#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nmu n VAL 4 N 0.00 0.00 -4.65 0.52 0.31 -1.26 -4.90 118.33 108.35 1nmu n VAL 4 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1nmu n VAL 4 Cb 0.00 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1nmu n VAL 4 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1nmu n LYS 5 N -1.83 -0.09 0.00 5.55 4.76 -1.26 -5.08 118.16 120.21 1nmu n LYS 5 Ca 0.00 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1nmu n LYS 5 Cb 0.00 -0.11 0.00 0.00 -1.84 0.00 0.00 35.03 33.08 1nmu n LYS 5 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1nmu n SER 6 N -2.18 2.53 0.24 4.39 3.41 -1.26 -5.14 113.62 115.60 1nmu n SER 6 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1nmu n SER 6 Cb 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1nmu n SER 6 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nmu n GLN 7 N 0.00 0.00 0.00 4.33 6.02 -1.26 -4.61 117.38 121.86 1nmu n GLN 7 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1nmu n GLN 7 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1nmu n GLN 7 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1nmu n GLU 8 N -3.48 0.00 -0.17 -1.09 2.13 -1.26 -2.42 120.64 114.35 1nmu n GLU 8 Ca 0.00 0.86 -0.09 0.00 0.66 0.00 0.00 57.16 58.59 1nmu n GLU 8 Cb 0.00 -1.30 0.01 0.00 0.27 0.00 0.00 31.44 30.42 1nmu n GLU 8 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1nmu h SER 9 N 0.00 0.73 -0.40 4.31 4.64 -2.00 -3.31 113.55 117.51 1nmu h SER 9 Ca 0.00 -0.22 0.04 0.00 -0.47 0.00 0.00 61.79 61.14 1nmu h SER 9 Cb 0.00 -0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 61.85 1nmu h SER 9 CO 0.00 0.76 -0.24 -0.38 -0.87 0.00 0.00 176.83 176.10 1nmu n ILE 10 N -4.49 -0.27 -0.22 0.95 2.08 -1.02 0.16 119.36 116.55 1nmu n ILE 10 Ca 0.01 1.31 -0.02 0.00 0.56 0.00 0.00 62.75 64.61 1nmu n ILE 10 Cb 0.21 -1.65 0.04 0.00 -0.75 0.00 0.00 39.64 37.48 1nmu n ILE 10 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 1nmu h ASN 11 N 0.00 -0.92 1.06 4.38 4.21 -1.63 0.22 115.58 122.90 1nmu h ASN 11 Ca 0.06 0.22 -0.07 0.00 1.21 0.00 0.00 56.30 57.72 1nmu h ASN 11 Cb 0.17 0.51 -0.01 0.00 -1.12 0.00 0.00 38.32 37.86 1nmu h ASN 11 CO -0.38 -0.27 -0.35 0.06 -1.29 0.00 0.00 177.43 175.20 1nmu h GLN 12 N -0.08 0.00 -0.15 0.81 -0.00 -1.06 -1.11 115.11 113.52 1nmu h GLN 12 Ca 0.28 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.91 1nmu h GLN 12 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.01 1nmu h GLN 12 CO -0.70 0.35 0.01 -0.22 -0.00 0.00 0.00 178.83 178.27 1nmu h LYS 13 N 0.00 0.26 0.00 0.06 1.63 0.28 -2.64 116.57 116.16 1nmu h LYS 13 Ca -0.00 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1nmu h LYS 13 Cb 0.97 