#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 -0.66 -3.64 -3.46 5.75 -1.26 -5.17 116.55 108.11 2ba3 n ASP 2 Ca 0.00 -1.32 -0.17 0.00 -0.01 0.00 0.00 54.79 53.30 2ba3 n ASP 2 Cb 0.00 1.07 -0.15 0.00 -1.03 0.00 0.00 41.12 41.01 2ba3 n ASP 2 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2ba3 s SER 3 N -2.02 0.79 0.30 -1.12 1.04 -1.26 -5.01 113.70 106.42 2ba3 s SER 3 Ca 0.10 0.29 0.23 0.00 0.48 0.00 0.00 55.95 57.05 2ba3 s SER 3 Cb -0.01 0.37 1.11 0.00 0.10 0.00 0.00 66.02 67.59 2ba3 s SER 3 CO 0.02 -0.26 1.69 0.00 0.98 0.00 0.00 173.24 175.67 2ba3 n ALA 4 N 5.33 1.29 0.29 5.32 0.00 -1.26 -2.74 120.51 128.75 2ba3 n ALA 4 Ca -0.05 0.16 0.16 0.00 0.00 0.00 0.00 53.44 53.71 2ba3 n ALA 4 Cb 0.50 -1.35 0.78 0.00 0.00 0.00 0.00 19.45 19.38 2ba3 n ALA 4 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2ba3 h VAL 5 N 0.00 0.00 -3.71 0.00 3.04 -2.09 -3.45 116.25 110.04 2ba3 h VAL 5 Ca 0.00 -0.18 -0.46 0.00 -1.01 0.00 0.00 66.70 65.05 2ba3 h VAL 5 Cb 0.15 1.00 0.18 0.00 -2.01 0.00 0.00 31.29 30.61 2ba3 h VAL 5 CO 0.00 0.00 0.14 -0.13 -1.01 0.00 0.00 177.57 176.57 2ba3 s ARG 6 N -3.71 0.11 -0.62 4.17 1.81 -1.11 -5.01 118.95 114.59 2ba3 s ARG 6 Ca -0.01 0.81 0.06 0.00 -1.72 0.00 0.00 55.73 54.87 2ba3 s ARG 6 Cb 0.10 -1.68 0.26 0.00 -0.45 0.00 0.00 34.95 33.18 2ba3 s ARG 6 CO 0.39 -3.03 0.76 1.17 -0.68 0.00 0.00 175.30 173.92 2ba3 n LYS 7 N -4.42 2.55 0.07 3.54 4.81 -1.26 -4.93 118.16 118.52 2ba3 n LYS 7 Ca 0.05 -4.65 -0.13 0.00 -0.87 0.00 0.00 58.31 52.72 2ba3 n LYS 7 Cb 0.55 -2.22 -0.09 0.00 0.02 0.00 0.00 35.03 33.29 2ba3 n LYS 7 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2ba3 h LYS 8 N 4.03 -0.18 -7.18 1.64 3.64 -1.96 -3.44 116.57 113.11 2ba3 h LYS 8 Ca 0.19 0.01 -0.48 0.00 -1.27 0.00 0.00 60.65 59.10 2ba3 h LYS 8 Cb 0.65 0.04 0.03 0.00 -0.41 0.00 0.00 32.23 32.54 2ba3 h LYS 8 CO 0.82 0.14 0.38 -1.12 -2.27 0.00 0.00 179.45 177.40 2ba3 s SER 9 N -5.32 6.42 0.00 4.20 0.01 -1.26 -4.96 113.70 112.79 2ba3 s SER 9 Ca -0.15 1.65 0.00 0.00 1.31 0.00 0.00 55.95 58.76 2ba3 s SER 9 Cb 0.03 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.74 2ba3 s SER 9 CO 0.61 -0.73 0.00 -1.84 0.41 0.00 0.00 173.24 171.70 2ba3 n GLU 10 N -1.63 0.00 -1.68 12.44 -0.00 -1.26 -4.84 120.64 123.67 2ba3 n GLU 10 Ca 0.07 0.00 -0.48 0.00 -0.00 0.00 0.00 57.16 56.75 2ba3 n GLU 10 Cb 0.54 -0.09 -0.05 0.00 -0.00 0.00 0.00 31.44 31.84 2ba3 n GLU 10 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 2ba3 n VAL 11 N 0.00 0.47 -3.42 3.84 3.14 -1.26 -1.71 118.33 119.39 2ba3 n VAL 11 Ca 0.00 -0.08 -0.24 0.00 -2.96 0.00 0.00 64.34 61.05 2ba3 n VAL 11 Cb 0.08 -1.79 0.00 0.00 -1.06 0.00 0.00 33.84 31.07 2ba3 n VAL 11 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2ba3 