#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 0.61 -3.49 -3.46 5.19 -2.14 -3.43 116.42 109.70 2ba3 h ASP 2 Ca 0.00 -0.62 -0.64 0.00 -0.62 0.00 0.00 57.03 55.15 2ba3 h ASP 2 Cb 0.00 -0.18 -0.21 0.00 0.18 0.00 0.00 39.33 39.12 2ba3 h ASP 2 CO 0.00 1.13 -0.62 -0.44 -3.12 0.00 0.00 179.24 176.19 2ba3 s SER 3 N -6.63 5.21 0.06 6.45 0.01 -1.26 -5.08 113.70 112.46 2ba3 s SER 3 Ca -0.13 -0.12 -0.15 0.00 1.31 0.00 0.00 55.95 56.86 2ba3 s SER 3 Cb 0.06 -1.91 0.03 0.00 0.21 0.00 0.00 66.02 64.40 2ba3 s SER 3 CO 0.82 0.05 0.34 0.00 0.41 0.00 0.00 173.24 174.87 2ba3 s ALA 4 N 1.07 -0.79 0.71 1.44 0.00 -1.26 -5.16 121.76 117.78 2ba3 s ALA 4 Ca 0.04 0.03 -0.16 0.00 0.00 0.00 0.00 51.96 51.87 2ba3 s ALA 4 Cb -0.14 0.41 0.03 0.00 0.00 0.00 0.00 23.12 23.42 2ba3 s ALA 4 CO 0.03 -0.48 1.25 0.14 0.00 0.00 0.00 175.76 176.70 2ba3 s VAL 5 N -2.88 2.08 0.00 0.00 -7.23 -1.26 -5.05 120.40 106.07 2ba3 s VAL 5 Ca -0.03 0.04 -0.29 0.00 -1.81 0.00 0.00 61.98 59.90 2ba3 s VAL 5 Cb 0.00 -2.76 0.07 0.00 0.56 0.00 0.00 36.38 34.25 2ba3 s VAL 5 CO -0.05 -0.02 0.67 0.00 -0.31 0.00 0.00 175.10 175.39 2ba3 s ARG 6 N -3.72 1.11 0.58 4.82 1.70 -1.26 -5.16 118.95 117.02 2ba3 s ARG 6 Ca 0.78 0.06 -0.17 0.00 -0.47 0.00 0.00 55.73 55.93 2ba3 s ARG 6 Cb -0.33 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.53 2ba3 s ARG 6 CO 0.44 -0.39 1.10 0.15 -1.08 0.00 0.00 175.30 175.52 2ba3 s LYS 7 N -1.88 3.22 0.00 3.89 1.02 -1.26 -4.98 119.74 119.75 2ba3 s LYS 7 Ca -0.07 1.43 0.00 0.00 0.02 0.00 0.00 55.97 57.35 2ba3 s LYS 7 Cb -0.00 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.30 2ba3 s LYS 7 CO 0.04 -0.92 0.00 1.17 -0.92 0.00 0.00 175.35 174.71 2ba3 n LYS 8 N -1.76 0.00 -1.43 1.68 0.00 -1.26 -5.16 118.16 110.23 2ba3 n LYS 8 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.41 2ba3 n LYS 8 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.55 2ba3 n LYS 8 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2ba3 n SER 9 N -1.37 0.00 0.00 3.14 7.64 -1.26 -5.20 113.62 116.57 2ba3 n SER 9 Ca 0.00 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.11 2ba3 n SER 9 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2ba3 n SER 9 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2ba3 n GLU 10 N 0.00 0.00 -1.58 1.43 2.13 -1.26 -5.10 120.64 116.26 2ba3 n GLU 10 Ca 0.00 0.00 -0.47 0.00 0.66 0.00 0.00 57.16 57.35 2ba3 n GLU 10 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 2ba3 n GLU 10 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2ba3 n VAL 11 N 0.00 0.39 0.23 6.31 0.24 -1.26 -4.84 118.33 119.40 2ba3 n VAL 11 Ca 0.00 -0.27 0.08 0.00 -2.04 0.00 0.00 64.34 62.11 2ba3 n VAL 11 Cb 0.00 -2.06 0.58 0.00 -1.47 0.00 0.00 33.84 30.89 2ba3 n VAL 11 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 