#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 0.00 -4.27 4.04 2.03 -2.14 -3.42 116.42 112.65 2ba3 h ASP 2 Ca 0.00 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.77 2ba3 h ASP 2 Cb 0.00 0.00 -0.29 0.00 -0.83 0.00 0.00 39.33 38.21 2ba3 h ASP 2 CO 0.00 0.00 -0.83 -0.55 -1.03 0.00 0.00 179.24 176.83 2ba3 s SER 3 N -4.44 1.92 -0.06 4.15 0.15 -1.26 -5.13 113.70 109.03 2ba3 s SER 3 Ca 0.03 -0.30 -0.31 0.00 0.70 0.00 0.00 55.95 56.08 2ba3 s SER 3 Cb 0.09 -0.22 0.11 0.00 -1.71 0.00 0.00 66.02 64.29 2ba3 s SER 3 CO 0.40 0.20 1.03 0.00 1.20 0.00 0.00 173.24 176.07 2ba3 s ALA 4 N -0.37 -1.92 0.29 5.45 0.00 -1.26 -5.21 121.76 118.73 2ba3 s ALA 4 Ca 0.06 1.15 -0.10 0.00 0.00 0.00 0.00 51.96 53.07 2ba3 s ALA 4 Cb -0.06 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.30 2ba3 s ALA 4 CO -0.01 -0.70 0.50 0.14 0.00 0.00 0.00 175.76 175.70 2ba3 s VAL 5 N -2.84 0.00 0.04 0.00 -7.23 -1.26 -5.13 120.40 103.97 2ba3 s VAL 5 Ca 0.08 -1.43 -0.31 0.00 -1.81 0.00 0.00 61.98 58.51 2ba3 s VAL 5 Cb -0.01 -2.40 -0.06 0.00 0.56 0.00 0.00 36.38 34.48 2ba3 s VAL 5 CO -0.06 0.00 1.34 -0.13 -0.31 0.00 0.00 175.10 175.93 2ba3 s ARG 6 N -3.58 4.33 0.28 4.82 0.52 -1.26 -5.01 118.95 119.05 2ba3 s ARG 6 Ca 0.24 1.93 -0.02 0.00 -0.52 0.00 0.00 55.73 57.36 2ba3 s ARG 6 Cb -0.01 -3.43 -0.02 0.00 0.52 0.00 0.00 34.95 32.01 2ba3 s ARG 6 CO 0.12 -0.45 0.35 -1.59 0.02 0.00 0.00 175.30 173.74 2ba3 s LYS 7 N 1.72 1.62 0.31 3.54 0.00 -1.26 -5.15 119.74 120.52 2ba3 s LYS 7 Ca 0.62 -1.67 -0.29 0.00 0.00 0.00 0.00 55.97 54.63 2ba3 s LYS 7 Cb -0.32 0.38 -0.11 0.00 0.00 0.00 0.00 37.83 37.78 2ba3 s LYS 7 CO 0.28 -0.63 1.48 0.15 0.00 0.00 0.00 175.35 176.63 2ba3 s LYS 8 N -3.62 4.20 -1.33 1.78 3.01 -1.26 -4.92 119.74 117.60 2ba3 s LYS 8 Ca 0.33 2.44 -0.14 0.00 -1.01 0.00 0.00 55.97 57.59 2ba3 s LYS 8 Cb 0.02 -3.04 0.10 0.00 -1.01 0.00 0.00 37.83 33.90 2ba3 s LYS 8 CO 0.17 -0.48 1.85 0.45 0.51 0.00 0.00 175.35 177.86 2ba3 n SER 9 N 1.56 4.71 -0.48 2.83 2.88 -1.26 -4.75 113.62 119.12 2ba3 n SER 9 Ca 0.05 -2.95 0.00 0.00 -1.33 0.00 0.00 58.87 54.64 2ba3 n SER 9 Cb 0.39 -1.63 0.02 0.00 -0.75 0.00 0.00 64.21 62.24 2ba3 n SER 9 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2ba3 n GLU 10 N 6.22 1.15 -0.34 -1.46 -0.58 -1.26 -4.36 120.64 120.01 2ba3 n GLU 10 Ca 0.46 -0.13 0.21 0.00 -0.42 0.00 0.00 57.16 57.28 2ba3 n GLU 10 Cb 0.41 -1.45 0.45 0.00 -0.57 0.00 0.00 31.44 30.28 2ba3 n GLU 10 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 2ba3 h VAL 11 N 0.17 0.47 0.00 2.62 3.04 -2.01 -1.37 116.25 119.18 2ba3 h VAL 11 Ca 0.00 -0.16 -0.06 0.00 -1.01 0.00 0.00 66.70 65.47 2ba3 h VAL 11 Cb 0.48 -0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 29.72 2ba3 h VAL 11 CO 0.02 0.08 -0.28 0.08 -1.01 0.00 0.00 177.57 176.46 2ba3 h ARG 12 N 0.46 0.00 -2.72 4.17 0.11 -2.01 -3.37 114.38 111.01 2ba3 h ARG 12 Ca 0.66 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 60.14 2ba3 h ARG 12 Cb 1.46 0.00 -0.39 0.00 1.11 0.00 0.00 29.97 32.15 2ba3 h ARG 12 CO -0.44 0.28 -0.81 -1.14 0.10 0.00 0.00 179.97 177.96 2ba3 s GLN 13 N -4.34 1.00 0.31 0.08 0.74 -0.52 -4.97 119.66 111.95 2ba3 s GLN 13 Ca -0.03 -1.84 0.10 0.00 0.05 0.00 0.00 55.36 53.64 2ba3 s GLN 13 Cb 0.15 -1.83 0.49 0.00 1.10 0.00 0.00 33.01 32.91 2ba3 s GLN 13 CO 0.70 -1.23 1.70 1.57 -0.55 0.00 0.00 175.29 177.48 2ba3 h LYS 14 N 6.57 0.07 -7.21 1.67 2.10 -1.74 -3.44 116.57 114.59 2ba3 h LYS 14 Ca 0.08 -0.04 -0.49 0.00 -2.00 0.00 0.00 60.65 58.20 2ba3 h LYS 14 Cb 0.93 0.00 0.05 0.00 -0.90 0.00 0.00 32.23 32.31 2ba3 h LYS 14 CO 0.39 0.55 0.38 -0.08 -2.00 0.00 0.00 179.45 178.69 2ba3 s THR 15 N -3.93 4.14 0.20 0.07 -1.32 -1.26 -5.05 115.64 108.48 2ba3 s THR 15 Ca -0.03 0.99 -0.09 0.00 -1.21 0.00 0.00 61.69 61.35 2ba3 s THR 15 Cb 0.13 -3.53 -0.07 0.00 -1.51 0.00 0.00 72.50 67.52 2ba3 s THR 15 CO 0.76 -0.62 0.51 -0.69 -2.21 0.00 0.00 174.62 172.36 2ba3 s VAL 16 N -2.58 4.98 -0.35 5.08 1.01 -1.26 -5.05 120.40 122.23 2ba3 s VAL 16 Ca 0.61 0.43 -0.00 0.00 0.00 0.00 0.00 61.98 63.02 2ba3 s VAL 16 Cb -0.13 -3.63 0.14 0.00 0.00 0.00 0.00 36.38 32.75 2ba3 s VAL 16 CO 0.36 0.01 0.21 0.54 0.00 0.00 0.00 175.10 176.21 2ba3 s VAL 17 N -1.72 0.14 0.42 2.92 0.11 -1.26 -5.12 120.40 115.88 2ba3 s VAL 17 Ca 0.44 -1.66 0.07 0.00 -2.93 0.00 0.00 61.98 57.90 2ba3 s VAL 17 Cb -0.12 -1.12 -0.06 0.00 -1.53 0.00 0.00 36.38 33.56 2ba3 s VAL 17 CO 0.21 -0.97 0.12 -0.60 -3.33 0.00 0.00 175.10 170.54 2ba3 s ARG 18 N 1.13 2.14 -0.13 1.54 3.52 -1.26 -5.14 118.95 120.76 2ba3 s ARG 18 Ca 0.17 -1.96 0.02 0.00 -0.13 0.00 0.00 55.73 53.82 2ba3 s ARG 18 Cb -0.23 -1.85 -0.00 0.00 -1.56 0.00 0.00 34.95 31.31 2ba3 s ARG 18 CO -0.01 -0.13 -0.18 0.99 -0.81 0.00 0.00 175.30 175.16 2ba3 s THR 19 N -2.66 2.55 0.10 4.11 2.01 -1.26 -5.12 115.64 115.37 2ba3 s THR 19 Ca 0.37 -0.83 0.08 0.00 0.31 0.00 0.00 61.69 61.61 2ba3 s THR 19 Cb 0.06 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 2ba3 s THR 19 CO 0.20 0.54 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.25 2ba3 s LEU 20 N 0.51 2.31 0.07 4.42 1.98 -1.26 -5.16 118.68 121.55 2ba3 s LEU 20 Ca -0.12 -0.69 0.01 0.00 -2.89 0.00 0.00 54.13 50.44 2ba3 s LEU 20 Cb -0.16 -0.83 -0.04 0.00 0.66 0.00 0.00 46.19 45.82 2ba3 s LEU 20 CO 0.05 0.03 -0.05 -0.13 -1.89 0.00 0.00 176.35 174.36 2ba3 s ARG 21 N -1.96 0.69 0.05 1.98 0.52 -1.26 -5.17 118.95 113.79 2ba3 s ARG 21 Ca 0.06 -1.20 -0.07 0.00 -0.52 0.00 0.00 55.73 54.00 2ba3 s ARG 21 Cb -0.10 -0.02 -0.01 0.00 0.52 0.00 