n ARG 12 N 6.00 -3.76 -1.57 1.45 0.63 -1.26 -0.12 116.66 118.02 2ba3 n ARG 12 Ca 0.22 0.53 -0.20 0.00 -0.92 0.00 0.00 57.85 57.48 2ba3 n ARG 12 Cb 0.29 -5.28 -0.08 0.00 0.45 0.00 0.00 32.46 27.84 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 -3.89 -1.46 -4.13 -0.14 6.02 -0.69 -2.45 117.38 110.63 2ba3 n GLN 13 Ca -0.02 1.18 -0.35 0.00 -0.01 0.00 0.00 57.00 57.81 2ba3 n GLN 13 Cb 0.55 -5.57 -0.04 0.00 1.02 0.00 0.00 30.24 26.20 2ba3 n GLN 13 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2ba3 n LYS 14 N -2.25 -2.32 -0.67 -1.09 2.85 0.83 -4.85 118.16 110.67 2ba3 n LYS 14 Ca -0.20 0.28 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 2ba3 n LYS 14 Cb 0.67 -4.94 0.00 0.00 -0.65 0.00 0.00 35.03 30.10 2ba3 n LYS 14 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 2ba3 n THR 15 N -4.09 0.00 -3.94 0.58 5.66 -1.03 -5.09 114.28 106.37 2ba3 n THR 15 Ca 0.08 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.98 2ba3 n THR 15 Cb 0.48 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.16 2ba3 n THR 15 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2ba3 s VAL 16 N -2.98 0.10 -0.17 1.08 1.01 -1.26 -4.88 120.40 113.30 2ba3 s VAL 16 Ca 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 2ba3 s VAL 16 Cb 0.00 -0.34 0.08 0.00 0.00 0.00 0.00 36.38 36.12 2ba3 s VAL 16 CO 0.00 -0.46 0.22 0.54 0.00 0.00 0.00 175.10 175.40 2ba3 s VAL 17 N -1.47 -0.33 0.12 2.92 0.11 -1.26 -5.14 120.40 115.35 2ba3 s VAL 17 Ca -0.15 0.05 -0.09 0.00 -2.93 0.00 0.00 61.98 58.86 2ba3 s VAL 17 Cb -0.09 -0.56 -0.00 0.00 -1.53 0.00 0.00 36.38 34.20 2ba3 s VAL 17 CO -0.00 -0.07 0.24 -0.60 -3.33 0.00 0.00 175.10 171.34 2ba3 s ARG 18 N 2.34 0.98 -0.08 1.54 3.52 -1.26 -5.15 118.95 120.84 2ba3 s ARG 18 Ca 0.05 -1.01 -0.16 0.00 -0.13 0.00 0.00 55.73 54.47 2ba3 s ARG 18 Cb -0.14 0.37 -0.05 0.00 -1.56 0.00 0.00 34.95 33.57 2ba3 s ARG 18 CO -0.10 -0.34 0.43 0.99 -0.81 0.00 0.00 175.30 175.46 2ba3 s THR 19 N -3.89 5.14 0.26 4.11 2.01 -1.26 -5.09 115.64 116.92 2ba3 s THR 19 Ca 0.09 0.85 0.10 0.00 0.31 0.00 0.00 61.69 63.05 2ba3 s THR 19 Cb 0.04 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 2ba3 s THR 19 CO -0.07 0.43 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.98 2ba3 s LEU 20 N -0.01 2.96 0.08 4.42 1.98 -1.26 -5.15 118.68 121.70 2ba3 s LEU 20 Ca 0.24 -0.77 0.06 0.00 -2.89 0.00 0.00 54.13 50.77 2ba3 s LEU 20 Cb -0.15 -1.49 -0.03 0.00 0.66 0.00 0.00 46.19 45.17 2ba3 s LEU 20 CO 0.10 0.03 -0.16 -0.13 -1.89 0.00 0.00 176.35 174.30 2ba3 s ARG 21 N -3.52 0.92 0.01 1.98 1.81 -1.26 -5.16 118.95 113.74 2ba3 s ARG 21 Ca 0.30 -1.03 -0.04 0.00 -1.72 0.00 0.00 55.73 53.25 2ba3 s ARG 21 Cb -0.06 -1.00 -0.01 0.00 -0.45 0.00 0.00 34.95 33.43 2ba3 s ARG 21 CO 0.18 0.23 