#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 -3.93 -3.46 5.75 -1.26 -4.97 116.55 108.72 2ba3 n ASP 2 Ca 0.00 0.01 -0.10 0.00 -0.01 0.00 0.00 54.79 54.69 2ba3 n ASP 2 Cb 0.00 1.82 -0.12 0.00 -1.03 0.00 0.00 41.12 41.79 2ba3 n ASP 2 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2ba3 s SER 3 N -4.67 0.13 0.64 -1.12 0.15 -1.26 -5.15 113.70 102.43 2ba3 s SER 3 Ca -0.08 -0.29 -0.18 0.00 0.70 0.00 0.00 55.95 56.10 2ba3 s SER 3 Cb 0.13 0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.52 2ba3 s SER 3 CO 0.90 -0.21 1.23 0.00 1.20 0.00 0.00 173.24 176.36 2ba3 s ALA 4 N -0.98 2.41 0.24 5.45 0.00 -1.26 -4.93 121.76 122.69 2ba3 s ALA 4 Ca -0.11 1.04 0.21 0.00 0.00 0.00 0.00 51.96 53.11 2ba3 s ALA 4 Cb -0.07 -3.49 0.91 0.00 0.00 0.00 0.00 23.12 20.48 2ba3 s ALA 4 CO -0.00 -1.45 1.84 -0.24 0.00 0.00 0.00 175.76 175.91 2ba3 h VAL 5 N 0.53 0.78 -3.28 0.00 3.04 -2.02 -3.41 116.25 111.88 2ba3 h VAL 5 Ca -0.50 -1.18 -0.65 0.00 -1.01 0.00 0.00 66.70 63.36 2ba3 h VAL 5 Cb 1.31 1.73 -0.17 0.00 -2.01 0.00 0.00 31.29 32.15 2ba3 h VAL 5 CO 0.53 0.28 -0.61 -0.13 -1.01 0.00 0.00 177.57 176.63 2ba3 s ARG 6 N -3.81 3.53 0.06 4.17 0.52 -1.26 -4.93 118.95 117.23 2ba3 s ARG 6 Ca -0.01 -0.41 0.00 0.00 -0.52 0.00 0.00 55.73 54.79 2ba3 s ARG 6 Cb 0.12 -2.98 0.00 0.00 0.52 0.00 0.00 34.95 32.61 2ba3 s ARG 6 CO 0.66 0.43 0.00 0.36 0.02 0.00 0.00 175.30 176.77 2ba3 n LYS 7 N 3.00 0.00 -2.14 3.54 2.85 -1.26 -5.04 118.16 119.10 2ba3 n LYS 7 Ca -0.18 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.69 2ba3 n LYS 7 Cb 0.53 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.88 2ba3 n LYS 7 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2ba3 s LYS 8 N -2.00 2.82 -0.23 -1.58 -0.14 -1.26 -4.91 119.74 112.44 2ba3 s LYS 8 Ca 0.00 0.54 -0.27 0.00 -1.36 0.00 0.00 55.97 54.88 2ba3 s LYS 8 Cb 0.00 -4.32 0.11 0.00 -1.68 0.00 0.00 37.83 31.94 2ba3 s LYS 8 CO 0.00 -2.51 0.95 -1.12 -0.76 0.00 0.00 175.35 171.91 2ba3 s SER 9 N 7.00 -0.49 0.00 2.83 0.01 -1.26 -5.18 113.70 116.61 2ba3 s SER 9 Ca 0.62 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.72 2ba3 s SER 9 Cb -0.13 0.81 0.00 0.00 0.21 0.00 0.00 66.02 66.92 2ba3 s SER 9 CO 0.21 -0.25 0.00 -1.84 0.41 0.00 0.00 173.24 171.78 2ba3 n GLU 10 N 1.85 0.00 0.00 12.44 -0.00 -1.26 -5.09 120.64 128.58 2ba3 n GLU 10 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.03 2ba3 n GLU 10 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.00 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 -0.09 0.00 -3.70 3.84 3.14 -1.26 -5.04 118.33 115.22 2ba3 n VAL 11 Ca 0.00 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.26 2ba3 n VAL 11 Cb 0.00 0.11 -0.12 0.00 -1.06 0.00 0.00 33.84 32.76 2ba3 n VAL 11 