#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 0.00 -3.17 6.43 9.92 -1.26 -4.78 116.55 123.69 2ba3 n ASP 2 Ca 0.00 0.00 -0.17 0.00 -0.53 0.00 0.00 54.79 54.09 2ba3 n ASP 2 Cb 0.00 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 2ba3 n ASP 2 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2ba3 n SER 3 N 0.27 2.61 0.29 -2.24 3.41 -1.26 -4.76 113.62 111.95 2ba3 n SER 3 Ca 0.00 -2.24 0.16 0.00 -0.26 0.00 0.00 58.87 56.53 2ba3 n SER 3 Cb 0.00 -0.84 0.85 0.00 -0.26 0.00 0.00 64.21 63.96 2ba3 n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ba3 h ALA 4 N 7.32 1.18 -0.93 7.33 0.00 -2.01 -3.18 119.26 128.97 2ba3 h ALA 4 Ca 0.29 0.00 0.24 0.00 0.00 0.00 0.00 54.91 55.44 2ba3 h ALA 4 Cb 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2ba3 h ALA 4 CO 1.36 -0.18 0.64 -0.24 0.00 0.00 0.00 179.25 180.83 2ba3 h VAL 5 N 0.00 0.59 -3.46 0.00 3.04 -2.00 -3.40 116.25 111.02 2ba3 h VAL 5 Ca 0.00 -0.07 -0.33 0.00 -1.01 0.00 0.00 66.70 65.29 2ba3 h VAL 5 Cb 0.38 0.37 -0.35 0.00 -2.01 0.00 0.00 31.29 29.67 2ba3 h VAL 5 CO 0.00 0.04 -0.74 -0.60 -1.01 0.00 0.00 177.57 175.26 2ba3 s ARG 6 N -5.21 0.01 -0.00 4.17 3.52 -1.20 -5.08 118.95 115.16 2ba3 s ARG 6 Ca -0.07 0.22 -0.06 0.00 -0.13 0.00 0.00 55.73 55.69 2ba3 s ARG 6 Cb 0.22 -0.37 -0.03 0.00 -1.56 0.00 0.00 34.95 33.21 2ba3 s ARG 6 CO 0.78 -0.21 0.64 0.87 -0.81 0.00 0.00 175.30 176.58 2ba3 h LYS 7 N 7.61 -0.22 -4.83 5.12 1.57 -1.87 -3.49 116.57 120.46 2ba3 h LYS 7 Ca -0.36 0.01 -0.46 0.00 -1.87 0.00 0.00 60.65 57.97 2ba3 h LYS 7 Cb 1.12 0.05 -0.12 0.00 0.08 0.00 0.00 32.23 33.36 2ba3 h LYS 7 CO 0.39 -0.14 -0.45 0.15 -0.57 0.00 0.00 179.45 178.83 2ba3 s LYS 8 N -2.67 1.81 -0.09 3.15 1.02 -1.26 -5.14 119.74 116.57 2ba3 s LYS 8 Ca -0.03 -2.02 -0.03 0.00 0.02 0.00 0.00 55.97 53.91 2ba3 s LYS 8 Cb 0.00 0.34 0.05 0.00 -0.52 0.00 0.00 37.83 37.70 2ba3 s LYS 8 CO 0.10 -0.68 0.11 0.45 -0.92 0.00 0.00 175.35 174.40 2ba3 s SER 9 N -3.37 1.24 0.00 2.83 0.15 -1.26 -5.03 113.70 108.26 2ba3 s SER 9 Ca 0.40 0.02 0.03 0.00 0.70 0.00 0.00 55.95 57.10 2ba3 s SER 9 Cb 0.02 0.02 0.03 0.00 -1.71 0.00 0.00 66.02 64.38 2ba3 s SER 9 CO 0.28 -0.27 0.67 -1.84 1.20 0.00 0.00 173.24 173.28 2ba3 n GLU 10 N 5.31 0.02 -1.93 5.44 0.28 -1.26 -5.05 120.64 123.45 2ba3 n GLU 10 Ca -0.04 -0.84 -0.41 0.00 -0.16 0.00 0.00 57.16 55.71 2ba3 n GLU 10 Cb 0.50 -1.06 -0.02 0.00 1.43 0.00 0.00 31.44 32.29 2ba3 n GLU 10 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2ba3 s VAL 11 N -0.37 2.43 -0.05 3.84 -7.23 -1.26 -4.95 120.40 112.82 2ba3 s VAL 11 Ca 0.04 0.38 0.06 0.00 -1.81 0.00 0.00 61.98 60.65 2ba3 s VAL 11 Cb 0.02 -3.24 -0.24 0.00 0.56 0.00 0.00 36.38 33.48 2ba3 s VAL 11 CO 0.04 0.07 0.65 0.03 -0.31 0.00 0.00 175.10 