0.05 -0.06 -0.68 0.00 0.00 175.30 175.01 2ba3 s PHE 22 N -1.27 0.15 0.50 -0.53 0.08 -1.26 -5.11 117.98 110.54 2ba3 s PHE 22 Ca 0.01 -0.33 -0.05 0.00 0.12 0.00 0.00 56.93 56.68 2ba3 s PHE 22 Cb -0.10 -0.12 0.11 0.00 -0.57 0.00 0.00 43.02 42.34 2ba3 s PHE 22 CO 0.03 -0.23 0.68 0.43 -0.10 0.00 0.00 175.22 176.02 2ba3 n SER 23 N 1.55 0.39 0.19 1.36 7.64 -1.26 -4.81 113.62 118.67 2ba3 n SER 23 Ca -0.23 -1.45 -0.14 0.00 1.01 0.00 0.00 58.87 58.06 2ba3 n SER 23 Cb 0.55 -0.49 -0.08 0.00 -1.01 0.00 0.00 64.21 63.18 2ba3 n SER 23 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2ba3 h PRO 24 N 0.00 -0.48 -0.81 1.43 0.13 -2.03 -2.32 132.00 127.93 2ba3 h PRO 24 Ca -0.22 0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.92 2ba3 h PRO 24 Cb 0.69 0.11 -0.04 0.00 0.13 0.00 0.00 31.00 31.89 2ba3 h PRO 24 CO 0.19 -0.18 0.42 0.28 -0.23 0.00 0.00 178.00 178.48 2ba3 h VAL 25 N -0.78 1.25 0.01 1.56 2.07 -1.98 -1.60 116.25 116.77 2ba3 h VAL 25 Ca -0.05 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.82 2ba3 h VAL 25 Cb 0.52 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2ba3 h VAL 25 CO 0.08 0.29 -0.06 -0.33 0.02 0.00 0.00 177.57 177.57 2ba3 h GLU 26 N 1.14 -0.11 -0.27 1.57 5.08 -1.93 -0.33 114.58 119.72 2ba3 h GLU 26 Ca 0.28 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 2ba3 h GLU 26 Cb 0.08 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2ba3 h GLU 26 CO -0.04 -0.08 0.05 0.22 -1.00 0.00 0.00 179.01 178.16 2ba3 h ASP 27 N -0.12 0.43 -0.10 1.42 3.58 -1.29 -0.88 116.42 119.46 2ba3 h ASP 27 Ca 0.02 -0.26 0.04 0.00 0.42 0.00 0.00 57.03 57.26 2ba3 h ASP 27 Cb 0.14 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.03 2ba3 h ASP 27 CO -0.06 0.58 -0.19 -0.08 -2.88 0.00 0.00 179.24 176.61 2ba3 h GLU 28 N 0.27 -0.25 0.34 0.28 4.81 -1.13 0.97 114.58 119.87 2ba3 h GLU 28 Ca 0.08 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2ba3 h GLU 28 Cb 0.33 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2ba3 h GLU 28 CO 0.00 -0.17 -0.16 1.15 -0.73 0.00 0.00 179.01 179.10 2ba3 h THR 29 N -0.26 0.68 -0.64 0.32 2.02 -1.04 -1.58 112.91 112.41 2ba3 h THR 29 Ca 0.09 -0.30 0.07 0.00 0.77 0.00 0.00 66.41 67.04 2ba3 h THR 29 Cb 0.39 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 67.58 2ba3 h THR 29 CO -0.25 0.06 0.31 0.40 0.37 0.00 0.00 175.52 176.41 2ba3 h ILE 30 N -0.63 0.88 -0.40 3.11 2.04 -0.99 0.20 117.51 121.73 2ba3 h ILE 30 Ca -0.05 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 2ba3 h ILE 30 Cb 0.45 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 2ba3 h ILE 30 CO 0.08 0.10 0.19 -0.09 0.00 0.00 0.00 178.15 178.43 2ba3 h ARG 31 N 0.56 0.58 -0.07 2.37 2.43 -0.74 0.69 114.38 120.21 2ba3 h ARG 31 Ca 0.30 