#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ba3 s ASP 2 N 0.00 -0.02 -0.14 6.43 2.15 -1.26 -5.18 116.67 118.65 2ba3 s ASP 2 Ca 0.00 -0.82 -0.05 0.00 0.43 0.00 0.00 52.55 52.11 2ba3 s ASP 2 Cb 0.00 0.64 0.07 0.00 -0.30 0.00 0.00 42.92 43.33 2ba3 s ASP 2 CO 0.00 -1.26 0.28 -0.44 -0.17 0.00 0.00 175.17 173.58 2ba3 s SER 3 N -3.22 0.29 0.53 -0.34 0.01 -1.26 -5.03 113.70 104.68 2ba3 s SER 3 Ca 0.18 0.64 0.31 0.00 1.31 0.00 0.00 55.95 58.39 2ba3 s SER 3 Cb -0.04 0.78 1.47 0.00 0.21 0.00 0.00 66.02 68.45 2ba3 s SER 3 CO 0.07 -0.24 1.89 0.00 0.41 0.00 0.00 173.24 175.38 2ba3 h ALA 4 N 8.27 2.82 0.00 1.44 0.00 -2.03 -0.89 119.26 128.88 2ba3 h ALA 4 Ca -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2ba3 h ALA 4 Cb 1.11 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2ba3 h ALA 4 CO 0.13 -1.07 0.00 1.33 0.00 0.00 0.00 179.25 179.64 2ba3 n VAL 5 N -4.28 0.00 0.11 0.00 0.24 -1.26 -3.74 118.33 109.41 2ba3 n VAL 5 Ca 0.18 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.49 2ba3 n VAL 5 Cb 0.94 -0.55 0.06 0.00 -1.47 0.00 0.00 33.84 32.82 2ba3 n VAL 5 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2ba3 n ARG 6 N -0.73 0.02 -4.38 7.34 0.63 -0.34 -4.56 116.66 114.64 2ba3 n ARG 6 Ca 0.04 0.35 -0.20 0.00 -0.92 0.00 0.00 57.85 57.12 2ba3 n ARG 6 Cb 0.02 -1.50 -0.10 0.00 0.45 0.00 0.00 32.46 31.33 2ba3 n ARG 6 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2ba3 s LYS 7 N -2.78 1.42 -0.17 -0.14 3.01 -1.24 -5.15 119.74 114.68 2ba3 s LYS 7 Ca 0.02 -1.65 -0.04 0.00 -1.01 0.00 0.00 55.97 53.28 2ba3 s LYS 7 Cb 0.02 -1.22 0.07 0.00 -1.01 0.00 0.00 37.83 35.69 2ba3 s LYS 7 CO 0.05 0.18 0.14 -1.59 0.51 0.00 0.00 175.35 174.63 2ba3 s LYS 8 N -3.64 0.10 -0.07 1.68 -2.85 -1.26 -5.04 119.74 108.65 2ba3 s LYS 8 Ca 0.25 0.07 -0.00 0.00 -1.00 0.00 0.00 55.97 55.29 2ba3 s LYS 8 Cb -0.00 -1.48 -0.00 0.00 -2.06 0.00 0.00 37.83 34.29 2ba3 s LYS 8 CO 0.09 -0.63 -0.00 0.66 0.10 0.00 0.00 175.35 175.57 2ba3 h SER 9 N 8.38 0.00 -4.09 0.03 4.64 -2.01 -3.47 113.55 117.03 2ba3 h SER 9 Ca -0.16 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.61 2ba3 h SER 9 Cb 1.15 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 63.38 2ba3 h SER 9 CO 0.27 0.35 0.53 -0.70 -0.87 0.00 0.00 176.83 176.41 2ba3 s GLU 10 N -1.38 2.76 -0.02 4.77 2.12 -1.26 -5.06 118.70 120.63 2ba3 s GLU 10 Ca -0.00 2.05 -0.04 0.00 0.36 0.00 0.00 54.97 57.34 2ba3 s GLU 10 Cb 0.00 -1.95 0.00 0.00 0.26 0.00 0.00 34.13 32.45 2ba3 s GLU 10 CO 0.00 -1.43 0.09 0.54 -0.54 0.00 0.00 175.26 173.92 2ba3 s VAL 11 N -1.42 0.04 0.14 3.70 0.11 -1.26 -5.18 120.40 116.53 2ba3 s VAL 11 Ca 0.79 -0.32 -0.07 0.00 -2.93 0.00 0.00 61.98 59.45 2ba3 s VAL 11 Cb -0.37 -0.24 -0.01 0.00 -1.53 0.00 0.00 36.38 34.23 