#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ba3 n ASP 2 N 0.00 0.04 -4.42 6.43 -0.08 -1.26 -5.20 116.55 112.06 2ba3 n ASP 2 Ca 0.00 -1.53 -0.22 0.00 -1.51 0.00 0.00 54.79 51.53 2ba3 n ASP 2 Cb 0.00 0.38 -0.10 0.00 2.34 0.00 0.00 41.12 43.73 2ba3 n ASP 2 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2ba3 s SER 3 N -1.57 2.37 0.25 1.67 0.01 -1.26 -5.04 113.70 110.12 2ba3 s SER 3 Ca 0.09 -1.41 0.25 0.00 1.31 0.00 0.00 55.95 56.19 2ba3 s SER 3 Cb 0.00 -0.01 0.92 0.00 0.21 0.00 0.00 66.02 67.14 2ba3 s SER 3 CO 0.06 -0.65 1.74 0.00 0.41 0.00 0.00 173.24 174.81 2ba3 n ALA 4 N -0.70 1.92 -3.83 1.44 0.00 -1.26 -4.56 120.51 113.52 2ba3 n ALA 4 Ca -0.03 0.04 -0.26 0.00 0.00 0.00 0.00 53.44 53.20 2ba3 n ALA 4 Cb 0.66 -1.43 -0.17 0.00 0.00 0.00 0.00 19.45 18.52 2ba3 n ALA 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2ba3 s VAL 5 N -3.23 0.91 -0.15 0.00 -7.23 -1.26 -5.05 120.40 104.38 2ba3 s VAL 5 Ca 0.07 -0.23 -0.14 0.00 -1.81 0.00 0.00 61.98 59.87 2ba3 s VAL 5 Cb 0.10 -0.94 -0.11 0.00 0.56 0.00 0.00 36.38 35.99 2ba3 s VAL 5 CO 0.48 0.34 0.18 -0.09 -0.31 0.00 0.00 175.10 175.70 2ba3 h ARG 6 N 8.06 0.00 -6.95 4.82 9.65 -2.03 -3.48 114.38 124.44 2ba3 h ARG 6 Ca -0.29 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.29 2ba3 h ARG 6 Cb 1.14 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.68 2ba3 h ARG 6 CO 0.39 0.47 -0.50 0.36 2.80 0.00 0.00 179.97 183.49 2ba3 n LYS 7 N -4.61 -0.70 -4.02 0.20 2.85 -1.26 -4.91 118.16 105.70 2ba3 n LYS 7 Ca -0.12 -0.18 -0.33 0.00 -1.05 0.00 0.00 58.31 56.64 2ba3 n LYS 7 Cb 0.35 -0.97 -0.15 0.00 -0.65 0.00 0.00 35.03 33.61 2ba3 n LYS 7 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2ba3 s LYS 8 N -6.02 2.20 0.45 -1.58 2.47 -1.26 -5.11 119.74 110.89 2ba3 s LYS 8 Ca 0.19 -1.39 0.04 0.00 -1.56 0.00 0.00 55.97 53.25 2ba3 s LYS 8 Cb -0.11 -3.00 -0.05 0.00 -1.46 0.00 0.00 37.83 33.21 2ba3 s LYS 8 CO 0.49 -0.63 0.01 -1.54 0.16 0.00 0.00 175.35 173.85 2ba3 s SER 9 N 1.13 3.89 0.09 1.43 1.04 -1.26 -5.12 113.70 114.91 2ba3 s SER 9 Ca -0.06 -1.50 -0.30 0.00 0.48 0.00 0.00 55.95 54.57 2ba3 s SER 9 Cb -0.20 0.02 -0.06 0.00 0.10 0.00 0.00 66.02 65.88 2ba3 s SER 9 CO -0.04 -0.64 1.11 -0.70 0.98 0.00 0.00 173.24 173.95 2ba3 s GLU 10 N -3.79 4.53 0.31 4.02 2.12 -1.26 -4.94 118.70 119.69 2ba3 s GLU 10 Ca 0.23 1.66 0.08 0.00 0.36 0.00 0.00 54.97 57.30 2ba3 s GLU 10 Cb 0.06 -3.35 0.87 0.00 0.26 0.00 0.00 34.13 31.98 2ba3 s GLU 10 CO 0.12 -0.08 1.68 0.28 -0.54 0.00 0.00 175.26 176.71 2ba3 h VAL 11 N 4.28 0.38 -3.53 3.70 2.07 -2.04 -3.34 116.25 117.77 2ba3 h VAL 11 Ca -0.42 -0.12 -0.67 0.00 0.82 0.00 0.00 66.70 66.30 2ba3 h VAL 11 Cb 1.21 -0.00 -0.33 0.00 -1.52 0.00 0.00 31.29 30.66 2ba3 h VAL 11 CO 0.76 0.06 -0.76 -0.60 0.02 