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2ba3 h ARG 31 Cb 0.28 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2ba3 h ARG 31 CO -0.23 0.52 0.03 0.87 -1.51 0.00 0.00 179.97 179.65 2ba3 h LYS 32 N 0.51 0.10 0.08 0.20 6.56 -0.63 -0.81 116.57 122.58 2ba3 h LYS 32 Ca 0.14 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.71 2ba3 h LYS 32 Cb 0.13 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.78 2ba3 h LYS 32 CO -0.02 0.19 -0.04 -0.22 -2.06 0.00 0.00 179.45 177.31 2ba3 h LYS 33 N -0.02 -0.11 -0.38 3.15 1.63 -0.88 -1.95 116.57 118.01 2ba3 h LYS 33 Ca 0.02 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.87 2ba3 h LYS 33 Cb 0.13 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.74 2ba3 h LYS 33 CO -0.00 0.02 0.15 0.00 -3.45 0.00 0.00 179.45 176.17 2ba3 h ALA 34 N 0.69 0.45 0.00 5.00 0.00 -0.80 0.89 119.26 125.49 2ba3 h ALA 34 Ca -0.01 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2ba3 h ALA 34 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2ba3 h ALA 34 CO 0.02 -0.24 -0.11 1.49 0.00 0.00 0.00 179.25 180.41 2ba3 h GLU 35 N 0.31 0.00 0.09 0.00 4.81 -1.11 -0.76 114.58 117.93 2ba3 h GLU 35 Ca 0.17 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.08 2ba3 h GLU 35 Cb 0.13 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2ba3 h GLU 35 CO -0.16 0.11 -1.74 0.22 -0.73 0.00 0.00 179.01 176.70 2ba3 h ASP 36 N 0.00 0.30 0.80 1.04 3.58 -0.48 -3.33 116.42 118.34 2ba3 h ASP 36 Ca -0.00 -0.55 0.00 0.00 0.42 0.00 0.00 57.03 56.90 2ba3 h ASP 36 Cb 0.52 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2ba3 h ASP 36 CO 0.01 1.48 -0.34 -0.24 -2.88 0.00 0.00 179.24 177.27 2ba3 n SER 37 N -3.36 0.43 0.00 2.28 2.88 0.21 -4.93 113.62 111.13 2ba3 n SER 37 Ca -0.22 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 2ba3 n SER 37 Cb 1.05 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 64.43 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 1.45 2.55 3.61 0.46 0.00 -0.32 -5.00 105.19 107.94 2ba3 n GLY 38 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 3.71 0.67 0.99 1.43 -1.00 -4.91 118.68 119.57 2ba3 s LEU 39 Ca 0.00 0.98 -0.17 0.00 -1.03 0.00 0.00 54.13 53.91 2ba3 s LEU 39 Cb 0.00 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.61 2ba3 s LEU 39 CO 0.00 -1.29 0.42 1.07 0.23 0.00 0.00 176.35 176.78 2ba3 n THR 40 N 6.73 1.71 -0.37 5.49 5.66 -1.26 -4.25 114.28 127.99 2ba3 n THR 40 Ca 0.16 -0.44 0.29 0.00 -3.05 0.00 0.00 64.05 61.01 2ba3 n THR 40 Cb 0.47 -0.63 0.58 0.00 -1.55 0.00 0.00 70.33 69.20 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 -0.18 0.37 -0.07 1.08 2.07 -1.90 0.23 116.25 117.85 2ba3 h VAL 41 Ca -0.45 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 2ba3 h VAL 41 Cb 1.37 