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2ba3 s ARG 12 N -1.24 0.25 -0.55 1.45 0.52 -1.26 -5.09 118.95 113.03 2ba3 s ARG 12 Ca 0.00 0.69 -0.26 0.00 -0.52 0.00 0.00 55.73 55.64 2ba3 s ARG 12 Cb 0.00 -0.04 -0.08 0.00 0.52 0.00 0.00 34.95 35.35 2ba3 s ARG 12 CO 0.00 -0.20 2.42 1.04 0.02 0.00 0.00 175.30 178.59 2ba3 n GLN 13 N 4.60 0.94 0.09 3.54 6.02 -1.26 -4.80 117.38 126.52 2ba3 n GLN 13 Ca -0.19 -0.14 -0.14 0.00 -0.01 0.00 0.00 57.00 56.53 2ba3 n GLN 13 Cb 0.52 -3.45 -0.08 0.00 1.02 0.00 0.00 30.24 28.25 2ba3 n GLN 13 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 2ba3 h LYS 14 N 18.48 0.31 -7.26 -1.09 2.10 -2.03 -3.46 116.57 123.63 2ba3 h LYS 14 Ca -0.20 -0.42 -0.48 0.00 -2.00 0.00 0.00 60.65 57.55 2ba3 h LYS 14 Cb 1.23 0.14 0.18 0.00 -0.90 0.00 0.00 32.23 32.88 2ba3 h LYS 14 CO 1.14 1.13 0.17 -0.08 -2.00 0.00 0.00 179.45 179.82 2ba3 s THR 15 N -2.98 2.32 -0.30 0.07 -1.32 -1.26 -5.03 115.64 107.13 2ba3 s THR 15 Ca -0.04 0.10 0.01 0.00 -1.21 0.00 0.00 61.69 60.55 2ba3 s THR 15 Cb 0.08 -2.31 0.09 0.00 -1.51 0.00 0.00 72.50 68.85 2ba3 s THR 15 CO 0.87 -0.13 0.04 -0.69 -2.21 0.00 0.00 174.62 172.49 2ba3 s VAL 16 N -2.70 1.60 -0.21 5.08 1.01 -1.26 -5.10 120.40 118.81 2ba3 s VAL 16 Ca 0.66 -1.72 -0.09 0.00 0.00 0.00 0.00 61.98 60.83 2ba3 s VAL 16 Cb -0.22 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 2ba3 s VAL 16 CO 0.59 -0.49 0.12 0.54 0.00 0.00 0.00 175.10 175.87 2ba3 s VAL 17 N 1.28 5.18 0.14 2.92 0.11 -1.26 -5.09 120.40 123.68 2ba3 s VAL 17 Ca 0.06 0.11 -0.17 0.00 -2.93 0.00 0.00 61.98 59.05 2ba3 s VAL 17 Cb -0.18 -3.38 0.04 0.00 -1.53 0.00 0.00 36.38 31.32 2ba3 s VAL 17 CO -0.13 0.40 0.44 -0.60 -3.33 0.00 0.00 175.10 171.88 2ba3 s ARG 18 N 0.70 1.15 -0.87 1.54 3.52 -1.26 -5.10 118.95 118.63 2ba3 s ARG 18 Ca 0.06 -0.72 -0.19 0.00 -0.13 0.00 0.00 55.73 54.76 2ba3 s ARG 18 Cb -0.13 0.49 0.13 0.00 -1.56 0.00 0.00 34.95 33.89 2ba3 s ARG 18 CO 0.01 -0.46 1.05 0.99 -0.81 0.00 0.00 175.30 176.08 2ba3 s THR 19 N -3.81 4.78 -0.55 4.11 2.01 -1.26 -4.98 115.64 115.94 2ba3 s THR 19 Ca 0.04 -1.51 -0.17 0.00 0.31 0.00 0.00 61.69 60.36 2ba3 s THR 19 Cb 0.01 -4.72 0.11 0.00 0.01 0.00 0.00 72.50 67.91 2ba3 s THR 19 CO -0.10 -1.43 0.57 -0.22 -0.69 0.00 0.00 174.62 172.75 2ba3 s LEU 20 N 2.56 5.79 0.46 4.42 1.98 -1.26 -5.06 118.68 127.57 2ba3 s LEU 20 Ca 0.29 -1.58 -0.06 0.00 -2.89 0.00 0.00 54.13 49.89 2ba3 s LEU 20 Cb -0.08 -2.25 -0.04 0.00 0.66 0.00 0.00 46.19 44.48 2ba3 s LEU 20 CO -0.07 -0.93 0.77 -0.13 -1.89 0.00 0.00 176.35 174.10 2ba3 s ARG 21 N 2.04 3.58 0.05 1.98 0.52 -1.26 -5.11 118.95 120.75 2ba3 s ARG 21 Ca 0.07 0.21 0.02 0.00 -0.52 0.00 0.00 55.73 55.51 2ba3 s ARG 21 Cb -0.27 -2.40 -0.03 0.00 0.52 0.00 0.00 34.95 32.78 2ba3 s