#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 1.38 -4.65 6.43 9.92 -1.26 -5.01 116.55 123.37 2ba3 n ASP 2 Ca 0.00 -0.24 -0.43 0.00 -0.53 0.00 0.00 54.79 53.59 2ba3 n ASP 2 Cb 0.00 0.76 -0.02 0.00 -0.64 0.00 0.00 41.12 41.21 2ba3 n ASP 2 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2ba3 s SER 3 N -1.03 6.73 0.01 -2.24 0.15 -1.26 -4.90 113.70 111.16 2ba3 s SER 3 Ca 0.00 1.63 0.22 0.00 0.70 0.00 0.00 55.95 58.50 2ba3 s SER 3 Cb 0.00 -2.54 -0.13 0.00 -1.71 0.00 0.00 66.02 61.64 2ba3 s SER 3 CO 0.00 -0.96 0.88 0.00 1.20 0.00 0.00 173.24 174.37 2ba3 n ALA 4 N 7.28 3.96 -4.12 5.45 0.00 -1.26 -5.00 120.51 126.82 2ba3 n ALA 4 Ca 0.15 -0.52 -0.33 0.00 0.00 0.00 0.00 53.44 52.75 2ba3 n ALA 4 Cb 0.45 -0.84 -0.08 0.00 0.00 0.00 0.00 19.45 18.98 2ba3 n ALA 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ba3 n VAL 5 N -1.76 -0.39 -2.16 0.00 0.31 -1.26 -4.88 118.33 108.19 2ba3 n VAL 5 Ca 0.02 -0.20 -0.42 0.00 -0.01 0.00 0.00 64.34 63.74 2ba3 n VAL 5 Cb 0.40 -0.63 -0.03 0.00 -0.91 0.00 0.00 33.84 32.67 2ba3 n VAL 5 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2ba3 s ARG 6 N -6.61 4.34 0.00 5.55 1.81 -1.26 -4.86 118.95 117.92 2ba3 s ARG 6 Ca 0.40 2.11 0.00 0.00 -1.72 0.00 0.00 55.73 56.52 2ba3 s ARG 6 Cb -0.23 -3.20 0.00 0.00 -0.45 0.00 0.00 34.95 31.07 2ba3 s ARG 6 CO 0.88 -0.37 0.00 1.17 -0.68 0.00 0.00 175.30 176.31 2ba3 n LYS 7 N 3.19 4.96 -3.08 3.54 4.81 -1.26 -5.00 118.16 125.32 2ba3 n LYS 7 Ca 0.09 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.49 2ba3 n LYS 7 Cb 0.42 -0.41 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 2ba3 n LYS 7 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2ba3 s LYS 8 N 0.00 0.89 0.22 1.64 -2.85 -1.26 -5.03 119.74 113.35 2ba3 s LYS 8 Ca 0.00 -0.69 -0.08 0.00 -1.00 0.00 0.00 55.97 54.20 2ba3 s LYS 8 Cb 0.00 -0.11 0.31 0.00 -2.06 0.00 0.00 37.83 35.98 2ba3 s LYS 8 CO 0.00 -1.25 1.75 0.77 0.10 0.00 0.00 175.35 176.72 2ba3 h SER 9 N 6.26 0.26 -5.08 0.03 0.02 -2.00 -3.44 113.55 109.61 2ba3 h SER 9 Ca 0.06 0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 2ba3 h SER 9 Cb 1.13 0.05 -0.13 0.00 0.14 0.00 0.00 62.40 63.60 2ba3 h SER 9 CO 0.09 0.15 -0.06 -1.61 -1.14 0.00 0.00 176.83 174.26 2ba3 s GLU 10 N -6.08 1.08 -0.26 3.45 2.02 -1.26 -5.15 118.70 112.51 2ba3 s GLU 10 Ca -0.13 -0.71 -0.02 0.00 0.02 0.00 0.00 54.97 54.13 2ba3 s GLU 10 Cb 0.18 0.47 0.11 0.00 0.10 0.00 0.00 34.13 34.99 2ba3 s GLU 10 CO 0.75 -0.43 0.23 0.08 0.02 0.00 0.00 175.26 175.92 2ba3 s VAL 11 N -3.81 -0.31 0.15 2.63 1.01 -1.26 -5.04 120.40 113.78 2ba3 s VAL 11 Ca 0.03 -0.40 -0.22 0.00 0.00 0.00 0.00 61.98 61.39 2ba3 s VAL 11 Cb 0.02 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.55 2ba3 s VAL 11 CO -0.12 -0.42 1.64 0.03 0.00 0.00 0.00 175.10 176.23 2ba3 h ARG 12 N 8.31 -0.21 -3.23 2.72 3.08 -2.01 -3.29 114.38 119.76 2ba3 h ARG 12 Ca -0.16 0.01 -0.63 0.00 0.07 0.00 0.00 59.98 59.28 2ba3 h ARG 12 Cb 1.09 0.05 -0.41 0.00 0.08 0.00 0.00 29.97 30.78 2ba3 h ARG 12 CO 0.34 -0.14 -0.61 1.14 -1.07 0.00 0.00 179.97 179.63 2ba3 s GLN 13 N -6.11 2.20 0.28 0.04 -2.07 -1.26 -4.95 119.66 107.79 2ba3 s GLN 13 Ca -0.15 -2.96 0.01 0.00 -1.82 0.00 0.00 55.36 50.44 2ba3 s GLN 13 Cb 0.12 -3.34 0.42 0.00 -1.09 0.00 0.00 33.01 29.11 2ba3 s GLN 13 CO 0.68 -1.20 1.77 1.57 -1.32 0.00 0.00 175.29 176.80 2ba3 h LYS 14 N 5.96 0.65 -7.46 9.60 2.10 -1.99 -3.44 116.57 121.99 2ba3 h LYS 14 Ca 0.03 -0.18 -0.48 0.00 -2.00 0.00 0.00 60.65 58.02 2ba3 h LYS 14 Cb 0.83 -0.07 0.08 0.00 -0.90 0.00 0.00 32.23 32.17 2ba3 h LYS 14 CO 0.70 0.72 0.36 -0.08 -2.00 0.00 0.00 179.45 179.14 2ba3 s THR 15 N -4.85 2.81 0.22 0.07 -1.32 -1.26 -5.11 115.64 106.20 2ba3 s THR 15 Ca -0.08 0.14 0.11 0.00 -1.21 0.00 0.00 61.69 60.65 2ba3 s THR 15 Cb 0.15 -3.24 -0.05 0.00 -1.51 0.00 0.00 72.50 67.85 2ba3 s THR 15 CO 0.79 -0.29 -0.20 -0.69 -2.21 0.00 0.00 174.62 172.02 2ba3 s VAL 16 N -3.37 2.54 -0.09 5.08 1.01 -1.26 -5.14 120.40 119.16 2ba3 s VAL 16 Ca 0.59 -2.11 -0.04 0.00 0.00 0.00 0.00 61.98 60.42 2ba3 s VAL 16 Cb -0.11 -2.27 0.05 0.00 0.00 0.00 0.00 36.38 34.05 2ba3 s VAL 16 CO 0.49 -0.22 0.19 0.54 0.00 0.00 0.00 175.10 176.09 2ba3 s VAL 17 N -1.99 -0.22 0.19 2.92 0.11 -1.26 -5.16 120.40 115.00 2ba3 s VAL 17 Ca 0.25 0.28 -0.16 0.00 -2.93 0.00 0.00 61.98 59.41 2ba3 s VAL 17 Cb -0.07 -0.32 0.02 0.00 -1.53 0.00 0.00 36.38 34.48 2ba3 s VAL 17 CO 0.13 0.12 0.49 -0.60 -3.33 0.00 0.00 175.10 171.90 2ba3 s ARG 18 N 1.94 1.36 -0.12 1.54 3.52 -1.26 -5.16 118.95 120.77 2ba3 s ARG 18 Ca -0.02 -0.92 -0.03 0.00 -0.13 0.00 0.00 55.73 54.64 2ba3 s ARG 18 Cb -0.12 0.50 -0.03 0.00 -1.56 0.00 0.00 34.95 33.74 2ba3 s ARG 18 CO -0.07 -0.57 -0.02 0.99 -0.81 0.00 0.00 175.30 174.83 2ba3 s THR 19 N -3.89 4.13 -0.23 4.11 2.01 -1.26 -5.10 115.64 115.41 2ba3 s THR 19 Ca 0.11 -0.30 -0.01 0.00 0.31 0.00 0.00 61.69 61.80 2ba3 s THR 19 Cb -0.00 -2.77 0.06 0.00 0.01 0.00 0.00 72.50 69.80 2ba3 s THR 19 CO -0.02 0.55 0.00 -0.76 -0.69 0.00 0.00 174.62 173.70 2ba3 s LEU 20 N -0.30 2.00 0.46 4.42 1.43 -1.26 -5.12 118.68 120.32 2ba3 s LEU 20 Ca 0.06 -1.10 -0.20 0.00 -1.03 0.00 0.00 54.13 51.86 2ba3 s LEU 20 Cb -0.12 -0.91 -0.10 0.00 0.03 0.00 0.00 46.19 45.09 2ba3 s LEU 20 CO 0.02 -0.29 0.99 -0.13 0.23 0.00 0.00 176.35 177.17 2ba3 s ARG 21 N 1.60 4.03 0.10 1.70 1.81 -1.26 -5.08 118.95 121.84 2ba3 s ARG 21 Ca -0.02 1.21 -0.05 0.00 -1.72 0.00 0.00 55.73 55.15 2ba3 s ARG 21 Cb -0.18 -2.14 -0.02 0.00 -0.45 0.00 0.00 34.95 32.16 