0.00 0.00 177.57 177.06 2ba3 s ARG 12 N -5.80 2.75 -1.12 1.57 6.06 -1.26 -5.04 118.95 116.11 2ba3 s ARG 12 Ca -0.11 -1.03 -0.21 0.00 -2.50 0.00 0.00 55.73 51.89 2ba3 s ARG 12 Cb 0.27 -2.96 0.07 0.00 0.06 0.00 0.00 34.95 32.39 2ba3 s ARG 12 CO 0.78 -0.42 1.52 -1.14 -2.50 0.00 0.00 175.30 173.54 2ba3 s GLN 13 N 1.29 3.75 0.57 5.12 0.74 -1.25 -4.79 119.66 125.09 2ba3 s GLN 13 Ca -0.01 -1.53 0.27 0.00 0.05 0.00 0.00 55.36 54.14 2ba3 s GLN 13 Cb -0.17 -5.37 1.69 0.00 1.10 0.00 0.00 33.01 30.26 2ba3 s GLN 13 CO -0.05 -2.17 2.22 1.57 -0.55 0.00 0.00 175.29 176.31 2ba3 h LYS 14 N 8.86 0.00 -6.76 1.67 2.10 -1.96 -3.42 116.57 117.05 2ba3 h LYS 14 Ca 0.29 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.45 2ba3 h LYS 14 Cb 0.96 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.31 2ba3 h LYS 14 CO 1.41 0.02 -0.01 -0.08 -2.00 0.00 0.00 179.45 178.79 2ba3 s THR 15 N -4.65 4.98 0.04 0.07 -1.32 -1.26 -5.09 115.64 108.41 2ba3 s THR 15 Ca -0.05 -0.03 -0.07 0.00 -1.21 0.00 0.00 61.69 60.33 2ba3 s THR 15 Cb 0.15 -3.86 -0.05 0.00 -1.51 0.00 0.00 72.50 67.24 2ba3 s THR 15 CO 0.57 -0.72 0.31 -0.69 -2.21 0.00 0.00 174.62 171.88 2ba3 s VAL 16 N -2.55 5.24 -0.22 5.08 1.01 -1.26 -5.08 120.40 122.62 2ba3 s VAL 16 Ca 0.45 0.21 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 2ba3 s VAL 16 Cb -0.10 -3.59 0.09 0.00 0.00 0.00 0.00 36.38 32.78 2ba3 s VAL 16 CO 0.41 0.31 0.18 0.54 0.00 0.00 0.00 175.10 176.54 2ba3 s VAL 17 N -1.36 -0.24 0.09 2.92 0.11 -1.26 -5.14 120.40 115.52 2ba3 s VAL 17 Ca 0.30 -0.26 -0.03 0.00 -2.93 0.00 0.00 61.98 59.06 2ba3 s VAL 17 Cb -0.13 -0.73 -0.03 0.00 -1.53 0.00 0.00 36.38 33.96 2ba3 s VAL 17 CO 0.18 -0.33 0.06 -0.60 -3.33 0.00 0.00 175.10 171.08 2ba3 s ARG 18 N 2.25 0.80 -0.56 1.54 3.52 -1.26 -5.11 118.95 120.14 2ba3 s ARG 18 Ca 0.06 -1.24 -0.20 0.00 -0.13 0.00 0.00 55.73 54.22 2ba3 s ARG 18 Cb -0.16 0.26 0.07 0.00 -1.56 0.00 0.00 34.95 33.56 2ba3 s ARG 18 CO -0.17 -0.21 0.75 0.99 -0.81 0.00 0.00 175.30 175.84 2ba3 s THR 19 N -3.95 4.70 -0.31 4.11 2.01 -1.26 -5.02 115.64 115.91 2ba3 s THR 19 Ca 0.13 -0.46 -0.05 0.00 0.31 0.00 0.00 61.69 61.61 2ba3 s THR 19 Cb 0.07 -4.44 0.03 0.00 0.01 0.00 0.00 72.50 68.17 2ba3 s THR 19 CO -0.06 -1.03 0.07 -0.22 -0.69 0.00 0.00 174.62 172.69 2ba3 s LEU 20 N 3.08 4.03 0.18 4.42 2.96 -1.26 -5.10 118.68 126.99 2ba3 s LEU 20 Ca 0.18 -1.03 -0.05 0.00 -0.22 0.00 0.00 54.13 53.01 2ba3 s LEU 20 Cb -0.19 -1.83 -0.06 0.00 0.50 0.00 0.00 46.19 44.62 2ba3 s LEU 20 CO 0.11 -0.27 0.43 -0.13 -1.32 0.00 0.00 176.35 175.18 2ba3 s ARG 21 N 1.40 3.64 0.43 1.98 1.81 -1.26 -5.12 118.95 121.83 2ba3 s ARG 21 Ca -0.01 -0.04 0.04 0.00 -1.72 0.00 0.00 55.73 53.99 2ba3 s ARG 21 Cb -0.19 -2.79 -0.02 0.00 -0.45 0.00 0.00 34.95 31.50 2ba3 s ARG 