ARG 21 CO 0.05 -0.15 -0.07 -0.06 0.02 0.00 0.00 175.30 175.09 2ba3 s PHE 22 N -2.65 0.65 0.79 -0.53 0.08 -1.26 -5.13 117.98 109.94 2ba3 s PHE 22 Ca 0.48 -0.59 -0.10 0.00 0.12 0.00 0.00 56.93 56.83 2ba3 s PHE 22 Cb -0.10 -0.40 0.10 0.00 -0.57 0.00 0.00 43.02 42.05 2ba3 s PHE 22 CO 0.42 -0.12 1.13 -1.12 -0.10 0.00 0.00 175.22 175.43 2ba3 s SER 23 N -1.86 4.38 0.23 1.36 0.01 -1.26 -4.83 113.70 111.72 2ba3 s SER 23 Ca -0.06 0.49 -0.03 0.00 1.31 0.00 0.00 55.95 57.65 2ba3 s SER 23 Cb -0.07 -0.96 0.23 0.00 0.21 0.00 0.00 66.02 65.42 2ba3 s SER 23 CO -0.01 -1.92 1.66 1.55 0.41 0.00 0.00 173.24 174.93 2ba3 h PRO 24 N -0.94 0.76 0.21 12.44 0.13 -2.02 0.48 132.00 143.06 2ba3 h PRO 24 Ca -0.45 -0.28 -0.01 0.00 -0.87 0.00 0.00 66.00 64.39 2ba3 h PRO 24 Cb 1.30 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2ba3 h PRO 24 CO 0.57 0.89 -0.10 0.28 -0.23 0.00 0.00 178.00 179.41 2ba3 h VAL 25 N 0.67 0.88 -0.36 1.56 2.07 -1.99 -0.99 116.25 118.09 2ba3 h VAL 25 Ca 0.10 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 67.02 2ba3 h VAL 25 Cb 0.67 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 2ba3 h VAL 25 CO 0.05 0.14 0.16 -0.33 0.02 0.00 0.00 177.57 177.61 2ba3 h GLU 26 N -0.61 0.33 0.20 1.57 3.07 -1.93 -1.61 114.58 115.59 2ba3 h GLU 26 Ca -0.03 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 2ba3 h GLU 26 Cb 0.44 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 2ba3 h GLU 26 CO 0.05 0.22 -0.12 0.22 -1.40 0.00 0.00 179.01 177.98 2ba3 h ASP 27 N 0.34 -0.28 -0.92 1.42 3.58 -0.90 -0.08 116.42 119.57 2ba3 h ASP 27 Ca 0.15 0.02 0.09 0.00 0.42 0.00 0.00 57.03 57.71 2ba3 h ASP 27 Cb 0.08 0.08 -0.07 0.00 1.72 0.00 0.00 39.33 41.15 2ba3 h ASP 27 CO -0.12 -0.19 0.59 -0.08 -2.88 0.00 0.00 179.24 176.56 2ba3 h GLU 28 N -0.30 0.92 0.43 0.28 4.81 -0.94 0.35 114.58 120.12 2ba3 h GLU 28 Ca -0.02 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 2ba3 h GLU 28 Cb 0.25 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2ba3 h GLU 28 CO 0.03 0.61 -0.21 1.15 -0.73 0.00 0.00 179.01 179.86 2ba3 h THR 29 N 0.94 0.45 -0.89 0.32 2.02 -0.94 -1.25 112.91 113.57 2ba3 h THR 29 Ca 0.42 -0.52 0.01 0.00 0.77 0.00 0.00 66.41 67.09 2ba3 h THR 29 Cb 0.37 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 2ba3 h THR 29 CO -0.18 0.08 0.58 0.40 0.37 0.00 0.00 175.52 176.76 2ba3 h ILE 30 N -0.93 1.23 0.16 3.11 2.04 -0.63 0.10 117.51 122.59 2ba3 h ILE 30 Ca -0.06 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 2ba3 h ILE 30 Cb 0.56 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2ba3 h ILE 30 CO 0.10 0.23 -0.08 -0.09 0.00 0.00 0.00 178.15 178.31 2ba3 h ARG 31 N 1.21 -0.21 -0.13 2.37 2.43 -0.32 0.16 114.38 119.90 2ba3 h ARG 31 Ca 0.32 