 11 N -3.92 0.00 0.07 2.63 0.11 -1.26 -5.18 120.40 112.85 2ba3 s VAL 11 Ca 0.35 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.34 2ba3 s VAL 11 Cb 0.04 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.91 2ba3 s VAL 11 CO 0.14 0.00 0.28 -1.14 -3.33 0.00 0.00 175.10 171.06 2ba3 n ARG 12 N 3.44 0.23 -2.34 1.54 0.63 -1.26 -5.05 116.66 113.85 2ba3 n ARG 12 Ca -0.17 -0.49 -0.43 0.00 -0.92 0.00 0.00 57.85 55.85 2ba3 n ARG 12 Cb 0.57 0.64 0.00 0.00 0.45 0.00 0.00 32.46 34.13 2ba3 n ARG 12 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2ba3 n GLN 13 N -0.20 3.15 0.05 -0.14 3.00 -1.26 -4.71 117.38 117.27 2ba3 n GLN 13 Ca -0.01 -3.16 0.01 0.00 -0.01 0.00 0.00 57.00 53.83 2ba3 n GLN 13 Cb 0.17 -3.33 0.33 0.00 0.00 0.00 0.00 30.24 27.42 2ba3 n GLN 13 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.06 178.63 2ba3 h LYS 14 N 6.87 0.40 -7.43 -1.09 2.10 -2.03 -3.43 116.57 111.96 2ba3 h LYS 14 Ca 0.47 -0.09 -0.49 0.00 -2.00 0.00 0.00 60.65 58.54 2ba3 h LYS 14 Cb 0.78 -0.06 0.08 0.00 -0.90 0.00 0.00 32.23 32.13 2ba3 h LYS 14 CO 1.58 0.48 0.37 -0.08 -2.00 0.00 0.00 179.45 179.81 2ba3 s THR 15 N -4.86 3.37 0.04 0.07 -1.32 -1.26 -5.09 115.64 106.60 2ba3 s THR 15 Ca -0.07 0.36 0.04 0.00 -1.21 0.00 0.00 61.69 60.81 2ba3 s THR 15 Cb 0.15 -3.43 -0.04 0.00 -1.51 0.00 0.00 72.50 67.68 2ba3 s THR 15 CO 0.75 -0.54 -0.03 -0.69 -2.21 0.00 0.00 174.62 171.90 2ba3 s VAL 16 N -3.32 3.86 -0.24 5.08 1.01 -1.26 -5.09 120.40 120.44 2ba3 s VAL 16 Ca 0.58 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 2ba3 s VAL 16 Cb -0.11 -2.76 0.10 0.00 0.00 0.00 0.00 36.38 33.61 2ba3 s VAL 16 CO 0.50 0.26 0.19 0.54 0.00 0.00 0.00 175.10 176.60 2ba3 s VAL 17 N -1.15 -0.24 0.05 2.92 0.11 -1.26 -5.14 120.40 115.69 2ba3 s VAL 17 Ca 0.21 -0.36 -0.11 0.00 -2.93 0.00 0.00 61.98 58.79 2ba3 s VAL 17 Cb -0.11 -0.80 0.01 0.00 -1.53 0.00 0.00 36.38 33.95 2ba3 s VAL 17 CO 0.13 -0.40 0.25 -0.60 -3.33 0.00 0.00 175.10 171.14 2ba3 s ARG 18 N 2.25 0.78 -0.18 1.54 3.52 -1.26 -5.15 118.95 120.45 2ba3 s ARG 18 Ca 0.07 -0.64 -0.08 0.00 -0.13 0.00 0.00 55.73 54.95 2ba3 s ARG 18 Cb -0.15 0.33 -0.04 0.00 -1.56 0.00 0.00 34.95 33.53 2ba3 s ARG 18 CO -0.22 -0.25 0.06 0.99 -0.81 0.00 0.00 175.30 175.08 2ba3 s THR 19 N -2.85 4.80 -0.17 4.11 2.01 -1.26 -5.09 115.64 117.19 2ba3 s THR 19 Ca -0.03 -0.03 -0.03 0.00 0.31 0.00 0.00 61.69 61.91 2ba3 s THR 19 Cb 0.00 -3.17 0.05 0.00 0.01 0.00 0.00 72.50 69.40 2ba3 s THR 19 CO -0.05 0.46 0.04 -0.22 -0.69 0.00 0.00 174.62 174.16 2ba3 s LEU 20 N 0.40 0.89 0.11 4.42 0.20 -1.26 -5.14 118.68 118.30 2ba3 s LEU 20 Ca 0.03 -0.65 -0.23 0.00 0.69 0.00 0.00 54.13 53.97 2ba3 s LEU 20 Cb -0.12 -0.49 -0.07 0.00 -0.43 0.00 0.00 46.19 45.08 2ba3 s LEU 20 CO 0.00 -0.30 0.70 -0.13 -0.29 0.00 0.00 176.35 176.33 2ba3 s ARG 21 N 1.94 