2ba3 s ARG 21 CO -0.09 -0.22 0.12 -0.06 -0.68 0.00 0.00 175.30 174.38 2ba3 s PHE 22 N -2.13 0.41 0.52 -0.53 0.40 -1.26 -5.15 117.98 110.24 2ba3 s PHE 22 Ca 0.64 -0.85 0.00 0.00 -0.60 0.00 0.00 56.93 56.12 2ba3 s PHE 22 Cb -0.12 -0.22 0.02 0.00 0.51 0.00 0.00 43.02 43.21 2ba3 s PHE 22 CO 0.17 -0.52 0.75 -1.12 0.70 0.00 0.00 175.22 175.19 2ba3 s SER 23 N -2.93 5.49 0.46 1.36 0.01 -1.26 -4.89 113.70 111.95 2ba3 s SER 23 Ca 0.11 0.15 0.15 0.00 1.31 0.00 0.00 55.95 57.67 2ba3 s SER 23 Cb 0.06 -1.17 1.07 0.00 0.21 0.00 0.00 66.02 66.19 2ba3 s SER 23 CO -0.07 -0.98 2.02 1.55 0.41 0.00 0.00 173.24 176.17 2ba3 h PRO 24 N 0.17 0.00 0.27 12.44 0.13 -2.03 0.58 132.00 143.55 2ba3 h PRO 24 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 2ba3 h PRO 24 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2ba3 h PRO 24 CO 0.55 0.15 -0.13 0.28 -0.23 0.00 0.00 178.00 178.62 2ba3 h VAL 25 N 0.00 0.72 -0.61 1.56 2.07 -1.99 -1.47 116.25 116.54 2ba3 h VAL 25 Ca -0.00 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.79 2ba3 h VAL 25 Cb 0.26 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2ba3 h VAL 25 CO 0.02 0.14 0.39 -0.33 0.02 0.00 0.00 177.57 177.81 2ba3 h GLU 26 N -0.79 0.77 -0.13 1.57 5.08 -1.89 -1.64 114.58 117.55 2ba3 h GLU 26 Ca -0.04 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2ba3 h GLU 26 Cb 0.51 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2ba3 h GLU 26 CO 0.06 0.51 0.06 0.22 -1.00 0.00 0.00 179.01 178.86 2ba3 h ASP 27 N 0.79 0.17 -0.77 1.42 3.58 -0.94 0.68 116.42 121.35 2ba3 h ASP 27 Ca 0.23 -0.11 0.01 0.00 0.42 0.00 0.00 57.03 57.59 2ba3 h ASP 27 Cb -0.05 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 40.92 2ba3 h ASP 27 CO -0.07 0.23 0.51 -0.08 -2.88 0.00 0.00 179.24 176.94 2ba3 h GLU 28 N 0.09 1.00 0.88 0.28 4.81 -1.03 0.17 114.58 120.77 2ba3 h GLU 28 Ca 0.04 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 2ba3 h GLU 28 Cb 0.10 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 29.27 2ba3 h GLU 28 CO -0.01 0.66 -0.42 1.15 -0.73 0.00 0.00 179.01 179.66 2ba3 h THR 29 N 1.03 0.00 -0.97 0.32 2.02 -0.94 -0.51 112.91 113.85 2ba3 h THR 29 Ca 0.29 -0.11 0.05 0.00 0.77 0.00 0.00 66.41 67.41 2ba3 h THR 29 Cb -0.09 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.26 2ba3 h THR 29 CO -0.07 0.00 0.63 0.40 0.37 0.00 0.00 175.52 176.85 2ba3 h ILE 30 N -1.29 1.12 -0.30 3.11 2.04 -0.78 0.36 117.51 121.77 2ba3 h ILE 30 Ca -0.12 -0.40 -0.14 0.00 1.00 0.00 0.00 64.86 65.20 2ba3 h ILE 30 Cb 0.90 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2ba3 h ILE 30 CO 0.20 0.21 -0.38 -0.09 0.00 0.00 0.00 178.15 178.09 2ba3 h ARG 31 N 1.17 0.69 -0.03 2.37 2.43 -0.62 0.38 114.38 120.77 2ba3 h ARG 31 Ca 0.41 -0.34 