#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 -5.84 6.43 5.19 -2.15 -3.47 116.42 116.58 2ba3 h ASP 2 Ca 0.00 -0.01 0.35 0.00 -0.62 0.00 0.00 57.03 56.75 2ba3 h ASP 2 Cb 0.00 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 39.40 2ba3 h ASP 2 CO 0.00 0.00 0.88 -0.55 -3.12 0.00 0.00 179.24 176.46 2ba3 s SER 3 N -5.50 -0.03 0.20 6.45 0.15 -1.26 -5.20 113.70 108.51 2ba3 s SER 3 Ca 0.08 -0.12 -0.04 0.00 0.70 0.00 0.00 55.95 56.57 2ba3 s SER 3 Cb 0.08 0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.48 2ba3 s SER 3 CO 0.65 -0.23 0.20 0.00 1.20 0.00 0.00 173.24 175.07 2ba3 s ALA 4 N -2.24 0.72 0.67 5.45 0.00 -1.26 -5.19 121.76 119.91 2ba3 s ALA 4 Ca 0.18 -1.42 0.01 0.00 0.00 0.00 0.00 51.96 50.73 2ba3 s ALA 4 Cb 0.04 1.20 0.12 0.00 0.00 0.00 0.00 23.12 24.48 2ba3 s ALA 4 CO -0.04 -0.63 0.85 1.33 0.00 0.00 0.00 175.76 177.27 2ba3 n VAL 5 N -0.26 0.00 -4.17 0.00 0.24 -1.26 -5.13 118.33 107.74 2ba3 n VAL 5 Ca -0.01 -1.44 -0.19 0.00 -2.04 0.00 0.00 64.34 60.66 2ba3 n VAL 5 Cb 0.65 -0.89 -0.16 0.00 -1.47 0.00 0.00 33.84 31.97 2ba3 n VAL 5 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ba3 s ARG 6 N -4.71 0.71 -0.19 7.34 3.03 -1.26 -5.13 118.95 118.74 2ba3 s ARG 6 Ca 0.58 -0.13 0.01 0.00 2.03 0.00 0.00 55.73 58.22 2ba3 s ARG 6 Cb -0.03 -0.72 0.03 0.00 -1.03 0.00 0.00 34.95 33.19 2ba3 s ARG 6 CO 0.38 -0.02 -0.18 0.15 -1.13 0.00 0.00 175.30 174.50 2ba3 s LYS 7 N 0.62 2.79 0.74 3.89 1.02 -1.26 -5.13 119.74 122.42 2ba3 s LYS 7 Ca -0.08 -0.88 -0.11 0.00 0.02 0.00 0.00 55.97 54.92 2ba3 s LYS 7 Cb -0.11 -2.57 0.03 0.00 -0.52 0.00 0.00 37.83 34.66 2ba3 s LYS 7 CO 0.00 -0.27 1.08 0.15 -0.92 0.00 0.00 175.35 175.39 2ba3 s LYS 8 N 1.29 2.55 0.22 1.68 1.02 -1.26 -4.99 119.74 120.25 2ba3 s LYS 8 Ca 0.03 1.10 0.11 0.00 0.02 0.00 0.00 55.97 57.24 2ba3 s LYS 8 Cb -0.14 -1.94 0.04 0.00 -0.52 0.00 0.00 37.83 35.27 2ba3 s LYS 8 CO -0.12 -1.41 1.42 0.66 -0.92 0.00 0.00 175.35 174.98 2ba3 h SER 9 N -0.89 0.00 -4.99 2.83 4.64 -2.02 -3.46 113.55 109.66 2ba3 h SER 9 Ca -0.44 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.72 2ba3 h SER 9 Cb 1.22 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.16 2ba3 h SER 9 CO 0.54 0.72 -0.69 -1.61 -0.87 0.00 0.00 176.83 174.91 2ba3 s GLU 10 N -2.98 0.65 0.00 4.77 0.41 -1.26 -5.07 118.70 115.22 2ba3 s GLU 10 Ca 0.02 -1.17 0.00 0.00 -0.41 0.00 0.00 54.97 53.41 2ba3 s GLU 10 Cb 0.09 0.04 0.00 0.00 -1.78 0.00 0.00 34.13 32.48 2ba3 s GLU 10 CO 0.77 -0.07 0.00 1.55 -0.49 0.00 0.00 175.26 177.03 2ba3 n VAL 11 N 0.28 0.00 0.33 2.63 3.14 -1.26 -4.81 118.33 118.65 2ba3 n VAL 11 Ca -0.15 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.06 2ba3 n VAL 11 Cb 0.60 -0.34 -0.09 0.00 -1.06 0.00 0.00 33.84 32.95 