4.43 0.24 1.98 0.52 -1.26 -5.10 118.95 121.71 2ba3 s ARG 21 Ca 0.01 0.99 0.10 0.00 -0.52 0.00 0.00 55.73 56.31 2ba3 s ARG 21 Cb -0.16 -3.27 -0.05 0.00 0.52 0.00 0.00 34.95 31.99 2ba3 s ARG 21 CO -0.08 0.54 -0.18 -0.06 0.02 0.00 0.00 175.30 175.55 2ba3 s PHE 22 N -0.93 2.02 0.75 -0.53 0.40 -1.26 -5.16 117.98 113.28 2ba3 s PHE 22 Ca 0.34 -0.44 -0.11 0.00 -0.60 0.00 0.00 56.93 56.12 2ba3 s PHE 22 Cb -0.21 -0.91 0.05 0.00 0.51 0.00 0.00 43.02 42.46 2ba3 s PHE 22 CO 0.23 0.54 1.12 -1.12 0.70 0.00 0.00 175.22 176.69 2ba3 s SER 23 N -3.33 4.93 0.16 1.36 0.01 -1.26 -4.87 113.70 110.69 2ba3 s SER 23 Ca 0.26 0.88 -0.12 0.00 1.31 0.00 0.00 55.95 58.27 2ba3 s SER 23 Cb -0.03 -1.52 0.04 0.00 0.21 0.00 0.00 66.02 64.71 2ba3 s SER 23 CO 0.11 -1.63 1.64 1.55 0.41 0.00 0.00 173.24 175.32 2ba3 h PRO 24 N -0.83 0.88 0.21 12.44 0.13 -2.02 -0.72 132.00 142.09 2ba3 h PRO 24 Ca -0.45 -0.24 -0.00 0.00 -0.87 0.00 0.00 66.00 64.44 2ba3 h PRO 24 Cb 1.30 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2ba3 h PRO 24 CO 0.64 0.86 -0.17 0.28 -0.23 0.00 0.00 178.00 179.39 2ba3 h VAL 25 N 0.76 0.64 -0.50 1.56 2.07 -2.00 -0.74 116.25 118.05 2ba3 h VAL 25 Ca 0.16 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.73 2ba3 h VAL 25 Cb 0.41 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 2ba3 h VAL 25 CO 0.01 0.00 0.23 -0.33 0.02 0.00 0.00 177.57 177.51 2ba3 h GLU 26 N -0.39 0.44 0.01 1.57 3.07 -1.92 -2.03 114.58 115.34 2ba3 h GLU 26 Ca -0.01 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2ba3 h GLU 26 Cb 0.35 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 2ba3 h GLU 26 CO -0.02 0.29 -0.00 0.22 -1.40 0.00 0.00 179.01 178.10 2ba3 h ASP 27 N 0.46 -0.01 -0.64 1.42 3.58 -0.84 -1.02 116.42 119.37 2ba3 h ASP 27 Ca 0.22 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.66 2ba3 h ASP 27 Cb 0.16 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 2ba3 h ASP 27 CO -0.17 0.00 0.41 -0.08 -2.88 0.00 0.00 179.24 176.52 2ba3 h GLU 28 N -0.02 0.84 0.36 0.28 4.81 -0.94 0.19 114.58 120.10 2ba3 h GLU 28 Ca -0.00 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2ba3 h GLU 28 Cb 0.02 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 2ba3 h GLU 28 CO 0.00 0.57 -0.23 1.15 -0.73 0.00 0.00 179.01 179.78 2ba3 h THR 29 N 0.86 0.52 -0.50 0.32 2.02 -1.17 0.08 112.91 115.04 2ba3 h THR 29 Ca 0.23 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.44 2ba3 h THR 29 Cb -0.08 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 66.81 2ba3 h THR 29 CO -0.05 0.00 0.28 0.40 0.37 0.00 0.00 175.52 176.52 2ba3 h ILE 30 N -0.57 1.01 -0.58 3.11 2.04 -0.94 -1.37 117.51 120.21 2ba3 h ILE 30 Ca -0.04 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2ba3 h ILE 30 Cb 0.47 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2ba3 h ILE 30 