0.00 34.95 35.35 2ba3 s ARG 21 CO 0.04 -0.05 0.14 -0.06 0.02 0.00 0.00 175.30 175.39 2ba3 s PHE 22 N -3.46 0.17 1.00 -0.53 0.08 -1.26 -5.10 117.98 108.89 2ba3 s PHE 22 Ca 0.07 -0.50 -0.12 0.00 0.12 0.00 0.00 56.93 56.49 2ba3 s PHE 22 Cb 0.04 -0.11 0.19 0.00 -0.57 0.00 0.00 43.02 42.58 2ba3 s PHE 22 CO -0.06 -0.43 1.09 -1.12 -0.10 0.00 0.00 175.22 174.59 2ba3 s SER 23 N -2.37 2.54 0.15 1.36 0.01 -1.26 -4.71 113.70 109.42 2ba3 s SER 23 Ca -0.01 1.26 -0.15 0.00 1.31 0.00 0.00 55.95 58.35 2ba3 s SER 23 Cb 0.01 -1.94 0.02 0.00 0.21 0.00 0.00 66.02 64.32 2ba3 s SER 23 CO -0.06 -3.19 1.74 1.55 0.41 0.00 0.00 173.24 173.68 2ba3 h PRO 24 N -1.93 0.62 -0.47 12.44 0.13 -2.02 -0.36 132.00 140.41 2ba3 h PRO 24 Ca -0.55 -0.08 -0.07 0.00 -0.87 0.00 0.00 66.00 64.44 2ba3 h PRO 24 Cb 1.32 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2ba3 h PRO 24 CO 0.56 0.51 0.03 0.28 -0.23 0.00 0.00 178.00 179.16 2ba3 h VAL 25 N 0.57 1.26 -0.46 1.56 2.07 -1.98 -0.01 116.25 119.26 2ba3 h VAL 25 Ca 0.15 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.67 2ba3 h VAL 25 Cb 0.08 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2ba3 h VAL 25 CO -0.02 0.35 0.29 -0.33 0.02 0.00 0.00 177.57 177.88 2ba3 h GLU 26 N 0.67 0.61 -0.35 1.57 4.39 -1.86 0.18 114.58 119.80 2ba3 h GLU 26 Ca 0.14 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.73 2ba3 h GLU 26 Cb 0.46 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2ba3 h GLU 26 CO 0.02 0.42 -0.02 0.22 -1.16 0.00 0.00 179.01 178.48 2ba3 h ASP 27 N 0.61 0.63 -0.69 1.42 3.58 -0.92 -1.85 116.42 119.21 2ba3 h ASP 27 Ca 0.17 -0.33 0.04 0.00 0.42 0.00 0.00 57.03 57.33 2ba3 h ASP 27 Cb -0.05 -0.17 -0.05 0.00 1.72 0.00 0.00 39.33 40.79 2ba3 h ASP 27 CO -0.03 0.81 0.42 -0.08 -2.88 0.00 0.00 179.24 177.47 2ba3 h GLU 28 N 0.44 0.78 0.06 0.28 4.81 -0.70 0.21 114.58 120.46 2ba3 h GLU 28 Ca 0.10 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2ba3 h GLU 28 Cb 0.50 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2ba3 h GLU 28 CO 0.02 0.51 -0.03 1.15 -0.73 0.00 0.00 179.01 179.94 2ba3 h THR 29 N 0.80 0.98 -0.79 0.32 2.02 -0.82 -0.27 112.91 115.16 2ba3 h THR 29 Ca 0.28 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 2ba3 h THR 29 Cb 0.07 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 2ba3 h THR 29 CO -0.13 0.03 0.44 0.40 0.37 0.00 0.00 175.52 176.64 2ba3 h ILE 30 N -0.14 1.23 -0.36 3.11 2.04 -0.85 -0.97 117.51 121.57 2ba3 h ILE 30 Ca -0.01 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.28 2ba3 h ILE 30 Cb 0.12 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 2ba3 h ILE 30 CO 0.01 0.26 0.23 -0.09 0.00 0.00 0.00 178.15 178.56 2ba3 h ARG 31 N 1.10 0.47 0.92 2.37 2.43 -0.25 -0.08 114.38 121.34 2ba3 h ARG 