2ba3 s VAL 11 CO 0.40 -0.17 0.22 0.00 -3.33 0.00 0.00 175.10 172.21 2ba3 s ARG 12 N -0.54 1.03 -1.40 1.54 1.70 -1.26 -5.04 118.95 114.97 2ba3 s ARG 12 Ca -0.06 -1.16 -0.13 0.00 -0.47 0.00 0.00 55.73 53.91 2ba3 s ARG 12 Cb -0.04 0.34 0.08 0.00 -0.57 0.00 0.00 34.95 34.76 2ba3 s ARG 12 CO 0.00 -0.35 2.11 1.04 -1.08 0.00 0.00 175.30 177.02 2ba3 n GLN 13 N -0.15 3.09 -0.22 3.89 1.13 -1.26 -4.61 117.38 119.26 2ba3 n GLN 13 Ca -0.09 -2.90 -0.05 0.00 -1.94 0.00 0.00 57.00 52.02 2ba3 n GLN 13 Cb 0.63 -3.18 0.12 0.00 0.11 0.00 0.00 30.24 27.92 2ba3 n GLN 13 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 2ba3 h LYS 14 N 5.95 1.03 -7.60 -1.09 2.10 -2.05 -3.44 116.57 111.48 2ba3 h LYS 14 Ca 0.51 -0.20 -0.47 0.00 -2.00 0.00 0.00 60.65 58.49 2ba3 h LYS 14 Cb 0.64 -0.16 0.10 0.00 -0.90 0.00 0.00 32.23 31.92 2ba3 h LYS 14 CO 1.80 0.87 0.39 -0.08 -2.00 0.00 0.00 179.45 180.44 2ba3 s THR 15 N -5.38 2.04 0.20 0.07 -1.32 -1.26 -5.10 115.64 104.89 2ba3 s THR 15 Ca -0.11 0.01 0.05 0.00 -1.21 0.00 0.00 61.69 60.43 2ba3 s THR 15 Cb 0.16 -2.98 -0.03 0.00 -1.51 0.00 0.00 72.50 68.13 2ba3 s THR 15 CO 0.82 -0.02 0.28 -0.69 -2.21 0.00 0.00 174.62 172.80 2ba3 s VAL 16 N -3.53 5.04 -0.25 5.08 1.01 -1.26 -5.11 120.40 121.37 2ba3 s VAL 16 Ca 0.62 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 2ba3 s VAL 16 Cb -0.12 -3.67 0.14 0.00 0.00 0.00 0.00 36.38 32.74 2ba3 s VAL 16 CO 0.50 -0.22 0.38 0.54 0.00 0.00 0.00 175.10 176.29 2ba3 s VAL 17 N -1.89 -0.60 -0.07 2.92 0.11 -1.26 -5.16 120.40 114.45 2ba3 s VAL 17 Ca 0.34 -0.13 -0.18 0.00 -2.93 0.00 0.00 61.98 59.07 2ba3 s VAL 17 Cb -0.10 -0.85 0.04 0.00 -1.53 0.00 0.00 36.38 33.94 2ba3 s VAL 17 CO 0.27 -0.17 0.43 -0.60 -3.33 0.00 0.00 175.10 171.70 2ba3 s ARG 18 N 2.53 0.70 -0.21 1.54 3.52 -1.26 -5.12 118.95 120.65 2ba3 s ARG 18 Ca 0.12 0.17 -0.29 0.00 -0.13 0.00 0.00 55.73 55.60 2ba3 s ARG 18 Cb -0.15 0.32 -0.00 0.00 -1.56 0.00 0.00 34.95 33.56 2ba3 s ARG 18 CO -0.19 -0.17 1.19 0.95 -0.81 0.00 0.00 175.30 176.27 2ba3 s THR 19 N -0.77 4.39 -0.22 4.11 -4.23 -1.26 -5.00 115.64 112.66 2ba3 s THR 19 Ca -0.09 1.66 0.01 0.00 -1.18 0.00 0.00 61.69 62.09 2ba3 s THR 19 Cb -0.04 -4.14 0.05 0.00 1.34 0.00 0.00 72.50 69.72 2ba3 s THR 19 CO 0.04 -0.22 -0.10 -0.22 -0.54 0.00 0.00 174.62 173.58 2ba3 s LEU 20 N 3.56 2.54 0.31 4.79 2.96 -1.26 -5.13 118.68 126.45 2ba3 s LEU 20 Ca 0.51 -1.03 0.04 0.00 -0.22 0.00 0.00 54.13 53.44 2ba3 s LEU 20 Cb -0.18 -1.29 -0.02 0.00 0.50 0.00 0.00 46.19 45.20 2ba3 s LEU 20 CO 0.13 -0.16 0.46 -0.13 -1.32 0.00 0.00 176.35 175.33 2ba3 s ARG 21 N 1.34 3.30 0.01 1.98 0.52 -1.26 -5.14 118.95 119.70 2ba3 s ARG 21 Ca -0.03 -0.74 -0.06 0.00 -0.52 0.00 0.00 55.73 54.37 2ba3 s ARG 21 Cb -0.17 -2.79 -0.00 0.00 0.52 0.00 