CO 0.03 0.10 0.31 -0.09 0.00 0.00 0.00 178.15 178.51 2ba3 h ARG 31 N 0.55 0.81 -0.10 2.37 2.43 -0.37 0.15 114.38 120.21 2ba3 h ARG 31 Ca 0.21 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 2ba3 h ARG 31 Cb 0.07 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2ba3 h ARG 31 CO -0.12 0.62 -0.06 0.87 -1.51 0.00 0.00 179.97 179.77 2ba3 h LYS 32 N 0.78 0.23 -0.27 0.20 6.56 -0.69 -2.26 116.57 121.12 2ba3 h LYS 32 Ca 0.20 -0.11 -0.02 0.00 -1.06 0.00 0.00 60.65 59.67 2ba3 h LYS 32 Cb 0.05 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.70 2ba3 h LYS 32 CO -0.03 0.60 0.09 0.87 -2.06 0.00 0.00 179.45 178.92 2ba3 h LYS 33 N -0.15 0.42 0.25 3.15 1.79 -1.19 -1.14 116.57 119.71 2ba3 h LYS 33 Ca 0.02 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 2ba3 h LYS 33 Cb 0.54 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 2ba3 h LYS 33 CO 0.02 0.48 -0.12 0.00 -1.08 0.00 0.00 179.45 178.75 2ba3 h ALA 34 N 0.92 -0.34 -0.61 3.86 0.00 -1.03 -1.18 119.26 120.87 2ba3 h ALA 34 Ca 0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2ba3 h ALA 34 Cb 0.23 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2ba3 h ALA 34 CO -0.00 -0.69 0.23 1.49 0.00 0.00 0.00 179.25 180.28 2ba3 h GLU 35 N -0.34 0.90 -0.68 0.00 4.57 -1.39 -1.60 114.58 116.03 2ba3 h GLU 35 Ca -0.03 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 57.94 2ba3 h GLU 35 Cb 0.26 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 2ba3 h GLU 35 CO 0.06 0.74 0.21 0.22 -1.18 0.00 0.00 179.01 179.06 2ba3 h ASP 36 N 0.88 0.98 0.79 1.04 3.58 -0.98 -1.21 116.42 121.50 2ba3 h ASP 36 Ca 0.21 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2ba3 h ASP 36 Cb 0.19 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.98 2ba3 h ASP 36 CO -0.02 0.92 0.00 -0.24 -2.88 0.00 0.00 179.24 177.02 2ba3 n SER 37 N -4.26 0.07 0.00 2.28 2.88 -0.47 -4.90 113.62 109.22 2ba3 n SER 37 Ca 0.06 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 2ba3 n SER 37 Cb 0.22 -0.53 0.00 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 0.77 0.71 3.13 0.46 0.00 -0.46 -4.99 105.19 104.81 2ba3 n GLY 38 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 2.80 0.98 0.99 1.43 -0.99 -4.99 118.68 118.89 2ba3 s LEU 39 Ca 0.00 -0.92 -0.15 0.00 -1.03 0.00 0.00 54.13 52.03 2ba3 s LEU 39 Cb 0.00 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.62 2ba3 s LEU 39 CO 0.00 -0.09 -0.18 1.07 0.23 0.00 0.00 176.35 177.38 2ba3 n THR 40 N 4.58 0.00 -0.35 5.49 5.66 -1.26 -4.16 114.28 124.24 2ba3 n THR 40 Ca -0.18 -0.32 0.23 0.00 -3.05 0.00 0.00 64.05 60.73 2ba3 n THR 40 Cb 0.47 -0.34 0.48 0.00 -1.55 0.00 0.00 70.33 69.39 2ba3 n THR 40 CO 0.00 0.00 0.00 -0.37 -3.05 0.00 0.00 175.07 171.65 2ba3 h VAL 41 N -1.32 0.43 0.16 1.08 -1.51 -1.87 0.37 116.25 113.58 2ba3 h VAL 41 Ca -0.44 -0.14 -0.01 0.00 -1.23 0.00 0.00 66.70 64.88 2ba3 h VAL 41 Cb 1.29 -0.