21 CO 0.01 0.41 0.12 -0.06 -0.68 0.00 0.00 175.30 175.10 2ba3 s PHE 22 N -1.75 1.78 0.47 -0.53 0.40 -1.26 -5.17 117.98 111.92 2ba3 s PHE 22 Ca 0.42 -1.28 0.06 0.00 -0.60 0.00 0.00 56.93 55.53 2ba3 s PHE 22 Cb -0.12 -1.21 -0.01 0.00 0.51 0.00 0.00 43.02 42.19 2ba3 s PHE 22 CO 0.25 -0.26 0.27 -1.12 0.70 0.00 0.00 175.22 175.06 2ba3 s SER 23 N -3.66 4.56 0.01 1.36 0.01 -1.26 -4.98 113.70 109.74 2ba3 s SER 23 Ca 0.20 -1.15 -0.24 0.00 1.31 0.00 0.00 55.95 56.07 2ba3 s SER 23 Cb 0.02 -0.07 -0.18 0.00 0.21 0.00 0.00 66.02 66.00 2ba3 s SER 23 CO 0.13 -0.79 1.35 1.55 0.41 0.00 0.00 173.24 175.89 2ba3 h PRO 24 N 1.12 0.11 -0.44 12.44 0.13 -2.03 -1.12 132.00 142.20 2ba3 h PRO 24 Ca -0.41 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 64.59 2ba3 h PRO 24 Cb 1.28 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2ba3 h PRO 24 CO 0.64 0.50 -0.08 0.28 -0.23 0.00 0.00 178.00 179.11 2ba3 h VAL 25 N -0.28 1.25 0.07 1.56 2.07 -1.98 -0.05 116.25 118.89 2ba3 h VAL 25 Ca 0.01 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 2ba3 h VAL 25 Cb 0.47 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2ba3 h VAL 25 CO 0.01 0.39 -0.03 -0.33 0.02 0.00 0.00 177.57 177.62 2ba3 h GLU 26 N 0.71 -0.09 -0.54 1.57 5.08 -1.97 -1.65 114.58 117.71 2ba3 h GLU 26 Ca 0.13 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 2ba3 h GLU 26 Cb 0.56 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 2ba3 h GLU 26 CO 0.03 0.15 0.29 0.22 -1.00 0.00 0.00 179.01 178.70 2ba3 h ASP 27 N -0.32 0.43 -0.37 1.42 3.58 -1.05 0.00 116.42 120.11 2ba3 h ASP 27 Ca -0.01 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2ba3 h ASP 27 Cb 0.28 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 2ba3 h ASP 27 CO 0.02 0.30 0.23 -0.08 -2.88 0.00 0.00 179.24 176.83 2ba3 h GLU 28 N 0.56 0.50 0.70 0.28 4.81 -0.93 0.20 114.58 120.69 2ba3 h GLU 28 Ca 0.23 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2ba3 h GLU 28 Cb 0.11 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.39 2ba3 h GLU 28 CO -0.15 0.36 -0.33 1.15 -0.73 0.00 0.00 179.01 179.31 2ba3 h THR 29 N 0.49 0.30 -0.72 0.32 2.02 -0.76 -1.66 112.91 112.91 2ba3 h THR 29 Ca 0.13 -0.05 0.04 0.00 0.77 0.00 0.00 66.41 67.31 2ba3 h THR 29 Cb -0.02 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 66.65 2ba3 h THR 29 CO -0.03 0.01 0.44 0.40 0.37 0.00 0.00 175.52 176.71 2ba3 h ILE 30 N -0.97 1.06 -0.16 3.11 2.04 -0.92 -1.17 117.51 120.51 2ba3 h ILE 30 Ca -0.10 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 2ba3 h ILE 30 Cb 0.73 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2ba3 h ILE 30 CO 0.16 0.15 0.08 -0.09 0.00 0.00 0.00 178.15 178.45 2ba3 h ARG 31 N 0.85 0.22 -0.30 2.37 2.43 -0.54 0.13 114.38 119.54 2ba3 h ARG 31 Ca 0.30 