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2ba3 h ARG 31 Cb 0.11 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2ba3 h ARG 31 CO -0.15 0.95 -0.03 0.87 -1.51 0.00 0.00 179.97 180.10 2ba3 h LYS 32 N 0.57 0.07 -0.27 0.20 6.56 -0.30 -2.60 116.57 120.80 2ba3 h LYS 32 Ca 0.05 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.58 2ba3 h LYS 32 Cb 0.90 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.56 2ba3 h LYS 32 CO 0.08 0.56 0.09 0.87 -2.06 0.00 0.00 179.45 178.99 2ba3 h LYS 33 N -0.41 0.42 0.35 3.15 6.56 -0.95 0.05 116.57 125.73 2ba3 h LYS 33 Ca 0.00 -0.09 -0.01 0.00 -1.06 0.00 0.00 60.65 59.49 2ba3 h LYS 33 Cb 0.55 -0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 32.14 2ba3 h LYS 33 CO 0.01 0.47 -0.20 0.00 -2.06 0.00 0.00 179.45 177.67 2ba3 h ALA 34 N 0.93 -0.52 -0.69 3.86 0.00 -1.00 0.15 119.26 121.98 2ba3 h ALA 34 Ca 0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2ba3 h ALA 34 Cb 0.22 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2ba3 h ALA 34 CO -0.00 -0.80 0.30 1.49 0.00 0.00 0.00 179.25 180.24 2ba3 h GLU 35 N -0.52 0.99 -0.32 0.00 4.81 -1.41 -1.56 114.58 116.57 2ba3 h GLU 35 Ca -0.04 -0.15 -0.15 0.00 -0.13 0.00 0.00 59.36 58.89 2ba3 h GLU 35 Cb 0.42 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2ba3 h GLU 35 CO 0.05 0.79 -0.39 0.22 -0.73 0.00 0.00 179.01 178.95 2ba3 h ASP 36 N 0.98 0.81 0.50 1.04 3.58 -0.82 -1.78 116.42 120.73 2ba3 h ASP 36 Ca 0.24 -0.36 0.00 0.00 0.42 0.00 0.00 57.03 57.32 2ba3 h ASP 36 Cb 0.14 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.97 2ba3 h ASP 36 CO -0.03 1.10 0.00 -0.24 -2.88 0.00 0.00 179.24 177.20 2ba3 n SER 37 N -4.04 0.00 0.00 2.28 2.88 0.50 -4.87 113.62 110.36 2ba3 n SER 37 Ca -0.02 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2ba3 n SER 37 Cb 0.53 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 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 0.33 0.37 3.93 0.46 0.00 -0.66 -5.00 105.19 104.62 2ba3 n GLY 38 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 4.12 0.51 0.99 1.43 -0.76 -4.98 118.68 119.98 2ba3 s LEU 39 Ca 0.00 -0.07 -0.15 0.00 -1.03 0.00 0.00 54.13 52.88 2ba3 s LEU 39 Cb 0.00 -2.69 -0.07 0.00 0.03 0.00 0.00 46.19 43.46 2ba3 s LEU 39 CO 0.00 -0.13 0.95 0.28 0.23 0.00 0.00 176.35 177.68 2ba3 s THR 40 N -2.06 4.60 0.31 5.49 -1.32 -1.26 -3.83 115.64 117.56 2ba3 s THR 40 Ca 0.36 1.08 0.06 0.00 -1.21 0.00 0.00 61.69 61.97 2ba3 s THR 40 Cb -0.09 -3.74 0.30 0.00 -1.51 0.00 0.00 72.50 67.47 2ba3 s THR 40 CO 0.28 -0.72 1.79 0.58 -2.21 0.00 0.00 174.62 174.34 2ba3 h VAL 41 N 0.80 0.73 0.04 5.08 2.07 -1.89 0.77 116.25 123.85 2ba3 h VAL 41 Ca -0.47 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 2ba3 h VAL 41 Cb 1.19 