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.44 2ba3 h VAL 41 CO 0.29 0.07 -0.08 0.77 -1.23 0.00 0.00 177.57 177.40 2ba3 h SER 42 N 0.41 -0.18 -0.71 4.19 4.64 -1.98 0.18 113.55 120.09 2ba3 h SER 42 Ca 0.67 -0.23 0.06 0.00 -0.47 0.00 0.00 61.79 61.82 2ba3 h SER 42 Cb 1.57 0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 63.65 2ba3 h SER 42 CO -0.44 0.14 0.41 0.00 -0.87 0.00 0.00 176.83 176.07 2ba3 h ALA 43 N 0.27 0.97 0.14 5.18 0.00 -1.43 -1.13 119.26 123.25 2ba3 h ALA 43 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ba3 h ALA 43 Cb 0.40 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2ba3 h ALA 43 CO 0.04 0.11 -0.13 -0.92 0.00 0.00 0.00 179.25 178.34 2ba3 h TYR 44 N 0.76 -0.33 0.22 0.00 3.20 -0.90 -0.44 116.97 119.47 2ba3 h TYR 44 Ca 0.32 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.19 2ba3 h TYR 44 Cb 0.18 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 2ba3 h TYR 44 CO -0.07 -0.20 -0.32 0.82 -1.64 0.00 0.00 178.16 176.75 2ba3 h ILE 45 N -0.29 0.00 -0.76 1.81 1.08 -0.42 0.53 117.51 119.46 2ba3 h ILE 45 Ca 0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 2ba3 h ILE 45 Cb 0.27 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 33.96 2ba3 h ILE 45 CO -0.03 0.00 0.44 0.08 -0.69 0.00 0.00 178.15 177.95 2ba3 h ARG 46 N -0.57 0.75 0.45 2.37 0.11 -1.22 -0.08 114.38 116.19 2ba3 h ARG 46 Ca -0.03 -0.05 -0.02 0.00 0.10 0.00 0.00 59.98 59.99 2ba3 h ARG 46 Cb 0.52 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.44 2ba3 h ARG 46 CO -0.10 0.50 -0.22 -0.97 0.10 0.00 0.00 179.97 179.28 2ba3 h ASN 47 N 0.77 -0.51 -0.29 0.08 -1.24 -0.84 -2.65 115.58 110.91 2ba3 h ASN 47 Ca 0.35 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.35 2ba3 h ASN 47 Cb 0.26 0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 2ba3 h ASN 47 CO -0.21 -0.32 0.18 0.00 -1.29 0.00 0.00 177.43 175.80 2ba3 h ALA 48 N -0.14 1.78 0.00 1.57 0.00 -0.60 -0.22 119.26 121.64 2ba3 h ALA 48 Ca -0.06 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2ba3 h ALA 48 Cb 0.50 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2ba3 h ALA 48 CO 0.10 0.20 -0.40 0.00 0.00 0.00 0.00 179.25 179.15 2ba3 h ALA 49 N 1.81 1.04 0.06 0.00 0.00 -0.86 -3.22 119.26 118.09 2ba3 h ALA 49 Ca 0.11 -0.37 -0.34 0.00 0.00 0.00 0.00 54.91 54.31 2ba3 h ALA 49 Cb -0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2ba3 h ALA 49 CO -0.02 0.50 -2.00 1.28 0.00 0.00 0.00 179.25 179.01 2ba3 n LEU 50 N -3.63 1.83 -0.80 0.00 4.77 -0.87 -5.09 117.00 113.21 2ba3 n LEU 50 Ca -0.01 0.21 0.10 0.00 -0.03 0.00 0.00 56.01 56.29 2ba3 n LEU 50 Cb 0.50 -0.50 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 2ba3 n LEU 50 CO 0.37 0.68 0.57 0.59 -1.33 0.00 0.00 177.39 178.27