2ba3 h ARG 12 N 12.24 0.00 -4.16 7.34 0.11 -2.00 -3.35 114.38 124.56 2ba3 h ARG 12 Ca -0.40 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.05 2ba3 h ARG 12 Cb 1.27 0.00 -0.40 0.00 1.11 0.00 0.00 29.97 31.95 2ba3 h ARG 12 CO 0.97 0.19 -0.73 -1.14 0.10 0.00 0.00 179.97 179.37 2ba3 s GLN 13 N -4.29 1.23 0.17 0.08 0.74 -1.26 -4.99 119.66 111.33 2ba3 s GLN 13 Ca -0.03 -1.64 -0.05 0.00 0.05 0.00 0.00 55.36 53.69 2ba3 s GLN 13 Cb 0.14 -2.75 0.03 0.00 1.10 0.00 0.00 33.01 31.53 2ba3 s GLN 13 CO 0.65 -0.97 1.44 1.57 -0.55 0.00 0.00 175.29 177.42 2ba3 h LYS 14 N 7.69 0.58 -7.35 1.67 2.10 -1.99 -3.45 116.57 115.82 2ba3 h LYS 14 Ca -0.07 -0.42 -0.50 0.00 -2.00 0.00 0.00 60.65 57.66 2ba3 h LYS 14 Cb 1.01 0.07 0.12 0.00 -0.90 0.00 0.00 32.23 32.53 2ba3 h LYS 14 CO 0.51 1.03 0.32 -0.08 -2.00 0.00 0.00 179.45 179.23 2ba3 s THR 15 N -3.86 3.23 0.02 0.07 -1.32 -1.26 -5.06 115.64 107.46 2ba3 s THR 15 Ca -0.08 0.40 0.02 0.00 -1.21 0.00 0.00 61.69 60.82 2ba3 s THR 15 Cb 0.10 -3.01 -0.04 0.00 -1.51 0.00 0.00 72.50 68.05 2ba3 s THR 15 CO 0.86 -0.52 0.02 -0.69 -2.21 0.00 0.00 174.62 172.07 2ba3 s VAL 16 N -3.01 4.25 -0.17 5.08 1.01 -1.26 -5.09 120.40 121.21 2ba3 s VAL 16 Ca 0.61 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 2ba3 s VAL 16 Cb -0.16 -2.93 0.06 0.00 0.00 0.00 0.00 36.38 33.35 2ba3 s VAL 16 CO 0.56 0.32 0.11 0.54 0.00 0.00 0.00 175.10 176.62 2ba3 s VAL 17 N -1.15 -0.12 0.21 2.92 0.11 -1.26 -5.14 120.40 115.97 2ba3 s VAL 17 Ca 0.22 -0.14 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 2ba3 s VAL 17 Cb -0.12 -0.57 -0.01 0.00 -1.53 0.00 0.00 36.38 34.15 2ba3 s VAL 17 CO 0.13 -0.26 0.24 -1.14 -3.33 0.00 0.00 175.10 170.74 2ba3 n ARG 18 N 5.29 0.35 -4.06 1.54 0.63 -1.26 -5.15 116.66 113.99 2ba3 n ARG 18 Ca -0.07 -1.84 -0.33 0.00 -0.92 0.00 0.00 57.85 54.70 2ba3 n ARG 18 Cb 0.49 1.65 -0.15 0.00 0.45 0.00 0.00 32.46 34.90 2ba3 n ARG 18 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2ba3 s THR 19 N -2.73 2.25 -0.48 5.15 2.01 -1.26 -5.07 115.64 115.51 2ba3 s THR 19 Ca 0.21 -1.44 -0.10 0.00 0.31 0.00 0.00 61.69 60.66 2ba3 s THR 19 Cb 0.00 -2.23 0.11 0.00 0.01 0.00 0.00 72.50 70.39 2ba3 s THR 19 CO 0.15 0.10 0.36 -0.22 -0.69 0.00 0.00 174.62 174.32 2ba3 s LEU 20 N 1.16 5.71 0.48 4.42 1.98 -1.26 -5.08 118.68 126.09 2ba3 s LEU 20 Ca -0.05 -1.83 -0.09 0.00 -2.89 0.00 0.00 54.13 49.27 2ba3 s LEU 20 Cb -0.18 -2.04 -0.05 0.00 0.66 0.00 0.00 46.19 44.57 2ba3 s LEU 20 CO -0.06 -0.70 0.84 -0.13 -1.89 0.00 0.00 176.35 174.40 2ba3 s ARG 21 N 1.41 3.68 0.03 1.98 0.52 -1.26 -5.10 118.95 120.21 2ba3 s ARG 21 Ca 0.05 0.47 -0.01 0.00 -0.52 0.00 0.00 55.73 55.72 2ba3 s ARG 21 Cb -0.26 -2.31 -0.02 0.00 0.52 0.00 0.00 34.95 32.87 2ba3 s ARG 21 CO 0.00 -0.21 -0.02 -0.06 0.02 0.00 0.00 175.30 175.04 2ba3 s PHE 22 N -2.66 0.31 0.78 -0.53 0.40 -1.26 -5.13 117.98 109.89 2ba3 s PHE 22 Ca 0.51 -0.65 -0.10 0.00 -0.60 0.00 0.00 56.93 56.10 2ba3 s PHE 22 Cb -0.10 -0.23 0.09 0.00 0.51 0.00 0.00 43.02 43.29 2ba3 s PHE 22 CO 0.40 -0.24 1.12 -1.12 0.70 0.00 0.00 175.22 176.07 2ba3 s SER 23 N -1.83 4.43 0.07 1.36 0.01 -1.26 -4.84 113.70 111.64 2ba3 s SER 23 Ca -0.10 0.50 -0.22 0.00 1.31 0.00 0.00 55.95 57.44 2ba3 s SER 23 Cb -0.05 -0.99 -0.12 0.00 0.21 0.00 0.00 66.02 65.07 2ba3 s SER 23 CO -0.03 -1.89 1.59 1.55 0.41 0.00 0.00 173.24 174.87 2ba3 h PRO 24 N -0.91 0.18 -0.57 12.44 0.13 -2.02 -0.70 132.00 140.55 2ba3 h PRO 24 Ca -0.45 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 2ba3 h PRO 24 Cb 1.31 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 2ba3 h PRO 24 CO 0.58 0.31 0.09 0.28 -0.23 0.00 0.00 178.00 179.03 2ba3 h VAL 25 N 0.02 1.24 0.28 1.56 2.07 -1.98 0.77 116.25 120.21 2ba3 h VAL 25 Ca 0.04 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 2ba3 h VAL 25 Cb 0.20 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2ba3 h VAL 25 CO -0.00 0.35 -0.13 -0.33 0.02 0.00 0.00 177.57 177.47 2ba3 h GLU 26 N 0.87 -0.36 -0.71 1.57 4.39 -1.92 -1.13 114.58 117.29 2ba3 h GLU 26 Ca 0.18 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2ba3 h GLU 26 Cb 0.39 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 2ba3 h GLU 26 CO 0.01 -0.10 0.46 0.22 -1.16 0.00 0.00 179.01 178.44 2ba3 h ASP 27 N -0.59 0.82 -0.05 1.42 3.58 -1.00 -0.03 116.42 120.58 2ba3 h ASP 27 Ca -0.04 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.38 2ba3 h ASP 27 Cb 0.43 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.27 2ba3 h ASP 27 CO 0.06 0.61 0.02 -0.08 -2.88 0.00 0.00 179.24 176.96 2ba3 h GLU 28 N 0.96 0.07 -0.09 0.28 4.81 -0.81 0.65 114.58 120.44 2ba3 h GLU 28 Ca 0.26 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.49 2ba3 h GLU 28 Cb -0.09 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2ba3 h GLU 28 CO -0.05 0.24 -0.00 1.15 -0.73 0.00 0.00 179.01 179.62 2ba3 h THR 29 N -0.11 0.93 -0.43 0.32 2.02 -0.93 0.08 112.91 114.79 2ba3 h THR 29 Ca 0.02 -0.01 0.03 0.00 0.77 0.00 0.00 66.41 67.22 2ba3 h THR 29 Cb 0.20 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 2ba3 h THR 29 CO -0.00 0.01 0.23 0.40 0.37 0.00 0.00 175.52 176.52 2ba3 h ILE 30 N 0.03 0.99 0.12 3.11 2.04 -0.90 0.40 117.51 123.30 2ba3 h ILE 30 Ca 0.04 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 2ba3 h ILE 30 Cb 0.05 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2ba3 h ILE 30 CO -0.08 0.08 -0.06 -0.09 0.00 0.00 0.00 178.15 178.01 2ba3 h ARG 31 N 0.45 -0.15 -0.46 2.37 2.43 -0.43 0.18 114.38 118.77 2ba3 h ARG 31 Ca 0.18 