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.58 1nmu h LYS 13 CO 0.05 0.46 -0.09 1.37 -3.45 0.00 0.00 179.45 177.78 1nmu h LEU 14 N 0.02 0.00 -0.69 5.20 8.10 -1.04 -3.23 115.31 123.67 1nmu h LEU 14 Ca 0.04 -0.01 0.06 0.00 0.11 0.00 0.00 57.88 58.08 1nmu h LEU 14 Cb 0.33 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.50 1nmu h LEU 14 CO 0.01 0.01 0.39 0.00 -4.11 0.00 0.00 178.44 174.73 1nmu h ALA 15 N 2.20 0.92 0.14 0.17 0.00 -0.84 -2.52 119.26 119.33 1nmu h ALA 15 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1nmu h ALA 15 Cb 0.90 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1nmu h ALA 15 CO 0.00 0.08 -0.07 1.25 0.00 0.00 0.00 179.25 180.51 1nmu h LEU 16 N 0.72 -0.16 -1.25 0.00 5.85 -1.53 -3.01 115.31 115.93 1nmu h LEU 16 Ca 0.31 -0.19 0.42 0.00 0.84 0.00 0.00 57.88 59.25 1nmu h LEU 16 Cb 0.18 0.04 -0.14 0.00 0.37 0.00 0.00 40.66 41.10 1nmu h LEU 16 CO -0.18 0.10 0.74 0.58 -0.34 0.00 0.00 178.44 179.35 1nmu h VAL 17 N -0.42 0.11 -0.41 1.05 2.07 -1.55 0.83 116.25 117.92 1nmu h VAL 17 Ca -0.02 -0.03 0.12 0.00 0.82 0.00 0.00 66.70 67.58 1nmu h VAL 17 Cb 0.34 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1nmu h VAL 17 CO 0.03 0.02 0.30 0.40 0.02 0.00 0.00 177.57 178.33 1nmu h ILE 18 N 0.09 0.80 0.00 4.57 2.04 -1.35 -1.85 117.51 121.82 1nmu h ILE 18 Ca 0.82 -0.01 -0.15 0.00 1.00 0.00 0.00 64.86 66.52 1nmu h ILE 18 Cb 2.39 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 39.22 1nmu h ILE 18 CO -0.53 0.00 -1.66 2.29 0.00 0.00 0.00 178.15 178.25 1nmu n LYS 19 N -4.42 1.95 0.07 2.37 2.85 0.27 -4.74 118.16 116.50 1nmu n LYS 19 Ca 0.07 -0.02 -0.10 0.00 -1.05 0.00 0.00 58.31 57.20 1nmu n LYS 19 Cb 0.48 -1.26 -0.07 0.00 -0.65 0.00 0.00 35.03 33.52 1nmu n LYS 19 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1nmu h SER 20 N 0.00 -0.21 -4.46 -5.58 4.64 -0.80 -3.48 113.55 103.65 1nmu h SER 20 Ca -0.22 -0.30 -0.47 0.00 -0.47 0.00 0.00 61.79 60.33 1nmu h SER 20 Cb 1.42 0.05 -0.10 0.00 -0.31 0.00 0.00 62.40 63.46 1nmu h SER 20 CO 0.01 0.33 -0.37 0.61 -0.87 0.00 0.00 176.83 176.54 1nmu n GLY 21 N 0.63 3.53 3.78 -0.77 0.00 -0.71 -4.21 105.19 107.45 1nmu n GLY 21 Ca -0.07 -2.18 -0.29 0.00 0.00 0.00 0.00 46.02 43.48 1nmu n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nmu s LYS 22 N -3.31 1.21 -0.21 1.61 1.02 0.40 -4.47 119.74 115.99 1nmu s LYS 22 Ca 0.10 0.37 -0.36 0.00 0.02 0.00 0.00 55.97 56.11 1nmu s LYS 22 Cb 0.00 -1.84 0.14 0.00 -0.52 0.00 0.00 37.83 35.62 1nmu s LYS 22 CO 0.07 -2.17 1.25 1.52 -0.92 0.00 0.00 175.35 175.10 1nmu s TYR 23 N -3.22 -0.10 -0.05 3.18 1.13 -1.26 -3.02 117.35 114.00 1nmu s TYR 23 Ca 0.63 0.06 -0.07 0.00 -1.41 0.00 0.00 57.07 56.29 1nmu s TYR 23 Cb -0.15 0.51 0.01 0.00 -1.10 0.00 