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.52 2ba3 h ARG 31 Cb -0.12 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2ba3 h ARG 31 CO -0.07 -0.06 0.06 0.87 -1.51 0.00 0.00 179.97 179.26 2ba3 h LYS 32 N -0.31 0.13 -0.41 0.20 6.56 -0.80 -0.52 116.57 121.42 2ba3 h LYS 32 Ca -0.02 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.56 2ba3 h LYS 32 Cb 0.24 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.85 2ba3 h LYS 32 CO 0.04 0.09 0.25 0.87 -2.06 0.00 0.00 179.45 178.63 2ba3 h LYS 33 N 0.14 0.56 0.31 3.15 1.79 -0.87 0.02 116.57 121.67 2ba3 h LYS 33 Ca 0.05 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 2ba3 h LYS 33 Cb 0.01 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 2ba3 h LYS 33 CO -0.04 0.41 -0.15 0.00 -1.08 0.00 0.00 179.45 178.60 2ba3 h ALA 34 N 1.11 -0.42 -0.65 3.86 0.00 -0.48 -0.16 119.26 122.53 2ba3 h ALA 34 Ca 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2ba3 h ALA 34 Cb 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2ba3 h ALA 34 CO -0.03 -0.65 0.36 1.49 0.00 0.00 0.00 179.25 180.42 2ba3 h GLU 35 N -0.59 0.88 -0.06 0.00 4.81 -1.04 -1.37 114.58 117.21 2ba3 h GLU 35 Ca -0.04 -0.09 -0.17 0.00 -0.13 0.00 0.00 59.36 58.93 2ba3 h GLU 35 Cb 0.43 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2ba3 h GLU 35 CO 0.07 0.64 -0.71 0.22 -0.73 0.00 0.00 179.01 178.50 2ba3 h ASP 36 N 0.89 0.36 0.87 1.04 3.58 -0.94 -2.44 116.42 119.78 2ba3 h ASP 36 Ca 0.23 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2ba3 h ASP 36 Cb 0.01 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 40.95 2ba3 h ASP 36 CO -0.04 0.96 0.00 -0.24 -2.88 0.00 0.00 179.24 177.04 2ba3 n SER 37 N -3.82 0.56 0.00 2.28 2.88 -0.08 -4.88 113.62 110.56 2ba3 n SER 37 Ca -0.03 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 2ba3 n SER 37 Cb 0.69 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 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 0.37 2.54 3.95 0.46 0.00 -0.58 -5.01 105.19 106.91 2ba3 n GLY 38 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 0.25 0.99 1.43 -0.84 -4.95 118.68 118.43 2ba3 s LEU 39 Ca 0.00 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 2ba3 s LEU 39 Cb 0.00 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 2ba3 s LEU 39 CO 0.00 -1.85 0.44 0.28 0.23 0.00 0.00 176.35 175.45 2ba3 s THR 40 N -3.32 5.18 0.29 5.49 -1.32 -1.26 -3.65 115.64 117.05 2ba3 s THR 40 Ca 0.64 -0.49 0.04 0.00 -1.21 0.00 0.00 61.69 60.67 2ba3 s THR 40 Cb -0.08 -3.79 0.28 0.00 -1.51 0.00 0.00 72.50 67.40 2ba3 s THR 40 CO 0.46 -0.32 1.76 0.58 -2.21 0.00 0.00 174.62 174.89 2ba3 h VAL 41 N 1.24 0.68 -0.47 5.08 2.07 -1.89 0.24 116.25 123.21 2ba3 h VAL 41 Ca -0.49 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 