0.00 34.95 32.50 2ba3 s ARG 21 CO -0.07 0.18 0.12 -0.06 0.02 0.00 0.00 175.30 175.49 2ba3 s PHE 22 N -2.16 0.09 1.02 -0.53 0.40 -1.26 -5.13 117.98 110.41 2ba3 s PHE 22 Ca 0.40 -0.24 -0.16 0.00 -0.60 0.00 0.00 56.93 56.34 2ba3 s PHE 22 Cb -0.09 -0.08 0.21 0.00 0.51 0.00 0.00 43.02 43.57 2ba3 s PHE 22 CO 0.32 -0.30 1.20 -1.12 0.70 0.00 0.00 175.22 176.02 2ba3 s SER 23 N -1.55 2.56 0.12 1.36 0.01 -1.26 -4.76 113.70 110.18 2ba3 s SER 23 Ca -0.13 0.60 -0.15 0.00 1.31 0.00 0.00 55.95 57.58 2ba3 s SER 23 Cb -0.07 -0.87 -0.03 0.00 0.21 0.00 0.00 66.02 65.27 2ba3 s SER 23 CO 0.00 -3.11 1.55 1.55 0.41 0.00 0.00 173.24 173.64 2ba3 h PRO 24 N -1.89 0.71 -0.61 12.44 0.13 -2.02 0.37 132.00 141.13 2ba3 h PRO 24 Ca -0.46 -0.24 -0.06 0.00 -0.87 0.00 0.00 66.00 64.37 2ba3 h PRO 24 Cb 1.28 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 2ba3 h PRO 24 CO 0.44 0.82 0.16 0.28 -0.23 0.00 0.00 178.00 179.48 2ba3 h VAL 25 N 0.52 1.25 -0.18 1.56 2.07 -1.99 0.10 116.25 119.59 2ba3 h VAL 25 Ca 0.10 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 2ba3 h VAL 25 Cb 0.53 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2ba3 h VAL 25 CO 0.03 0.33 0.07 -0.33 0.02 0.00 0.00 177.57 177.69 2ba3 h GLU 26 N 0.88 0.27 -0.02 1.57 4.39 -1.89 -1.16 114.58 118.61 2ba3 h GLU 26 Ca 0.19 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.84 2ba3 h GLU 26 Cb 0.33 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2ba3 h GLU 26 CO -0.00 0.35 0.00 0.22 -1.16 0.00 0.00 179.01 178.42 2ba3 h ASP 27 N 0.13 -0.00 -0.48 1.42 3.58 -0.72 0.90 116.42 121.24 2ba3 h ASP 27 Ca 0.06 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 2ba3 h ASP 27 Cb 0.18 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 2ba3 h ASP 27 CO -0.00 0.00 0.24 -0.33 -2.88 0.00 0.00 179.24 176.26 2ba3 h GLU 28 N 0.01 0.69 0.32 0.28 5.08 -0.93 0.23 114.58 120.27 2ba3 h GLU 28 Ca 0.01 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2ba3 h GLU 28 Cb 0.01 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2ba3 h GLU 28 CO -0.02 0.58 -0.16 1.15 -1.00 0.00 0.00 179.01 179.57 2ba3 h THR 29 N 0.64 0.70 -0.68 1.13 2.02 -0.96 0.89 112.91 116.65 2ba3 h THR 29 Ca 0.17 -0.11 0.04 0.00 0.77 0.00 0.00 66.41 67.27 2ba3 h THR 29 Cb 0.11 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 2ba3 h THR 29 CO -0.02 0.02 0.41 0.40 0.37 0.00 0.00 175.52 176.70 2ba3 h ILE 30 N -0.49 1.06 -0.19 3.11 2.04 -0.64 0.51 117.51 122.91 2ba3 h ILE 30 Ca -0.04 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 2ba3 h ILE 30 Cb 0.37 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 2ba3 h ILE 30 CO 0.07 0.15 0.08 -0.09 0.00 0.00 0.00 178.15 178.35 2ba3 h ARG 31 N 0.79 0.28 -0.28 2.37 2.43 -0.31 0.12 114.38 119.79 2ba3 h ARG 