175.57 2ba3 h ARG 12 N 4.62 0.09 -6.14 4.82 2.47 -2.00 -3.43 114.38 114.79 2ba3 h ARG 12 Ca -0.47 -0.15 -0.51 0.00 -1.26 0.00 0.00 59.98 57.59 2ba3 h ARG 12 Cb 1.22 0.06 -0.07 0.00 -1.65 0.00 0.00 29.97 29.53 2ba3 h ARG 12 CO 0.76 0.75 1.19 -0.65 0.56 0.00 0.00 179.97 182.57 2ba3 s GLN 13 N -2.60 3.07 0.33 0.04 -0.21 -1.26 -4.83 119.66 114.20 2ba3 s GLN 13 Ca -0.09 -0.23 0.06 0.00 0.02 0.00 0.00 55.36 55.13 2ba3 s GLN 13 Cb 0.08 -4.58 0.57 0.00 1.00 0.00 0.00 33.01 30.08 2ba3 s GLN 13 CO 0.82 -2.44 1.80 1.57 -2.12 0.00 0.00 175.29 174.91 2ba3 h LYS 14 N 11.30 0.34 -7.55 2.91 2.10 -2.03 -3.43 116.57 120.21 2ba3 h LYS 14 Ca -0.13 -0.11 -0.48 0.00 -2.00 0.00 0.00 60.65 57.93 2ba3 h LYS 14 Cb 1.06 -0.03 0.10 0.00 -0.90 0.00 0.00 32.23 32.46 2ba3 h LYS 14 CO 1.29 0.55 0.39 -0.08 -2.00 0.00 0.00 179.45 179.60 2ba3 s THR 15 N -4.53 2.50 0.02 0.07 -1.32 -1.26 -5.08 115.64 106.04 2ba3 s THR 15 Ca -0.06 0.16 -0.06 0.00 -1.21 0.00 0.00 61.69 60.53 2ba3 s THR 15 Cb 0.14 -3.11 -0.05 0.00 -1.51 0.00 0.00 72.50 67.98 2ba3 s THR 15 CO 0.76 -0.21 0.26 -0.69 -2.21 0.00 0.00 174.62 172.53 2ba3 s VAL 16 N -3.45 5.32 -0.29 5.08 1.01 -1.26 -5.08 120.40 121.72 2ba3 s VAL 16 Ca 0.61 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.67 2ba3 s VAL 16 Cb -0.12 -3.57 0.13 0.00 0.00 0.00 0.00 36.38 32.82 2ba3 s VAL 16 CO 0.51 0.33 0.26 0.54 0.00 0.00 0.00 175.10 176.74 2ba3 s VAL 17 N -1.33 -0.33 0.05 2.92 0.11 -1.26 -5.13 120.40 115.43 2ba3 s VAL 17 Ca 0.29 -0.55 -0.05 0.00 -2.93 0.00 0.00 61.98 58.74 2ba3 s VAL 17 Cb -0.13 -0.98 -0.02 0.00 -1.53 0.00 0.00 36.38 33.72 2ba3 s VAL 17 CO 0.17 -0.53 0.07 -0.13 -3.33 0.00 0.00 175.10 171.36 2ba3 s ARG 18 N 2.30 0.64 -0.66 1.54 0.52 -1.26 -5.10 118.95 116.93 2ba3 s ARG 18 Ca 0.09 -0.94 -0.24 0.00 -0.52 0.00 0.00 55.73 54.13 2ba3 s ARG 18 Cb -0.14 0.24 0.06 0.00 0.52 0.00 0.00 34.95 35.63 2ba3 s ARG 18 CO -0.34 -0.16 1.02 0.99 0.02 0.00 0.00 175.30 176.84 2ba3 s THR 19 N -3.25 4.22 -0.97 0.02 2.01 -1.26 -4.95 115.64 111.46 2ba3 s THR 19 Ca 0.01 -0.16 -0.14 0.00 0.31 0.00 0.00 61.69 61.70 2ba3 s THR 19 Cb 0.03 -4.72 0.20 0.00 0.01 0.00 0.00 72.50 68.02 2ba3 s THR 19 CO -0.08 -1.50 1.04 -0.22 -0.69 0.00 0.00 174.62 173.17 2ba3 s LEU 20 N 4.37 5.93 0.71 4.42 1.98 -1.26 -5.04 118.68 129.79 2ba3 s LEU 20 Ca 0.25 -2.72 -0.11 0.00 -2.89 0.00 0.00 54.13 48.66 2ba3 s LEU 20 Cb -0.15 -2.29 0.02 0.00 0.66 0.00 0.00 46.19 44.42 2ba3 s LEU 20 CO 0.12 -0.69 1.07 -0.13 -1.89 0.00 0.00 176.35 174.84 2ba3 s ARG 21 N 0.83 2.82 0.22 1.98 0.52 -1.26 -5.10 118.95 118.96 2ba3 s ARG 21 Ca 0.28 0.69 0.00 0.00 -0.52 0.00 0.00 55.73 56.19 2ba3 s ARG 21 Cb -0.07 -2.00 -0.04 0.00 0.52 0.00 0.00 34.95 33.36 2ba3 s ARG 21 CO -0.08 -1.12 0.15 -0.06 