31 Ca 0.28 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.37 2ba3 h ARG 31 Cb 0.02 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2ba3 h ARG 31 CO -0.05 0.33 -0.44 0.87 -1.51 0.00 0.00 179.97 179.17 2ba3 h LYS 32 N 0.47 -1.19 -0.87 0.20 6.56 -0.71 -1.83 116.57 119.20 2ba3 h LYS 32 Ca 0.13 0.08 -0.00 0.00 -1.06 0.00 0.00 60.65 59.80 2ba3 h LYS 32 Cb -0.03 0.27 -0.04 0.00 -0.57 0.00 0.00 32.23 31.86 2ba3 h LYS 32 CO -0.03 -0.80 0.53 -0.22 -2.06 0.00 0.00 179.45 176.88 2ba3 h LYS 33 N -1.24 1.19 0.08 3.15 1.63 -1.15 0.59 116.57 120.81 2ba3 h LYS 33 Ca -0.13 -0.11 0.01 0.00 -0.85 0.00 0.00 60.65 59.57 2ba3 h LYS 33 Cb 0.95 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 2ba3 h LYS 33 CO 0.21 0.83 -0.10 0.00 -3.45 0.00 0.00 179.45 176.94 2ba3 h ALA 34 N 1.29 -0.17 -0.70 5.00 0.00 -0.99 -0.61 119.26 123.08 2ba3 h ALA 34 Ca 0.31 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2ba3 h ALA 34 Cb -0.05 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2ba3 h ALA 34 CO -0.06 -0.62 0.35 1.49 0.00 0.00 0.00 179.25 180.41 2ba3 h GLU 35 N -0.21 1.00 0.00 0.00 4.81 -0.97 -1.27 114.58 117.94 2ba3 h GLU 35 Ca 0.01 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 2ba3 h GLU 35 Cb 0.21 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 2ba3 h GLU 35 CO -0.04 0.78 -0.09 0.22 -0.73 0.00 0.00 179.01 179.14 2ba3 h ASP 36 N 0.97 0.00 0.11 1.04 3.58 -0.63 -2.06 116.42 119.43 2ba3 h ASP 36 Ca 0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 2ba3 h ASP 36 Cb 0.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2ba3 h ASP 36 CO -0.03 0.09 -0.71 -0.24 -2.88 0.00 0.00 179.24 175.47 2ba3 n SER 37 N -3.39 1.15 -2.08 2.28 2.88 -0.26 -4.98 113.62 109.22 2ba3 n SER 37 Ca -0.01 -0.97 -0.17 0.00 -1.33 0.00 0.00 58.87 56.39 2ba3 n SER 37 Cb 0.26 0.65 0.00 0.00 -0.75 0.00 0.00 64.21 64.38 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 1.47 -0.31 3.07 0.46 0.00 -0.55 -5.01 105.19 104.32 2ba3 n GLY 38 Ca 0.06 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.01 1.78 0.70 0.99 1.43 -0.78 -5.04 118.68 112.75 2ba3 s LEU 39 Ca 0.08 -0.32 -0.16 0.00 -1.03 0.00 0.00 54.13 52.70 2ba3 s LEU 39 Cb -0.03 -0.87 0.02 0.00 0.03 0.00 0.00 46.19 45.34 2ba3 s LEU 39 CO 0.10 0.08 1.23 0.28 0.23 0.00 0.00 176.35 178.27 2ba3 s THR 40 N 0.37 2.22 0.30 5.49 -1.32 -1.26 -4.05 115.64 117.40 2ba3 s THR 40 Ca -0.10 0.12 0.07 0.00 -1.21 0.00 0.00 61.69 60.56 2ba3 s THR 40 Cb -0.14 -2.81 0.30 0.00 -1.51 0.00 0.00 72.50 68.35 2ba3 s THR 40 CO 0.03 -0.05 1.71 0.58 -2.21 0.00 0.00 174.62 174.69 2ba3 h VAL 41 N -0.02 0.51 -0.64 5.08 2.07 -1.90 0.11 116.25 121.47 2ba3 h VAL 41 Ca -0.49 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 2ba3 h VAL 41 Cb 1.31 