2ba3 n VAL 11 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 2ba3 h ARG 12 N 0.00 -0.79 -3.39 1.45 2.43 -2.02 -3.38 114.38 108.69 2ba3 h ARG 12 Ca 0.00 0.05 -0.63 0.00 -0.81 0.00 0.00 59.98 58.60 2ba3 h ARG 12 Cb 0.32 0.18 -0.40 0.00 -0.42 0.00 0.00 29.97 29.65 2ba3 h ARG 12 CO 0.00 -0.50 -0.69 -0.65 -1.51 0.00 0.00 179.97 176.62 2ba3 s GLN 13 N -5.73 1.59 0.31 0.20 -0.21 -1.26 -4.95 119.66 109.61 2ba3 s GLN 13 Ca -0.17 -2.22 0.07 0.00 0.02 0.00 0.00 55.36 53.07 2ba3 s GLN 13 Cb 0.03 -2.86 0.51 0.00 1.00 0.00 0.00 33.01 31.69 2ba3 s GLN 13 CO 0.59 -1.10 1.74 1.57 -2.12 0.00 0.00 175.29 175.97 2ba3 h LYS 14 N 6.81 0.25 -7.00 2.91 2.10 -1.87 -3.44 116.57 116.32 2ba3 h LYS 14 Ca -0.05 -0.10 -0.49 0.00 -2.00 0.00 0.00 60.65 58.01 2ba3 h LYS 14 Cb 0.93 -0.01 0.04 0.00 -0.90 0.00 0.00 32.23 32.29 2ba3 h LYS 14 CO 0.58 0.57 0.14 -0.08 -2.00 0.00 0.00 179.45 178.66 2ba3 s THR 15 N -4.26 4.50 -0.08 0.07 -1.32 -1.26 -5.08 115.64 108.21 2ba3 s THR 15 Ca -0.05 0.15 -0.01 0.00 -1.21 0.00 0.00 61.69 60.58 2ba3 s THR 15 Cb 0.14 -3.73 -0.03 0.00 -1.51 0.00 0.00 72.50 67.36 2ba3 s THR 15 CO 0.77 -0.74 -0.04 -0.69 -2.21 0.00 0.00 174.62 171.71 2ba3 s VAL 16 N -2.83 3.95 -0.08 5.08 1.01 -1.26 -5.10 120.40 121.16 2ba3 s VAL 16 Ca 0.50 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 2ba3 s VAL 16 Cb -0.10 -2.64 0.04 0.00 0.00 0.00 0.00 36.38 33.67 2ba3 s VAL 16 CO 0.45 0.59 0.09 0.54 0.00 0.00 0.00 175.10 176.77 2ba3 s VAL 17 N -0.69 -0.14 0.28 2.92 0.11 -1.26 -5.14 120.40 116.49 2ba3 s VAL 17 Ca 0.11 0.26 -0.09 0.00 -2.93 0.00 0.00 61.98 59.33 2ba3 s VAL 17 Cb -0.11 -0.29 -0.00 0.00 -1.53 0.00 0.00 36.38 34.44 2ba3 s VAL 17 CO 0.02 0.05 0.47 -0.60 -3.33 0.00 0.00 175.10 171.71 2ba3 s ARG 18 N 2.19 1.68 -0.22 1.54 3.52 -1.26 -5.15 118.95 121.26 2ba3 s ARG 18 Ca 0.04 -1.46 -0.04 0.00 -0.13 0.00 0.00 55.73 54.14 2ba3 s ARG 18 Cb -0.13 0.46 -0.01 0.00 -1.56 0.00 0.00 34.95 33.71 2ba3 s ARG 18 CO -0.05 -0.70 -0.04 0.99 -0.81 0.00 0.00 175.30 174.69 2ba3 s THR 19 N -3.60 3.45 -0.30 4.11 2.01 -1.26 -5.08 115.64 114.97 2ba3 s THR 19 Ca 0.26 -0.47 0.03 0.00 0.31 0.00 0.00 61.69 61.82 2ba3 s THR 19 Cb -0.00 -2.57 0.08 0.00 0.01 0.00 0.00 72.50 70.02 2ba3 s THR 19 CO 0.13 0.42 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.24 2ba3 s LEU 20 N 1.45 4.04 0.47 4.42 1.98 -1.26 -5.11 118.68 124.67 2ba3 s LEU 20 Ca 0.05 -1.78 -0.10 0.00 -2.89 0.00 0.00 54.13 49.42 2ba3 s LEU 20 Cb -0.14 -1.55 -0.05 0.00 0.66 0.00 0.00 46.19 45.10 2ba3 s LEU 20 CO -0.03 -0.29 0.84 -0.13 -1.89 0.00 0.00 176.35 174.85 2ba3 s ARG 21 N 1.03 3.69 0.13 1.98 0.52 -1.26 -5.10 118.95 119.94 2ba3 s ARG 21 Ca 0.02 0.48 0.00 0.00 -0.52 0.00 0.00 55.73 55.71 2ba3 s ARG 21 Cb -0.19 -2.31 -0.04 0.00 0.52 0.00 0.00 34.95 32.92 2ba3 s ARG 21 CO -0.07 -0.19 0.01 -0.06 0.02 0.00 0.00 175.30 175.00 2ba3 s PHE 22 N -2.63 0.93 0.55 -0.53 0.08 -1.26 -5.16 117.98 109.96 2ba3 s PHE 22 Ca 0.51 -1.09 -0.00 0.00 0.12 0.00 0.00 56.93 56.47 2ba3 s PHE 22 Cb -0.10 -0.54 0.03 0.00 -0.57 0.00 0.00 43.02 41.83 2ba3 s PHE 22 CO 0.39 -0.34 0.78 -1.12 -0.10 0.00 0.00 175.22 174.83 2ba3 s SER 23 N -3.07 5.38 0.18 1.36 0.01 -1.26 -4.91 113.70 111.39 2ba3 s SER 23 Ca 0.20 0.15 -0.11 0.00 1.31 0.00 0.00 55.95 57.50 2ba3 s SER 23 Cb 0.07 -1.11 0.10 0.00 0.21 0.00 0.00 66.02 65.29 2ba3 s SER 23 CO -0.00 -1.08 1.75 1.55 0.41 0.00 0.00 173.24 175.86 2ba3 h PRO 24 N 0.06 0.97 0.00 12.44 0.13 -2.02 -0.95 132.00 142.63 2ba3 h PRO 24 Ca -0.43 -0.17 -0.06 0.00 -0.87 0.00 0.00 66.00 64.47 2ba3 h PRO 24 Cb 1.29 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2ba3 h PRO 24 CO 0.55 0.81 -0.27 0.28 -0.23 0.00 0.00 178.00 179.14 2ba3 h VAL 25 N 0.92 0.86 0.19 1.56 2.07 -1.99 0.01 116.25 119.87 2ba3 h VAL 25 Ca 0.22 -1.07 -0.32 0.00 0.82 0.00 0.00 66.70 66.35 2ba3 h VAL 25 Cb 0.20 1.64 0.02 0.00 -1.52 0.00 0.00 31.29 31.63 2ba3 h VAL 25 CO -0.02 0.27 -1.49 -0.33 0.02 0.00 0.00 177.57 176.02 2ba3 h GLU 26 N 0.00 0.41 -0.26 1.57 4.39 -1.84 -3.02 114.58 115.83 2ba3 h GLU 26 Ca -0.00 -0.70 -0.09 0.00 0.34 0.00 0.00 59.36 58.91 2ba3 h GLU 26 Cb 0.62 0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 2ba3 h GLU 26 CO 0.04 1.32 -0.18 0.22 -1.16 0.00 0.00 179.01 179.24 2ba3 h ASP 27 N 0.11 0.61 -0.12 1.42 3.58 -0.99 -2.00 116.42 119.03 2ba3 h ASP 27 Ca -0.24 -0.44 0.04 0.00 0.42 0.00 0.00 57.03 56.81 2ba3 h ASP 27 Cb 2.09 -0.17 -0.05 0.00 1.72 0.00 0.00 39.33 42.92 2ba3 h ASP 27 CO 0.23 0.92 -0.18 -0.08 -2.88 0.00 0.00 179.24 177.25 2ba3 h GLU 28 N 0.30 -0.22 0.15 0.28 4.81 -1.09 0.22 114.58 119.02 2ba3 h GLU 28 Ca 0.05 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2ba3 h GLU 28 Cb 0.72 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2ba3 h GLU 28 CO 0.05 -0.15 -0.07 1.15 -0.73 0.00 0.00 179.01 179.26 2ba3 h THR 29 N -0.23 0.98 -0.85 0.32 2.02 -1.55 -1.35 112.91 112.26 2ba3 h THR 29 Ca 0.09 -0.60 0.04 0.00 0.77 0.00 0.00 66.41 66.71 2ba3 h THR 29 Cb 0.36 1.35 -0.05 0.00 -1.74 0.00 0.00 68.15 68.08 2ba3 h THR 29 CO -0.25 0.14 0.54 0.40 0.37 0.00 0.00 175.52 176.72 2ba3 h ILE 30 N -0.49 1.13 -0.09 3.11 2.04 -1.16 0.12 117.51 122.17 2ba3 h ILE 30 Ca -0.02 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 2ba3 h ILE 30 Cb 0.38 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 2ba3 h ILE 30 CO 0.03 0.19 0.02 -0.09 0.00 0.00 0.00 178.15 178.30 2ba3 h ARG 31 N 1.05 0.15 -0.24 2.37 2.43 -0.53 -0.43 114.38 119.18 2ba3 h ARG 31 Ca 0.34 