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2ba3 h VAL 41 CO 0.62 0.14 -0.02 0.77 0.02 0.00 0.00 177.57 179.10 2ba3 h SER 42 N 0.78 -0.05 -0.12 0.57 4.64 -1.99 -1.99 113.55 115.39 2ba3 h SER 42 Ca 0.57 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 2ba3 h SER 42 Cb 0.86 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 2ba3 h SER 42 CO -0.36 0.03 0.08 0.00 -0.87 0.00 0.00 176.83 175.71 2ba3 h ALA 43 N 0.82 0.15 -0.47 5.18 0.00 -1.61 -2.55 119.26 120.79 2ba3 h ALA 43 Ca -0.01 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 2ba3 h ALA 43 Cb 0.11 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.78 2ba3 h ALA 43 CO 0.01 -0.37 -0.08 -0.92 0.00 0.00 0.00 179.25 177.90 2ba3 h TYR 44 N 0.16 -0.18 0.39 0.00 3.20 -0.81 0.86 116.97 120.59 2ba3 h TYR 44 Ca 0.05 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 2ba3 h TYR 44 Cb -0.01 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 2ba3 h TYR 44 CO -0.08 -0.17 -0.25 0.82 -1.64 0.00 0.00 178.16 176.84 2ba3 h ILE 45 N 0.03 0.00 -0.89 1.81 1.08 -1.15 -0.47 117.51 117.93 2ba3 h ILE 45 Ca 0.23 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.82 2ba3 h ILE 45 Cb 0.35 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.01 2ba3 h ILE 45 CO -0.45 0.00 0.51 0.08 -0.69 0.00 0.00 178.15 177.60 2ba3 h ARG 46 N -0.60 0.77 0.54 2.37 0.11 -1.25 -0.19 114.38 116.13 2ba3 h ARG 46 Ca -0.05 -0.05 -0.03 0.00 0.10 0.00 0.00 59.98 59.95 2ba3 h ARG 46 Cb 0.49 -0.17 0.01 0.00 1.11 0.00 0.00 29.97 31.40 2ba3 h ARG 46 CO 0.05 0.51 -0.26 -0.97 0.10 0.00 0.00 179.97 179.39 2ba3 h ASN 47 N 0.79 -0.62 0.08 0.08 -1.24 -0.76 -2.26 115.58 111.65 2ba3 h ASN 47 Ca 0.46 -0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.44 2ba3 h ASN 47 Cb 0.53 0.16 -0.00 0.00 0.73 0.00 0.00 38.32 39.73 2ba3 h ASN 47 CO -0.30 -0.38 -0.07 0.00 -1.29 0.00 0.00 177.43 175.39 2ba3 h ALA 48 N -0.41 1.84 0.00 1.57 0.00 -0.69 -1.58 119.26 119.98 2ba3 h ALA 48 Ca -0.07 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 2ba3 h ALA 48 Cb 0.60 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2ba3 h ALA 48 CO 0.12 0.09 -0.56 0.00 0.00 0.00 0.00 179.25 178.90 2ba3 h ALA 49 N 1.93 0.71 0.11 0.00 0.00 -0.88 -3.33 119.26 117.79 2ba3 h ALA 49 Ca -0.00 -0.51 -0.32 0.00 0.00 0.00 0.00 54.91 54.08 2ba3 h ALA 49 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2ba3 h ALA 49 CO 0.01 0.70 -1.72 -0.07 0.00 0.00 0.00 179.25 178.17 2ba3 h LEU 50 N 0.00 0.35 0.00 0.00 3.38 -0.92 -3.51 115.31 114.62 2ba3 h LEU 50 Ca -0.01 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.12 2ba3 h LEU 50 Cb 1.31 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2ba3 h LEU 50 CO 0.07 1.74 0.00 0.59 0.09 0.00 0.00 178.44 180.93