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 2ba3 h ARG 31 Cb 0.07 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 2ba3 h ARG 31 CO -0.12 -0.09 0.24 0.87 -1.51 0.00 0.00 179.97 179.37 2ba3 h LYS 32 N -0.18 0.64 -0.65 0.20 6.56 -0.73 -0.08 116.57 122.34 2ba3 h LYS 32 Ca -0.02 -0.08 -0.07 0.00 -1.06 0.00 0.00 60.65 59.42 2ba3 h LYS 32 Cb 0.14 -0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 31.65 2ba3 h LYS 32 CO 0.03 0.52 0.13 -0.22 -2.06 0.00 0.00 179.45 177.85 2ba3 h LYS 33 N 0.60 1.03 0.39 3.15 1.63 -0.77 0.53 116.57 123.14 2ba3 h LYS 33 Ca 0.16 -0.25 -0.02 0.00 -0.85 0.00 0.00 60.65 59.69 2ba3 h LYS 33 Cb 0.07 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 2ba3 h LYS 33 CO -0.02 0.93 -0.19 0.00 -3.45 0.00 0.00 179.45 176.72 2ba3 h ALA 34 N 1.16 -0.53 -1.00 5.00 0.00 -0.40 0.13 119.26 123.61 2ba3 h ALA 34 Ca 0.20 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2ba3 h ALA 34 Cb 0.38 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 2ba3 h ALA 34 CO 0.01 -0.71 0.66 1.49 0.00 0.00 0.00 179.25 180.70 2ba3 h GLU 35 N -0.70 1.27 -0.21 0.00 4.57 -0.89 -1.44 114.58 117.18 2ba3 h GLU 35 Ca -0.05 -0.08 -0.17 0.00 -1.18 0.00 0.00 59.36 57.88 2ba3 h GLU 35 Cb 0.50 -0.29 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2ba3 h GLU 35 CO 0.09 0.84 -0.56 0.22 -1.18 0.00 0.00 179.01 178.42 2ba3 h ASP 36 N 1.31 0.72 1.30 1.04 3.58 -0.80 -3.08 116.42 120.49 2ba3 h ASP 36 Ca 0.39 -0.39 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ba3 h ASP 36 Cb -0.06 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.79 2ba3 h ASP 36 CO -0.11 1.13 0.00 -1.28 -2.88 0.00 0.00 179.24 176.10 2ba3 h SER 37 N 0.49 0.00 -0.91 2.28 0.87 -0.26 -3.47 113.55 112.55 2ba3 h SER 37 Ca 0.01 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 2ba3 h SER 37 Cb 1.13 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.09 2ba3 h SER 37 CO 0.11 0.00 -0.07 0.61 -0.53 0.00 0.00 176.83 176.95 2ba3 n GLY 38 N 0.85 0.49 2.88 5.77 0.00 -0.61 -5.06 105.19 109.51 2ba3 n GLY 38 Ca 0.04 -0.68 -0.17 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.20 1.45 0.64 0.99 1.43 -0.80 -5.06 118.68 116.14 2ba3 s LEU 39 Ca 0.03 -0.07 -0.18 0.00 -1.03 0.00 0.00 54.13 52.89 2ba3 s LEU 39 Cb -0.01 -0.29 -0.01 0.00 0.03 0.00 0.00 46.19 45.91 2ba3 s LEU 39 CO 0.04 -0.04 1.24 0.28 0.23 0.00 0.00 176.35 178.10 2ba3 s THR 40 N 0.67 2.32 0.27 5.49 -1.32 -1.26 -4.00 115.64 117.80 2ba3 s THR 40 Ca -0.07 0.19 -0.01 0.00 -1.21 0.00 0.00 61.69 60.59 2ba3 s THR 40 Cb -0.11 -3.01 0.28 0.00 -1.51 0.00 0.00 72.50 68.16 2ba3 s THR 40 CO -0.01 -0.05 1.66 0.58 -2.21 0.00 0.00 174.62 174.59 2ba3 h VAL 41 N 0.50 0.40 -0.54 5.08 2.07 -1.91 0.17 116.25 122.01 2ba3 h VAL 41 Ca -0.50 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 