0.00 41.96 41.23 1nmu s TYR 23 CO 0.54 -0.17 0.17 -0.08 -2.51 0.00 0.00 175.55 173.50 1nmu s THR 24 N -2.34 0.02 0.40 -3.49 -1.32 -0.38 -4.88 115.64 103.66 1nmu s THR 24 Ca 0.10 -0.19 0.08 0.00 -1.21 0.00 0.00 61.69 60.46 1nmu s THR 24 Cb -0.01 -0.30 -0.04 0.00 -1.51 0.00 0.00 72.50 70.64 1nmu s THR 24 CO -0.04 -0.11 0.24 -0.76 -2.21 0.00 0.00 174.62 171.74 1nmu s LEU 25 N -0.32 3.23 0.00 9.08 2.01 -1.26 0.73 118.68 132.15 1nmu s LEU 25 Ca -0.04 -0.92 0.00 0.00 0.01 0.00 0.00 54.13 53.18 1nmu s LEU 25 Cb -0.03 -1.69 0.00 0.00 0.01 0.00 0.00 46.19 44.49 1nmu s LEU 25 CO 0.01 -0.53 0.00 0.61 1.01 0.00 0.00 176.35 177.44 1nmu n GLY 26 N -1.32 0.62 0.20 -3.19 0.00 -1.20 -4.62 105.19 95.68 1nmu n GLY 26 Ca -0.00 -1.56 -0.08 0.00 0.00 0.00 0.00 46.02 44.38 1nmu n GLY 26 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1nmu h TYR 27 N 0.00 -0.46 -0.43 1.61 5.03 -1.98 -2.67 116.97 118.07 1nmu h TYR 27 Ca 0.00 -0.01 0.09 0.00 2.58 0.00 0.00 58.73 61.38 1nmu h TYR 27 Cb 0.00 0.15 -0.09 0.00 1.55 0.00 0.00 36.73 38.34 1nmu h TYR 27 CO 0.00 -0.29 -0.30 0.87 -1.32 0.00 0.00 178.16 177.12 1nmu h LYS 28 N -0.53 -0.21 -0.49 1.82 1.79 -1.99 0.15 116.57 117.12 1nmu h LYS 28 Ca -0.05 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.49 1nmu h LYS 28 Cb 0.38 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.05 1nmu h LYS 28 CO 0.08 -0.14 0.33 0.66 -1.08 0.00 0.00 179.45 179.30 1nmu h SER 29 N -0.22 0.39 -0.04 0.86 4.64 -1.82 0.12 113.55 117.49 1nmu h SER 29 Ca 0.19 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.49 1nmu h SER 29 Cb 0.52 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1nmu h SER 29 CO -0.55 0.26 -0.05 0.74 -0.87 0.00 0.00 176.83 176.35 1nmu h THR 30 N 0.44 1.41 -0.49 2.95 2.02 -0.64 0.51 112.91 119.13 1nmu h THR 30 Ca 0.21 -1.30 0.07 0.00 0.77 0.00 0.00 66.41 66.15 1nmu h THR 30 Cb 0.28 2.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.87 1nmu h THR 30 CO -0.05 0.35 0.33 0.58 0.37 0.00 0.00 175.52 177.09 1nmu h VAL 31 N -0.40 0.95 -0.02 3.16 2.07 -0.11 0.61 116.25 122.51 1nmu h VAL 31 Ca 0.00 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1nmu h VAL 31 Cb 0.60 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1nmu h VAL 31 CO 0.01 0.07 -0.02 0.50 0.02 0.00 0.00 177.57 178.15 1nmu h LYS 32 N 0.39 0.05 -0.88 1.57 3.64 -0.62 -1.97 116.57 118.74 1nmu h LYS 32 Ca 0.21 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.67 1nmu h LYS 32 Cb 0.35 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.11 1nmu h LYS 32 CO -0.05 0.54 0.57 0.66 -2.27 0.00 0.00 179.45 178.90 1nmu h SER 33 N -0.44 0.77 0.58 4.20 4.64 0.37 0.22 113.55 123.90 1nmu h SER 33 Ca 0.00 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 