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.42 2ba3 h ARG 31 Cb 0.08 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2ba3 h ARG 31 CO -0.13 0.26 0.10 0.87 -1.51 0.00 0.00 179.97 179.56 2ba3 h LYS 32 N 0.13 0.46 -0.42 0.20 6.56 -1.00 -1.13 116.57 121.36 2ba3 h LYS 32 Ca 0.05 -0.10 -0.03 0.00 -1.06 0.00 0.00 60.65 59.52 2ba3 h LYS 32 Cb 0.11 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.69 2ba3 h LYS 32 CO -0.01 0.51 0.14 -0.22 -2.06 0.00 0.00 179.45 177.81 2ba3 h LYS 33 N 0.32 0.64 0.16 3.15 1.63 -1.11 -0.53 116.57 120.83 2ba3 h LYS 33 Ca 0.10 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 2ba3 h LYS 33 Cb 0.24 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 2ba3 h LYS 33 CO -0.00 0.62 -0.08 0.00 -3.45 0.00 0.00 179.45 176.53 2ba3 h ALA 34 N 0.99 -0.22 -0.48 5.00 0.00 -0.65 0.77 119.26 124.67 2ba3 h ALA 34 Ca 0.14 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2ba3 h ALA 34 Cb 0.23 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2ba3 h ALA 34 CO -0.01 -0.63 0.03 1.49 0.00 0.00 0.00 179.25 180.14 2ba3 h GLU 35 N -0.22 0.76 -0.31 0.00 4.81 -1.16 0.19 114.58 118.65 2ba3 h GLU 35 Ca -0.02 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 58.95 2ba3 h GLU 35 Cb 0.17 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2ba3 h GLU 35 CO 0.03 0.75 -0.10 0.22 -0.73 0.00 0.00 179.01 179.19 2ba3 h ASP 36 N 0.72 0.63 0.98 1.04 3.58 -0.83 -2.47 116.42 120.06 2ba3 h ASP 36 Ca 0.15 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 57.22 2ba3 h ASP 36 Cb 0.39 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2ba3 h ASP 36 CO 0.01 0.86 0.00 -0.24 -2.88 0.00 0.00 179.24 177.00 2ba3 n SER 37 N -4.44 0.73 0.00 2.28 2.88 0.24 -4.91 113.62 110.41 2ba3 n SER 37 Ca -0.03 0.64 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 2ba3 n SER 37 Cb 0.34 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 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 0.43 0.50 3.24 0.46 0.00 -0.02 -5.01 105.19 104.79 2ba3 n GLY 38 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 2.86 0.92 0.99 1.43 -0.76 -4.98 118.68 119.14 2ba3 s LEU 39 Ca 0.00 -0.60 -0.15 0.00 -1.03 0.00 0.00 54.13 52.35 2ba3 s LEU 39 Cb 0.00 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 2ba3 s LEU 39 CO 0.00 -0.05 0.05 1.07 0.23 0.00 0.00 176.35 177.64 2ba3 n THR 40 N 4.73 0.25 -0.30 5.49 5.66 -1.26 -4.09 114.28 124.77 2ba3 n THR 40 Ca -0.18 -0.32 0.13 0.00 -3.05 0.00 0.00 64.05 60.62 2ba3 n THR 40 Cb 0.49 -0.43 0.29 0.00 -1.55 0.00 0.00 70.33 69.13 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 -1.17 0.35 -0.70 1.08 2.07 -1.89 0.15 116.25 116.13 2ba3 h VAL 41 Ca -0.44 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 2ba3 h VAL 41 Cb 1.30 