31 Ca 0.28 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 2ba3 h ARG 31 Cb 0.06 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2ba3 h ARG 31 CO -0.13 0.35 0.10 0.87 -1.51 0.00 0.00 179.97 179.65 2ba3 h LYS 32 N 0.15 0.43 -0.38 0.20 6.56 -0.41 -0.74 116.57 122.39 2ba3 h LYS 32 Ca 0.06 -0.09 -0.04 0.00 -1.06 0.00 0.00 60.65 59.53 2ba3 h LYS 32 Cb 0.17 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.75 2ba3 h LYS 32 CO -0.01 0.47 0.08 0.87 -2.06 0.00 0.00 179.45 178.81 2ba3 h LYS 33 N 0.29 0.61 0.41 3.15 6.56 -0.82 -0.31 116.57 126.46 2ba3 h LYS 33 Ca 0.09 -0.15 -0.01 0.00 -1.06 0.00 0.00 60.65 59.52 2ba3 h LYS 33 Cb 0.22 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.79 2ba3 h LYS 33 CO -0.00 0.65 -0.32 0.00 -2.06 0.00 0.00 179.45 177.72 2ba3 h ALA 34 N 0.93 -0.74 -0.88 3.86 0.00 -0.68 -0.43 119.26 121.32 2ba3 h ALA 34 Ca 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ba3 h ALA 34 Cb 0.33 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2ba3 h ALA 34 CO 0.00 -0.94 0.55 1.49 0.00 0.00 0.00 179.25 180.35 2ba3 h GLU 35 N -0.73 1.19 -0.01 0.00 4.81 -1.10 -0.69 114.58 118.04 2ba3 h GLU 35 Ca -0.04 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.01 2ba3 h GLU 35 Cb 0.63 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2ba3 h GLU 35 CO -0.01 0.82 -0.41 0.22 -0.73 0.00 0.00 179.01 178.90 2ba3 h ASP 36 N 1.21 0.03 0.57 1.04 3.58 -0.89 -1.71 116.42 120.24 2ba3 h ASP 36 Ca 0.32 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.76 2ba3 h ASP 36 Cb -0.08 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 40.97 2ba3 h ASP 36 CO -0.06 0.44 -0.07 -0.24 -2.88 0.00 0.00 179.24 176.42 2ba3 n SER 37 N -4.05 0.19 -1.26 2.28 2.88 -0.18 -4.92 113.62 108.56 2ba3 n SER 37 Ca -0.02 -0.18 -0.11 0.00 -1.33 0.00 0.00 58.87 57.23 2ba3 n SER 37 Cb 0.44 -0.22 -0.01 0.00 -0.75 0.00 0.00 64.21 63.68 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 1.33 -0.00 3.41 0.46 0.00 -0.64 -5.02 105.19 104.73 2ba3 n GLY 38 Ca 0.13 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.22 2.55 0.29 0.99 1.43 -0.34 -5.02 118.68 115.36 2ba3 s LEU 39 Ca 0.00 -0.99 -0.18 0.00 -1.03 0.00 0.00 54.13 51.93 2ba3 s LEU 39 Cb 0.00 -0.94 -0.09 0.00 0.03 0.00 0.00 46.19 45.19 2ba3 s LEU 39 CO 0.00 -0.03 0.76 0.28 0.23 0.00 0.00 176.35 177.60 2ba3 s THR 40 N -2.51 4.58 0.32 5.49 -1.32 -1.26 -3.59 115.64 117.34 2ba3 s THR 40 Ca 0.25 1.18 0.09 0.00 -1.21 0.00 0.00 61.69 62.00 2ba3 s THR 40 Cb -0.04 -3.73 0.31 0.00 -1.51 0.00 0.00 72.50 67.53 2ba3 s THR 40 CO 0.11 -0.02 1.69 0.58 -2.21 0.00 0.00 174.62 174.77 2ba3 h VAL 41 N 2.30 0.42 -0.05 5.08 2.07 -1.90 0.12 116.25 124.29 2ba3 h VAL 41 Ca -0.48 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 