1nmu h SER 33 Cb 0.54 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1nmu h SER 33 CO 0.01 0.44 -0.28 -0.07 -0.87 0.00 0.00 176.83 176.06 1nmu h LEU 34 N 0.84 -0.66 -1.07 5.97 3.38 -0.86 0.82 115.31 123.73 1nmu h LEU 34 Ca 0.41 -0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.44 1nmu h LEU 34 Cb 0.46 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.30 1nmu h LEU 34 CO -0.18 -0.32 0.62 0.03 0.09 0.00 0.00 178.44 178.68 1nmu h ARG 35 N -1.02 1.01 0.00 1.13 3.08 -0.76 0.35 114.38 118.17 1nmu h ARG 35 Ca -0.08 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1nmu h ARG 35 Cb 0.66 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1nmu h ARG 35 CO 0.13 0.67 0.00 1.96 -1.07 0.00 0.00 179.97 181.66 1nmu h GLN 36 N 1.04 0.00 -0.87 0.04 4.20 -0.52 -3.47 115.11 115.53 1nmu h GLN 36 Ca 0.45 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.95 1nmu h GLN 36 Cb 0.33 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.05 1nmu h GLN 36 CO -0.20 0.00 -0.22 0.41 -0.67 0.00 0.00 178.83 178.15 1nmu n GLY 37 N 0.51 0.68 0.12 3.46 0.00 0.12 -4.92 105.19 105.17 1nmu n GLY 37 Ca 0.03 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 1nmu n GLY 37 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1nmu n LYS 38 N -2.42 0.71 -1.38 1.61 2.85 -0.05 -4.94 118.16 114.54 1nmu n LYS 38 Ca -0.11 0.27 -0.36 0.00 -1.05 0.00 0.00 58.31 57.06 1nmu n LYS 38 Cb 0.44 -1.74 0.07 0.00 -0.65 0.00 0.00 35.03 33.15 1nmu n LYS 38 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1nmu n SER 39 N -3.31 -0.19 -0.04 -5.58 2.88 -1.10 -4.71 113.62 101.56 1nmu n SER 39 Ca -0.26 0.67 -0.05 0.00 -1.33 0.00 0.00 58.87 57.90 1nmu n SER 39 Cb 1.05 -1.32 -0.04 0.00 -0.75 0.00 0.00 64.21 63.16 1nmu n SER 39 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1nmu n LYS 40 N -1.15 0.40 -3.85 -1.46 4.76 0.72 -4.94 118.16 112.63 1nmu n LYS 40 Ca 0.12 0.04 -0.11 0.00 -2.87 0.00 0.00 58.31 55.50 1nmu n LYS 40 Cb 0.49 -1.16 -0.09 0.00 -1.84 0.00 0.00 35.03 32.44 1nmu n LYS 40 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1nmu s LEU 41 N -5.38 1.38 -0.16 -0.35 0.20 -1.21 -3.70 118.68 109.47 1nmu s LEU 41 Ca -0.10 -0.34 -0.01 0.00 0.69 0.00 0.00 54.13 54.37 1nmu s LEU 41 Cb 0.03 0.93 0.04 0.00 -0.43 0.00 0.00 46.19 46.75 1nmu s LEU 41 CO 0.18 -0.53 -0.05 -0.63 -0.29 0.00 0.00 176.35 175.03 1nmu s ILE 42 N -2.41 1.06 -0.24 6.68 -1.09 -0.05 -1.55 121.20 123.59 1nmu s ILE 42 Ca -0.06 -0.55 -0.11 0.00 -2.23 0.00 0.00 60.65 57.70 1nmu s ILE 42 Cb -0.02 -1.22 -0.05 0.00 -1.58 0.00 0.00 42.46 39.59 1nmu s ILE 42 CO -0.03 0.16 0.16 -0.63 -1.23 0.00 0.00 174.94 173.37 1nmu s ILE 43 N 1.66 5.35 -0.07 2.92 1.09 -0.85 -0.66 121.20 130.65 1nmu s ILE 43 Ca 0.01 