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 2ba3 h ARG 31 Cb 0.02 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2ba3 h ARG 31 CO -0.12 0.35 0.08 0.87 -1.51 0.00 0.00 179.97 179.64 2ba3 h LYS 32 N -0.07 0.37 -0.55 0.20 6.56 -0.89 -0.68 116.57 121.50 2ba3 h LYS 32 Ca 0.03 -0.08 -0.03 0.00 -1.06 0.00 0.00 60.65 59.52 2ba3 h LYS 32 Cb 0.27 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.85 2ba3 h LYS 32 CO 0.00 0.44 0.24 -0.22 -2.06 0.00 0.00 179.45 177.86 2ba3 h LYS 33 N 0.22 0.81 0.23 3.15 1.63 -0.97 -1.45 116.57 120.18 2ba3 h LYS 33 Ca 0.08 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 2ba3 h LYS 33 Cb 0.22 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.71 2ba3 h LYS 33 CO -0.00 0.68 -0.14 0.00 -3.45 0.00 0.00 179.45 176.54 2ba3 h ALA 34 N 1.08 -0.35 -0.94 5.00 0.00 -0.94 0.01 119.26 123.13 2ba3 h ALA 34 Ca 0.19 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2ba3 h ALA 34 Cb 0.16 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2ba3 h ALA 34 CO -0.02 -0.70 0.62 1.49 0.00 0.00 0.00 179.25 180.64 2ba3 h GLU 35 N -0.36 1.19 -0.27 0.00 4.81 -0.98 -1.27 114.58 117.71 2ba3 h GLU 35 Ca -0.02 -0.07 -0.17 0.00 -0.13 0.00 0.00 59.36 58.97 2ba3 h GLU 35 Cb 0.30 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2ba3 h GLU 35 CO 0.02 0.79 -0.50 0.22 -0.73 0.00 0.00 179.01 178.81 2ba3 h ASP 36 N 1.23 0.90 0.42 1.04 3.58 -1.06 -2.85 116.42 119.69 2ba3 h ASP 36 Ca 0.36 -0.54 0.00 0.00 0.42 0.00 0.00 57.03 57.27 2ba3 h ASP 36 Cb -0.07 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.72 2ba3 h ASP 36 CO -0.09 1.27 0.00 -0.24 -2.88 0.00 0.00 179.24 177.29 2ba3 n SER 37 N -4.08 0.00 -1.05 2.28 2.88 -0.03 -4.86 113.62 108.76 2ba3 n SER 37 Ca -0.05 0.41 -0.13 0.00 -1.33 0.00 0.00 58.87 57.77 2ba3 n SER 37 Cb 0.60 -0.45 -0.05 0.00 -0.75 0.00 0.00 64.21 63.55 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 -0.09 1.28 3.15 0.46 0.00 -0.55 -4.98 105.19 104.47 2ba3 n GLY 38 Ca 0.04 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.07 2.76 0.68 0.99 1.43 -0.78 -5.03 118.68 115.67 2ba3 s LEU 39 Ca 0.00 -0.82 -0.17 0.00 -1.03 0.00 0.00 54.13 52.11 2ba3 s LEU 39 Cb 0.00 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 2ba3 s LEU 39 CO 0.00 -0.07 0.82 1.07 0.23 0.00 0.00 176.35 178.40 2ba3 n THR 40 N 4.62 2.78 -0.31 5.49 5.66 -1.26 -4.10 114.28 127.16 2ba3 n THR 40 Ca -0.18 -0.42 0.15 0.00 -3.05 0.00 0.00 64.05 60.55 2ba3 n THR 40 Cb 0.48 -0.99 0.33 0.00 -1.55 0.00 0.00 70.33 68.60 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 -0.07 0.34 -0.32 1.08 2.07 -1.89 0.13 116.25 117.58 2ba3 h VAL 41 Ca -0.47 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 66.97 2ba3 h VAL 41 Cb 1.35 