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 2ba3 h VAL 41 CO 0.32 0.04 0.32 0.77 0.02 0.00 0.00 177.57 179.04 2ba3 h SER 42 N 0.24 0.94 -0.00 0.57 4.64 -1.99 0.11 113.55 118.05 2ba3 h SER 42 Ca 0.55 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.72 2ba3 h SER 42 Cb 1.09 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2ba3 h SER 42 CO -0.63 0.83 -0.00 0.00 -0.87 0.00 0.00 176.83 176.16 2ba3 h ALA 43 N 1.15 0.00 -0.30 5.18 0.00 -1.21 -1.50 119.26 122.58 2ba3 h ALA 43 Ca 0.24 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.02 2ba3 h ALA 43 Cb 0.15 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 2ba3 h ALA 43 CO -0.03 -0.31 -0.16 -0.92 0.00 0.00 0.00 179.25 177.84 2ba3 h TYR 44 N -0.38 -0.39 0.43 0.00 5.03 -0.60 0.19 116.97 121.24 2ba3 h TYR 44 Ca 0.00 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 2ba3 h TYR 44 Cb 0.39 0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.87 2ba3 h TYR 44 CO 0.06 -0.23 -0.38 0.82 -1.32 0.00 0.00 178.16 177.11 2ba3 h ILE 45 N -0.12 0.00 -0.46 1.81 1.08 -0.78 0.34 117.51 119.38 2ba3 h ILE 45 Ca 0.16 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.64 2ba3 h ILE 45 Cb 0.36 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.08 2ba3 h ILE 45 CO -0.38 0.00 0.28 0.08 -0.69 0.00 0.00 178.15 177.44 2ba3 h ARG 46 N -0.79 0.55 0.14 2.37 0.11 -1.07 -0.34 114.38 115.34 2ba3 h ARG 46 Ca -0.05 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.00 2ba3 h ARG 46 Cb 0.67 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.62 2ba3 h ARG 46 CO -0.02 0.36 -0.14 -0.97 0.10 0.00 0.00 179.97 179.30 2ba3 h ASN 47 N 0.56 -0.37 0.57 0.08 -1.24 -0.54 0.40 115.58 115.04 2ba3 h ASN 47 Ca 0.18 0.04 -0.05 0.00 0.71 0.00 0.00 56.30 57.18 2ba3 h ASN 47 Cb -0.01 0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.17 2ba3 h ASN 47 CO -0.07 -0.21 -0.22 0.00 -1.29 0.00 0.00 177.43 175.63 2ba3 h ALA 48 N 0.53 1.19 0.20 1.57 0.00 -0.83 -1.45 119.26 120.47 2ba3 h ALA 48 Ca 0.00 -0.20 -0.28 0.00 0.00 0.00 0.00 54.91 54.43 2ba3 h ALA 48 Cb 0.29 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.07 2ba3 h ALA 48 CO -0.04 0.28 -1.24 0.00 0.00 0.00 0.00 179.25 178.25 2ba3 h ALA 49 N 1.78 -0.10 -0.08 0.00 0.00 -0.58 -3.37 119.26 116.91 2ba3 h ALA 49 Ca -0.00 -0.83 -0.11 0.00 0.00 0.00 0.00 54.91 53.97 2ba3 h ALA 49 Cb 0.57 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2ba3 h ALA 49 CO 0.03 0.60 -0.37 -0.07 0.00 0.00 0.00 179.25 179.44 2ba3 h LEU 50 N -0.08 0.47 0.00 0.00 3.38 -0.87 -3.51 115.31 114.70 2ba3 h LEU 50 Ca -0.22 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.11 2ba3 h LEU 50 Cb 1.94 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.56 2ba3 h LEU 50 CO 0.21 1.03 0.00 0.59 0.09 0.00 0.00 178.44 180.36