0.18 0.03 0.00 -1.10 0.00 0.00 60.65 59.77 1nmu s ILE 43 Cb -0.15 -3.50 -0.02 0.00 -1.06 0.00 0.00 42.46 37.72 1nmu s ILE 43 CO -0.08 0.34 -0.13 -0.63 -0.10 0.00 0.00 174.94 174.34 1nmu s ILE 44 N 1.12 3.12 0.49 2.92 1.01 -1.03 -1.92 121.20 126.90 1nmu s ILE 44 Ca 0.08 -0.69 -0.21 0.00 0.00 0.00 0.00 60.65 59.82 1nmu s ILE 44 Cb -0.14 -2.24 -0.07 0.00 0.01 0.00 0.00 42.46 40.02 1nmu s ILE 44 CO 0.05 0.58 1.12 0.00 0.00 0.00 0.00 174.94 176.69 1nmu s ALA 45 N -0.49 2.87 0.10 9.38 0.00 -0.71 0.05 121.76 132.96 1nmu s ALA 45 Ca 0.07 0.82 -0.33 0.00 0.00 0.00 0.00 51.96 52.51 1nmu s ALA 45 Cb -0.12 -3.34 -0.14 0.00 0.00 0.00 0.00 23.12 19.52 1nmu s ALA 45 CO 0.02 -0.59 1.59 0.00 0.00 0.00 0.00 175.76 176.77 1nmu h ALA 46 N 1.72 -0.90 0.14 0.00 0.00 -0.14 -3.17 119.26 116.90 1nmu h ALA 46 Ca -0.49 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 1nmu h ALA 46 Cb 1.24 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 1nmu h ALA 46 CO 0.59 -1.06 -0.07 -2.95 0.00 0.00 0.00 179.25 175.76 1nmu h ASN 47 N -0.81 -0.18 0.00 0.00 7.08 -1.93 -3.48 115.58 116.26 1nmu h ASN 47 Ca -0.02 0.01 0.00 0.00 -3.08 0.00 0.00 56.30 53.21 1nmu h ASN 47 Cb 0.75 0.05 0.00 0.00 -2.08 0.00 0.00 38.32 37.04 1nmu h ASN 47 CO -0.12 -0.12 0.00 0.41 -2.08 0.00 0.00 177.43 175.51 1nmu n THR 48 N -5.18 0.00 -0.90 6.14 -1.04 -1.20 -4.76 114.28 107.34 1nmu n THR 48 Ca -0.08 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.65 1nmu n THR 48 Cb 0.11 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.63 1nmu n THR 48 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1nmu n PRO 49 N 0.20 0.00 -2.50 -2.82 -0.02 -1.26 -4.73 135.00 123.87 1nmu n PRO 49 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.13 1nmu n PRO 49 Cb 0.00 -0.73 -0.03 0.00 -0.02 0.00 0.00 33.50 32.72 1nmu n PRO 49 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nmu s VAL 50 N -1.45 3.67 0.00 -1.45 1.01 -1.26 -2.38 120.40 118.54 1nmu s VAL 50 Ca 0.41 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.48 1nmu s VAL 50 Cb -0.35 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1nmu s VAL 50 CO 0.48 -0.18 0.00 0.18 0.00 0.00 0.00 175.10 175.58 1nmu n LEU 51 N -0.84 0.00 0.10 3.92 4.32 -1.26 -4.41 117.00 118.83 1nmu n LEU 51 Ca 0.09 0.00 0.09 0.00 -0.02 0.00 0.00 56.01 56.16 1nmu n LEU 51 Cb 0.52 -0.41 -0.00 0.00 -1.62 0.00 0.00 43.42 41.91 1nmu n LEU 51 CO 0.41 0.00 0.04 0.03 -1.22 0.00 0.00 177.39 176.65 1nmu h ARG 52 N 0.00 0.00 0.03 3.23 2.47 -1.89 -3.07 114.38 115.14 1nmu h ARG 52 Ca 0.00 0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.37 1nmu h ARG 52 Cb 0.00 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.27 1nmu h ARG 52 CO 0.00 0.08 -2.14 1.17 0.56 0.00 