2ba3 h VAL 41 Cb 1.21 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2ba3 h VAL 41 CO 0.65 0.13 0.28 0.77 0.02 0.00 0.00 177.57 179.41 2ba3 h SER 42 N 0.69 0.57 -0.09 0.57 4.64 -1.98 0.22 113.55 118.15 2ba3 h SER 42 Ca 0.55 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.79 2ba3 h SER 42 Cb 0.87 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2ba3 h SER 42 CO -0.40 0.46 -0.01 0.00 -0.87 0.00 0.00 176.83 176.02 2ba3 h ALA 43 N 1.13 0.13 -0.41 5.18 0.00 -1.63 -2.64 119.26 121.02 2ba3 h ALA 43 Ca 0.17 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2ba3 h ALA 43 Cb 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2ba3 h ALA 43 CO -0.03 -0.17 0.15 -0.92 0.00 0.00 0.00 179.25 178.28 2ba3 h TYR 44 N -0.12 0.28 0.26 0.00 3.20 -0.86 -0.13 116.97 119.60 2ba3 h TYR 44 Ca 0.03 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2ba3 h TYR 44 Cb 0.38 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 2ba3 h TYR 44 CO 0.04 0.11 -0.29 0.82 -1.64 0.00 0.00 178.16 177.21 2ba3 h ILE 45 N 0.32 0.00 -0.60 1.81 1.08 -0.92 0.60 117.51 119.81 2ba3 h ILE 45 Ca 0.19 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.72 2ba3 h ILE 45 Cb 0.17 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 33.86 2ba3 h ILE 45 CO -0.19 0.00 0.29 0.08 -0.69 0.00 0.00 178.15 177.65 2ba3 h ARG 46 N -0.55 0.53 0.45 2.37 0.11 -1.39 -0.75 114.38 115.14 2ba3 h ARG 46 Ca -0.03 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 60.00 2ba3 h ARG 46 Cb 0.49 -0.12 -0.00 0.00 1.11 0.00 0.00 29.97 31.45 2ba3 h ARG 46 CO -0.05 0.35 -0.25 -0.97 0.10 0.00 0.00 179.97 179.15 2ba3 h ASN 47 N 0.54 -0.60 0.09 0.08 -1.24 -0.84 -2.40 115.58 111.21 2ba3 h ASN 47 Ca 0.28 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.30 2ba3 h ASN 47 Cb 0.23 0.17 -0.00 0.00 0.73 0.00 0.00 38.32 39.44 2ba3 h ASN 47 CO -0.21 -0.40 -0.09 0.00 -1.29 0.00 0.00 177.43 175.44 2ba3 h ALA 48 N -0.11 1.84 0.00 1.57 0.00 -0.72 -1.72 119.26 120.12 2ba3 h ALA 48 Ca -0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2ba3 h ALA 48 Cb 0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2ba3 h ALA 48 CO 0.07 0.11 -0.23 0.00 0.00 0.00 0.00 179.25 179.21 2ba3 h ALA 49 N 1.91 0.93 0.00 0.00 0.00 -0.82 -3.34 119.26 117.94 2ba3 h ALA 49 Ca -0.00 -0.21 -0.39 0.00 0.00 0.00 0.00 54.91 54.31 2ba3 h ALA 49 Cb 0.16 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 2ba3 h ALA 49 CO 0.01 0.29 -2.47 1.28 0.00 0.00 0.00 179.25 178.36 2ba3 n LEU 50 N -3.26 2.71 0.00 0.00 4.77 -0.89 -5.08 117.00 115.25 2ba3 n LEU 50 Ca 0.01 -0.12 0.09 0.00 -0.03 0.00 0.00 56.01 55.96 2ba3 n LEU 50 Cb 0.51 -0.78 0.56 0.00 -2.33 0.00 0.00 43.42 41.37 2ba3 n LEU 50 CO 0.35 0.90 0.76 0.59 -1.33 0.00 0.00 177.39 178.65