2ba3 h VAL 41 Cb 1.18 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2ba3 h VAL 41 CO 0.65 0.08 0.03 0.28 0.02 0.00 0.00 177.57 178.63 2ba3 h SER 42 N 0.42 0.06 -0.59 0.57 0.02 -1.99 -0.22 113.55 111.82 2ba3 h SER 42 Ca 0.65 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.50 2ba3 h SER 42 Cb 1.33 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.83 2ba3 h SER 42 CO -0.55 0.08 0.15 0.00 -1.14 0.00 0.00 176.83 175.38 2ba3 h ALA 43 N 0.98 0.78 0.15 3.77 0.00 -1.42 -2.30 119.26 121.23 2ba3 h ALA 43 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2ba3 h ALA 43 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2ba3 h ALA 43 CO -0.00 0.48 -0.14 -0.92 0.00 0.00 0.00 179.25 178.66 2ba3 h TYR 44 N 0.85 -0.37 0.24 0.00 3.20 -0.66 -0.08 116.97 120.16 2ba3 h TYR 44 Ca 0.19 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2ba3 h TYR 44 Cb 0.34 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 2ba3 h TYR 44 CO 0.02 -0.22 -0.52 0.82 -1.64 0.00 0.00 178.16 176.63 2ba3 h ILE 45 N -0.32 0.01 -0.61 1.81 1.08 -0.89 -0.21 117.51 118.38 2ba3 h ILE 45 Ca 0.00 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.49 2ba3 h ILE 45 Cb 0.30 0.01 -0.04 0.00 -3.07 0.00 0.00 36.82 34.02 2ba3 h ILE 45 CO -0.03 0.00 0.38 0.08 -0.69 0.00 0.00 178.15 177.89 2ba3 h ARG 46 N -0.83 0.74 0.23 2.37 0.11 -1.35 -1.32 114.38 114.32 2ba3 h ARG 46 Ca -0.02 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.00 2ba3 h ARG 46 Cb 0.80 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.71 2ba3 h ARG 46 CO -0.22 0.49 -0.12 -0.97 0.10 0.00 0.00 179.97 179.26 2ba3 h ASN 47 N 0.76 -0.28 0.16 0.08 -1.24 -0.68 -2.15 115.58 112.24 2ba3 h ASN 47 Ca 0.24 0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.23 2ba3 h ASN 47 Cb -0.01 0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.11 2ba3 h ASN 47 CO -0.09 -0.20 -0.14 0.00 -1.29 0.00 0.00 177.43 175.72 2ba3 h ALA 48 N 0.45 1.69 0.00 1.57 0.00 -0.96 -2.25 119.26 119.76 2ba3 h ALA 48 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2ba3 h ALA 48 Cb 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2ba3 h ALA 48 CO 0.05 0.17 -0.04 0.00 0.00 0.00 0.00 179.25 179.43 2ba3 h ALA 49 N 1.86 0.97 0.00 0.00 0.00 -0.82 -3.36 119.26 117.91 2ba3 h ALA 49 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 2ba3 h ALA 49 Cb 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 2ba3 h ALA 49 CO 0.02 0.00 -2.36 1.28 0.00 0.00 0.00 179.25 178.19 2ba3 n LEU 50 N -2.35 2.63 0.00 0.00 4.77 -0.85 -5.07 117.00 116.13 2ba3 n LEU 50 Ca 0.05 -0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.14 2ba3 n LEU 50 Cb 0.44 -0.80 0.65 0.00 -2.33 0.00 0.00 43.42 41.39 2ba3 n LEU 50 CO 0.31 0.79 0.84 0.59 -1.33 0.00 0.00 177.39 178.59