0.02 0.00 0.00 175.30 174.21 2ba3 s PHE 22 N -3.19 1.24 0.46 -0.53 0.40 -1.26 -5.14 117.98 109.97 2ba3 s PHE 22 Ca 0.58 -1.41 0.07 0.00 -0.60 0.00 0.00 56.93 55.58 2ba3 s PHE 22 Cb -0.13 -0.59 0.00 0.00 0.51 0.00 0.00 43.02 42.82 2ba3 s PHE 22 CO 0.54 -0.66 0.44 -1.12 0.70 0.00 0.00 175.22 175.12 2ba3 s SER 23 N -3.19 5.02 0.24 1.36 0.01 -1.26 -4.94 113.70 110.93 2ba3 s SER 23 Ca 0.39 -0.83 0.02 0.00 1.31 0.00 0.00 55.95 56.84 2ba3 s SER 23 Cb 0.06 -0.29 0.26 0.00 0.21 0.00 0.00 66.02 66.26 2ba3 s SER 23 CO 0.14 -0.82 1.59 1.55 0.41 0.00 0.00 173.24 176.10 2ba3 h PRO 24 N 0.86 0.36 0.06 12.44 0.13 -2.03 -0.35 132.00 143.47 2ba3 h PRO 24 Ca -0.39 -0.21 -0.25 0.00 -0.87 0.00 0.00 66.00 64.27 2ba3 h PRO 24 Cb 1.28 0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.43 2ba3 h PRO 24 CO 0.55 0.79 -1.08 0.28 -0.23 0.00 0.00 178.00 178.31 2ba3 h VAL 25 N 0.29 1.41 0.39 1.56 2.07 -1.98 -1.48 116.25 118.50 2ba3 h VAL 25 Ca 0.01 -2.61 -0.02 0.00 0.82 0.00 0.00 66.70 64.90 2ba3 h VAL 25 Cb 1.00 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.38 2ba3 h VAL 25 CO 0.09 0.78 -0.19 -0.33 0.02 0.00 0.00 177.57 177.94 2ba3 h GLU 26 N 0.20 -0.51 -0.44 1.57 5.08 -1.93 -1.95 114.58 116.60 2ba3 h GLU 26 Ca -0.11 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2ba3 h GLU 26 Cb 1.74 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 31.07 2ba3 h GLU 26 CO 0.19 -0.30 0.20 0.22 -1.00 0.00 0.00 179.01 178.32 2ba3 h ASP 27 N -0.59 0.28 0.05 1.42 3.58 -1.13 -1.46 116.42 118.58 2ba3 h ASP 27 Ca -0.05 0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.43 2ba3 h ASP 27 Cb 0.44 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 2ba3 h ASP 27 CO 0.09 0.20 -0.09 -0.08 -2.88 0.00 0.00 179.24 176.49 2ba3 h GLU 28 N 0.41 -0.17 0.09 0.28 4.81 -1.15 0.23 114.58 119.08 2ba3 h GLU 28 Ca 0.19 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 2ba3 h GLU 28 Cb 0.12 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2ba3 h GLU 28 CO -0.15 -0.11 -0.15 1.15 -0.73 0.00 0.00 179.01 179.02 2ba3 h THR 29 N -0.17 0.65 -0.37 0.32 2.02 -1.11 -0.16 112.91 114.09 2ba3 h THR 29 Ca 0.02 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.24 2ba3 h THR 29 Cb 0.19 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 2ba3 h THR 29 CO -0.05 0.00 0.13 0.40 0.37 0.00 0.00 175.52 176.37 2ba3 h ILE 30 N -0.30 0.90 -0.46 3.11 2.04 -1.12 -1.90 117.51 119.78 2ba3 h ILE 30 Ca 0.02 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2ba3 h ILE 30 Cb 0.31 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 2ba3 h ILE 30 CO -0.08 0.05 0.25 -0.09 0.00 0.00 0.00 178.15 178.27 2ba3 h ARG 31 N 0.29 0.65 0.08 2.37 2.43 -0.27 0.14 114.38 120.06 2ba3 h ARG 31 Ca 0.17 