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2ba3 h VAL 41 CO 0.47 0.05 0.19 0.77 0.02 0.00 0.00 177.57 179.07 2ba3 h SER 42 N 0.26 0.31 -0.38 0.57 4.64 -1.99 -1.09 113.55 115.87 2ba3 h SER 42 Ca 0.59 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.84 2ba3 h SER 42 Cb 1.22 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2ba3 h SER 42 CO -0.63 0.23 -0.06 0.00 -0.87 0.00 0.00 176.83 175.50 2ba3 h ALA 43 N 1.14 0.52 -0.22 5.18 0.00 -1.26 -2.93 119.26 121.69 2ba3 h ALA 43 Ca 0.13 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.80 2ba3 h ALA 43 Cb -0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 2ba3 h ALA 43 CO -0.05 0.35 -0.14 -0.92 0.00 0.00 0.00 179.25 178.49 2ba3 h TYR 44 N 0.52 -0.35 0.27 0.00 5.03 -0.60 0.56 116.97 122.40 2ba3 h TYR 44 Ca 0.10 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.43 2ba3 h TYR 44 Cb 0.56 0.19 -0.02 0.00 1.55 0.00 0.00 36.73 39.01 2ba3 h TYR 44 CO 0.05 -0.21 -0.35 0.82 -1.32 0.00 0.00 178.16 177.15 2ba3 h ILE 45 N -0.13 0.00 -0.58 1.81 1.08 -1.18 -0.06 117.51 118.45 2ba3 h ILE 45 Ca 0.12 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.65 2ba3 h ILE 45 Cb 0.31 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.01 2ba3 h ILE 45 CO -0.30 0.00 0.31 0.08 -0.69 0.00 0.00 178.15 177.55 2ba3 h ARG 46 N -0.64 0.56 0.28 2.37 0.11 -1.37 -0.40 114.38 115.29 2ba3 h ARG 46 Ca -0.03 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.00 2ba3 h ARG 46 Cb 0.58 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 31.53 2ba3 h ARG 46 CO -0.09 0.37 -0.15 -0.97 0.10 0.00 0.00 179.97 179.23 2ba3 h ASN 47 N 0.58 -0.38 -0.17 0.08 -1.24 -0.73 -2.26 115.58 111.46 2ba3 h ASN 47 Ca 0.26 0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.26 2ba3 h ASN 47 Cb 0.17 0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 2ba3 h ASN 47 CO -0.18 -0.26 0.03 0.00 -1.29 0.00 0.00 177.43 175.73 2ba3 h ALA 48 N 0.30 1.57 0.00 1.57 0.00 -0.84 -1.62 119.26 120.24 2ba3 h ALA 48 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2ba3 h ALA 48 Cb 0.33 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2ba3 h ALA 48 CO 0.05 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.62 2ba3 h ALA 49 N 1.66 1.00 0.00 0.00 0.00 -0.71 -3.32 119.26 117.89 2ba3 h ALA 49 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.75 2ba3 h ALA 49 Cb 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2ba3 h ALA 49 CO 0.00 0.00 -1.93 1.28 0.00 0.00 0.00 179.25 178.60 2ba3 n LEU 50 N -2.35 1.42 -0.52 0.00 4.77 -0.88 -5.06 117.00 114.38 2ba3 n LEU 50 Ca 0.04 -0.04 0.14 0.00 -0.03 0.00 0.00 56.01 56.11 2ba3 n LEU 50 Cb 0.35 -0.11 0.49 0.00 -2.33 0.00 0.00 43.42 41.81 2ba3 n LEU 50 CO 0.26 0.54 0.85 0.59 -1.33 0.00 0.00 177.39 178.30