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2ba3 h VAL 41 CO 0.51 0.09 0.20 0.77 0.02 0.00 0.00 177.57 179.15 2ba3 h SER 42 N 0.50 0.91 -0.12 0.57 4.64 -1.99 -0.60 113.55 117.45 2ba3 h SER 42 Ca 0.60 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.71 2ba3 h SER 42 Cb 1.14 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2ba3 h SER 42 CO -0.50 0.86 -0.12 0.00 -0.87 0.00 0.00 176.83 176.20 2ba3 h ALA 43 N 1.26 0.18 -0.60 5.18 0.00 -1.22 -2.91 119.26 121.16 2ba3 h ALA 43 Ca 0.21 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.92 2ba3 h ALA 43 Cb 0.28 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 2ba3 h ALA 43 CO -0.01 0.04 0.17 -0.92 0.00 0.00 0.00 179.25 178.53 2ba3 h TYR 44 N -0.09 0.29 0.46 0.00 3.20 -0.70 0.47 116.97 120.60 2ba3 h TYR 44 Ca 0.02 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 2ba3 h TYR 44 Cb 0.64 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 2ba3 h TYR 44 CO 0.08 0.03 -0.32 0.82 -1.64 0.00 0.00 178.16 177.13 2ba3 h ILE 45 N 0.33 0.00 -0.60 1.81 1.08 -1.10 0.17 117.51 119.20 2ba3 h ILE 45 Ca 0.31 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.85 2ba3 h ILE 45 Cb 0.42 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.11 2ba3 h ILE 45 CO -0.35 0.00 0.28 0.08 -0.69 0.00 0.00 178.15 177.47 2ba3 h ARG 46 N -0.75 0.50 0.49 2.37 0.11 -1.30 -0.63 114.38 115.17 2ba3 h ARG 46 Ca -0.06 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 59.97 2ba3 h ARG 46 Cb 0.61 -0.11 -0.00 0.00 1.11 0.00 0.00 29.97 31.58 2ba3 h ARG 46 CO 0.03 0.33 -0.29 -0.97 0.10 0.00 0.00 179.97 179.17 2ba3 h ASN 47 N 0.51 -0.73 0.13 0.08 -1.24 -0.83 -2.07 115.58 111.43 2ba3 h ASN 47 Ca 0.29 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.33 2ba3 h ASN 47 Cb 0.27 0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.54 2ba3 h ASN 47 CO -0.23 -0.47 -0.05 0.00 -1.29 0.00 0.00 177.43 175.39 2ba3 h ALA 48 N -0.27 1.50 0.00 1.57 0.00 -0.69 0.96 119.26 122.34 2ba3 h ALA 48 Ca -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2ba3 h ALA 48 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2ba3 h ALA 48 CO 0.06 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.38 2ba3 h ALA 49 N 1.95 1.00 0.00 0.00 0.00 -0.45 -3.37 119.26 118.39 2ba3 h ALA 49 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2ba3 h ALA 49 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2ba3 h ALA 49 CO 0.01 0.00 -1.32 1.28 0.00 0.00 0.00 179.25 179.22 2ba3 n LEU 50 N -3.00 0.00 -0.67 0.00 4.77 -0.80 -5.08 117.00 112.22 2ba3 n LEU 50 Ca 0.04 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.15 2ba3 n LEU 50 Cb 0.50 0.11 0.36 0.00 -2.33 0.00 0.00 43.42 42.05 2ba3 n LEU 50 CO 0.33 0.11 0.78 0.59 -1.33 0.00 0.00 177.39 177.86