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2ba3 h VAL 41 CO 0.43 0.05 -0.11 0.77 0.02 0.00 0.00 177.57 178.73 2ba3 h SER 42 N 0.25 0.22 -0.60 0.57 4.64 -2.00 -2.83 113.55 113.80 2ba3 h SER 42 Ca 0.67 -0.54 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 2ba3 h SER 42 Cb 1.96 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 63.96 2ba3 h SER 42 CO -0.31 0.71 0.32 0.00 -0.87 0.00 0.00 176.83 176.69 2ba3 h ALA 43 N 0.51 0.77 -0.07 5.18 0.00 -1.05 -2.67 119.26 121.94 2ba3 h ALA 43 Ca 0.01 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2ba3 h ALA 43 Cb 0.67 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2ba3 h ALA 43 CO 0.03 0.30 -0.20 -0.92 0.00 0.00 0.00 179.25 178.46 2ba3 h TYR 44 N 0.82 -0.52 0.66 0.00 3.20 -0.74 -0.37 116.97 120.01 2ba3 h TYR 44 Ca 0.21 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 2ba3 h TYR 44 Cb 0.06 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2ba3 h TYR 44 CO -0.01 -0.28 -0.50 0.82 -1.64 0.00 0.00 178.16 176.55 2ba3 h ILE 45 N -0.28 0.00 -0.62 1.81 1.08 -1.37 -0.77 117.51 117.35 2ba3 h ILE 45 Ca 0.08 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.60 2ba3 h ILE 45 Cb 0.40 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.10 2ba3 h ILE 45 CO -0.23 0.00 0.35 0.08 -0.69 0.00 0.00 178.15 177.65 2ba3 h ARG 46 N -1.12 0.64 0.23 2.37 0.11 -1.41 -1.78 114.38 113.42 2ba3 h ARG 46 Ca -0.09 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.95 2ba3 h ARG 46 Cb 0.93 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 31.85 2ba3 h ARG 46 CO 0.03 0.42 -0.20 -0.97 0.10 0.00 0.00 179.97 179.35 2ba3 h ASN 47 N 0.66 -0.53 -0.28 0.08 -1.24 -0.92 -1.97 115.58 111.37 2ba3 h ASN 47 Ca 0.27 0.05 -0.03 0.00 0.71 0.00 0.00 56.30 57.30 2ba3 h ASN 47 Cb 0.14 0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.35 2ba3 h ASN 47 CO -0.16 -0.31 0.10 0.00 -1.29 0.00 0.00 177.43 175.77 2ba3 h ALA 48 N 0.26 1.51 -0.27 1.57 0.00 -1.00 -1.78 119.26 119.55 2ba3 h ALA 48 Ca -0.01 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 2ba3 h ALA 48 Cb 0.41 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2ba3 h ALA 48 CO -0.03 0.37 -0.40 0.00 0.00 0.00 0.00 179.25 179.19 2ba3 h ALA 49 N 1.60 0.41 -0.08 0.00 0.00 -1.08 -3.30 119.26 116.83 2ba3 h ALA 49 Ca 0.12 -0.45 -0.22 0.00 0.00 0.00 0.00 54.91 54.36 2ba3 h ALA 49 Cb 0.18 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2ba3 h ALA 49 CO -0.01 0.51 -0.82 -0.07 0.00 0.00 0.00 179.25 178.87 2ba3 h LEU 50 N 0.49 0.85 -0.51 0.00 3.38 -1.19 -3.51 115.31 114.82 2ba3 h LEU 50 Ca 0.03 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.31 2ba3 h LEU 50 Cb 0.99 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2ba3 h LEU 50 CO 0.09 1.41 0.00 0.59 0.09 0.00 0.00 178.44 180.62