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2ba3 h ARG 31 Cb 0.14 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2ba3 h ARG 31 CO -0.17 0.52 -0.07 0.87 -1.51 0.00 0.00 179.97 179.62 2ba3 h LYS 32 N 0.61 -0.15 -0.23 0.20 6.56 -0.69 -0.04 116.57 122.83 2ba3 h LYS 32 Ca 0.16 0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.75 2ba3 h LYS 32 Cb 0.07 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.75 2ba3 h LYS 32 CO -0.02 -0.10 0.10 0.87 -2.06 0.00 0.00 179.45 178.23 2ba3 h LYS 33 N -0.16 0.34 0.26 3.15 6.56 -1.22 -1.24 116.57 124.26 2ba3 h LYS 33 Ca 0.00 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 2ba3 h LYS 33 Cb 0.15 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.73 2ba3 h LYS 33 CO -0.02 0.38 -0.30 0.00 -2.06 0.00 0.00 179.45 177.45 2ba3 h ALA 34 N 0.95 -0.61 -0.86 3.86 0.00 -0.57 0.67 119.26 122.70 2ba3 h ALA 34 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ba3 h ALA 34 Cb 0.15 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2ba3 h ALA 34 CO -0.01 -0.88 0.55 1.49 0.00 0.00 0.00 179.25 180.41 2ba3 h GLU 35 N -0.61 1.14 0.00 0.00 4.81 -0.96 -1.12 114.58 117.85 2ba3 h GLU 35 Ca -0.00 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 2ba3 h GLU 35 Cb 0.57 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2ba3 h GLU 35 CO -0.09 0.77 -0.30 0.22 -0.73 0.00 0.00 179.01 178.88 2ba3 h ASP 36 N 1.17 0.00 0.67 1.04 3.58 -0.92 -2.26 116.42 119.69 2ba3 h ASP 36 Ca 0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.76 2ba3 h ASP 36 Cb -0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.94 2ba3 h ASP 36 CO -0.06 0.30 -0.14 -0.24 -2.88 0.00 0.00 179.24 176.21 2ba3 n SER 37 N -3.45 0.24 0.00 2.28 2.88 0.20 -4.93 113.62 110.84 2ba3 n SER 37 Ca 0.00 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2ba3 n SER 37 Cb 0.47 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 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 1.42 0.51 3.52 0.46 0.00 -0.77 -5.02 105.19 105.30 2ba3 n GLY 38 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 2.78 0.52 0.99 1.43 -0.70 -5.00 118.68 118.71 2ba3 s LEU 39 Ca 0.00 -0.71 -0.19 0.00 -1.03 0.00 0.00 54.13 52.21 2ba3 s LEU 39 Cb 0.00 -1.46 -0.07 0.00 0.03 0.00 0.00 46.19 44.69 2ba3 s LEU 39 CO 0.00 0.10 1.04 0.28 0.23 0.00 0.00 176.35 178.00 2ba3 s THR 40 N -1.78 3.83 0.51 5.49 -1.32 -1.26 -3.48 115.64 117.63 2ba3 s THR 40 Ca 0.24 1.04 0.28 0.00 -1.21 0.00 0.00 61.69 62.05 2ba3 s THR 40 Cb -0.08 -3.44 0.46 0.00 -1.51 0.00 0.00 72.50 67.92 2ba3 s THR 40 CO 0.14 -0.34 1.88 -0.37 -2.21 0.00 0.00 174.62 173.72 2ba3 h VAL 41 N 1.20 0.58 0.87 5.08 -1.51 -1.90 -0.10 116.25 120.47 2ba3 h VAL 41 Ca -0.49 -0.03 -0.04 0.00 -1.23 0.00 0.00 66.70 64.91 2ba3 h VAL 41 Cb 