66.99 2ba3 h VAL 41 Cb 1.31 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 2ba3 h VAL 41 CO 0.53 0.04 0.27 0.77 0.02 0.00 0.00 177.57 179.20 2ba3 h SER 42 N 0.24 0.38 -0.15 0.57 4.64 -2.00 -0.79 113.55 116.44 2ba3 h SER 42 Ca 0.49 0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.73 2ba3 h SER 42 Cb 0.92 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2ba3 h SER 42 CO -0.60 0.25 -0.34 0.00 -0.87 0.00 0.00 176.83 175.28 2ba3 h ALA 43 N 1.30 0.24 -0.47 5.18 0.00 -1.50 -3.11 119.26 120.90 2ba3 h ALA 43 Ca 0.24 -0.43 0.09 0.00 0.00 0.00 0.00 54.91 54.82 2ba3 h ALA 43 Cb 0.17 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 2ba3 h ALA 43 CO -0.18 0.30 -0.01 -0.92 0.00 0.00 0.00 179.25 178.44 2ba3 h TYR 44 N 0.12 -0.05 0.20 0.00 3.20 -0.26 0.11 116.97 120.29 2ba3 h TYR 44 Ca 0.00 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2ba3 h TYR 44 Cb 0.94 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 2ba3 h TYR 44 CO 0.10 -0.11 -0.17 0.82 -1.64 0.00 0.00 178.16 177.15 2ba3 h ILE 45 N 0.10 0.00 -0.50 1.81 1.08 -1.20 -1.17 117.51 117.64 2ba3 h ILE 45 Ca 0.24 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.73 2ba3 h ILE 45 Cb 0.35 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.07 2ba3 h ILE 45 CO -0.40 0.00 0.29 0.08 -0.69 0.00 0.00 178.15 177.43 2ba3 h ARG 46 N -0.37 0.57 -0.41 2.37 0.11 -1.46 -1.60 114.38 113.59 2ba3 h ARG 46 Ca -0.03 -0.03 0.06 0.00 0.10 0.00 0.00 59.98 60.08 2ba3 h ARG 46 Cb 0.31 -0.13 -0.05 0.00 1.11 0.00 0.00 29.97 31.21 2ba3 h ARG 46 CO -0.01 0.38 0.10 -0.97 0.10 0.00 0.00 179.97 179.57 2ba3 h ASN 47 N 0.58 0.05 0.29 0.08 -1.24 -0.75 0.11 115.58 114.71 2ba3 h ASN 47 Ca 0.21 0.06 -0.08 0.00 0.71 0.00 0.00 56.30 57.20 2ba3 h ASN 47 Cb 0.04 0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 2ba3 h ASN 47 CO -0.10 0.06 -0.35 0.00 -1.29 0.00 0.00 177.43 175.75 2ba3 h ALA 48 N 1.30 1.32 0.00 1.57 0.00 -0.99 -2.47 119.26 119.99 2ba3 h ALA 48 Ca 0.20 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 2ba3 h ALA 48 Cb 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2ba3 h ALA 48 CO -0.24 0.49 -0.79 0.00 0.00 0.00 0.00 179.25 178.71 2ba3 h ALA 49 N 1.56 0.59 0.13 0.00 0.00 -0.27 -3.36 119.26 117.92 2ba3 h ALA 49 Ca 0.01 -0.72 -0.36 0.00 0.00 0.00 0.00 54.91 53.84 2ba3 h ALA 49 Cb 0.67 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2ba3 h ALA 49 CO 0.05 0.99 -1.93 -0.07 0.00 0.00 0.00 179.25 178.29 2ba3 h LEU 50 N 0.00 0.44 0.00 0.00 3.38 -0.92 -3.51 115.31 114.70 2ba3 h LEU 50 Ca -0.01 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.05 2ba3 h LEU 50 Cb 1.49 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2ba3 h LEU 50 CO 0.10 1.81 0.00 0.59 0.09 0.00 0.00 178.44 181.03