1.22 0.47 0.01 0.00 -2.13 0.00 0.00 31.29 30.86 2ba3 h VAL 41 CO 0.59 0.02 -0.42 -1.28 -1.23 0.00 0.00 177.57 175.25 2ba3 h SER 42 N 0.10 -0.99 -0.97 4.19 0.87 -1.99 0.14 113.55 114.91 2ba3 h SER 42 Ca 0.44 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 61.06 2ba3 h SER 42 Cb 1.58 0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 63.74 2ba3 h SER 42 CO -0.05 -0.68 0.63 0.00 -0.53 0.00 0.00 176.83 176.20 2ba3 h ALA 43 N -1.11 1.36 0.02 6.23 0.00 -1.62 -1.83 119.26 122.31 2ba3 h ALA 43 Ca -0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2ba3 h ALA 43 Cb 0.90 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2ba3 h ALA 43 CO 0.20 0.55 -0.01 -0.92 0.00 0.00 0.00 179.25 179.07 2ba3 h TYR 44 N 1.24 -0.02 0.40 0.00 3.20 -0.86 -0.81 116.97 120.12 2ba3 h TYR 44 Ca 0.38 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 2ba3 h TYR 44 Cb -0.03 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 2ba3 h TYR 44 CO -0.00 0.02 -0.36 0.82 -1.64 0.00 0.00 178.16 177.00 2ba3 h ILE 45 N -0.06 0.00 -0.74 1.81 1.08 -0.25 0.12 117.51 119.46 2ba3 h ILE 45 Ca -0.00 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.59 2ba3 h ILE 45 Cb 0.06 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 33.72 2ba3 h ILE 45 CO 0.00 0.00 0.33 0.08 -0.69 0.00 0.00 178.15 177.88 2ba3 h ARG 46 N -0.75 0.51 0.51 2.37 0.11 -1.38 -0.07 114.38 115.69 2ba3 h ARG 46 Ca -0.05 -0.03 -0.03 0.00 0.10 0.00 0.00 59.98 59.97 2ba3 h ARG 46 Cb 0.64 -0.12 0.01 0.00 1.11 0.00 0.00 29.97 31.61 2ba3 h ARG 46 CO -0.02 0.34 -0.25 -0.97 0.10 0.00 0.00 179.97 179.17 2ba3 h ASN 47 N 0.53 -0.58 0.08 0.08 -1.24 -0.92 -2.87 115.58 110.65 2ba3 h ASN 47 Ca 0.38 -0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.34 2ba3 h ASN 47 Cb 0.50 0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.70 2ba3 h ASN 47 CO -0.33 -0.30 -0.06 0.00 -1.29 0.00 0.00 177.43 175.45 2ba3 h ALA 48 N -0.45 1.74 0.00 1.57 0.00 -0.45 -0.85 119.26 120.82 2ba3 h ALA 48 Ca -0.07 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 2ba3 h ALA 48 Cb 0.59 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2ba3 h ALA 48 CO 0.12 0.07 -0.57 0.00 0.00 0.00 0.00 179.25 178.87 2ba3 h ALA 49 N 1.94 0.82 0.04 0.00 0.00 -0.92 -3.34 119.26 117.82 2ba3 h ALA 49 Ca -0.00 -0.52 -0.35 0.00 0.00 0.00 0.00 54.91 54.04 2ba3 h ALA 49 Cb 0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2ba3 h ALA 49 CO 0.01 0.71 -1.99 1.28 0.00 0.00 0.00 179.25 179.26 2ba3 n LEU 50 N -3.52 2.36 -0.62 0.00 4.77 -0.91 -5.09 117.00 113.99 2ba3 n LEU 50 Ca -0.00 0.22 0.13 0.00 -0.03 0.00 0.00 56.01 56.34 2ba3 n LEU 50 Cb 0.65 -0.98 0.40 0.00 -2.33 0.00 0.00 43.42 41.16 2ba3 n LEU 50 CO 0.41 0.66 0.80 0.59 -1.33 0.00 0.00 177.39 178.52