0.00 179.97 179.65 1nmu n LYS 53 N -2.78 0.68 0.23 0.04 4.81 -1.00 -4.05 118.16 116.08 1nmu n LYS 53 Ca -0.02 0.17 0.06 0.00 -0.87 0.00 0.00 58.31 57.65 1nmu n LYS 53 Cb 0.62 -1.64 0.52 0.00 0.02 0.00 0.00 35.03 34.55 1nmu n LYS 53 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1nmu h SER 54 N 0.02 0.00 0.42 3.14 4.64 -1.85 -1.22 113.55 118.70 1nmu h SER 54 Ca -0.46 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 1nmu h SER 54 Cb 2.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.16 1nmu h SER 54 CO 0.03 0.16 -0.20 -0.33 -0.87 0.00 0.00 176.83 175.62 1nmu h GLU 55 N 0.00 -0.54 -1.12 4.77 4.39 -1.68 -1.30 114.58 119.09 1nmu h GLU 55 Ca -0.00 0.04 0.32 0.00 0.34 0.00 0.00 59.36 60.06 1nmu h GLU 55 Cb 0.28 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 1nmu h GLU 55 CO 0.02 -0.36 0.80 -0.07 -1.16 0.00 0.00 179.01 178.24 1nmu h LEU 56 N -0.59 0.06 -0.20 1.33 3.38 -1.65 -0.38 115.31 117.26 1nmu h LEU 56 Ca -0.06 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1nmu h LEU 56 Cb 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1nmu h LEU 56 CO 0.09 0.01 -0.16 -0.33 0.09 0.00 0.00 178.44 178.14 1nmu h GLU 57 N 0.05 0.46 0.68 1.13 5.08 -0.85 -1.20 114.58 119.92 1nmu h GLU 57 Ca 0.55 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.64 1nmu h GLU 57 Cb 2.08 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.34 1nmu h GLU 57 CO -0.05 0.79 -0.33 -0.92 -1.00 0.00 0.00 179.01 177.51 1nmu h TYR 58 N 0.13 -0.84 0.00 4.33 3.20 0.10 -1.56 116.97 122.34 1nmu h TYR 58 Ca 0.04 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1nmu h TYR 58 Cb 0.69 0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.24 1nmu h TYR 58 CO 0.08 -0.50 0.00 1.88 -1.64 0.00 0.00 178.16 177.98 1nmu h TYR 59 N -1.17 0.00 0.09 -3.82 0.99 -1.58 0.68 116.97 112.16 1nmu h TYR 59 Ca -0.09 0.00 -0.26 0.00 2.00 0.00 0.00 58.73 60.38 1nmu h TYR 59 Cb 0.72 0.00 0.01 0.00 1.00 0.00 0.00 36.73 38.46 1nmu h TYR 59 CO 0.00 0.00 -1.14 0.00 -0.00 0.00 0.00 178.16 177.02 1nmu h ALA 60 N 2.00 0.18 0.15 3.88 0.00 -1.02 -2.07 119.26 122.39 1nmu h ALA 60 Ca 0.00 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 54.09 1nmu h ALA 60 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1nmu h ALA 60 CO 0.00 0.89 -0.07 1.98 0.00 0.00 0.00 179.25 182.04 1nmu h MET 61 N 0.14 -0.20 -0.66 0.00 1.85 0.11 0.69 114.93 116.87 1nmu h MET 61 Ca -0.12 0.01 0.06 0.00 -0.61 0.00 0.00 59.70 59.04 1nmu h MET 61 Cb 1.83 0.04 -0.04 0.00 0.43 0.00 0.00 31.60 33.87 1nmu h MET 61 CO 0.19 0.23 0.43 -0.07 -0.40 0.00 0.00 176.91 177.30 1nmu h LEU 62 N -0.72 0.59 -1.31 3.39 3.38 -0.21 -1.15 115.31 119.28 1nmu h LEU 62 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1nmu h LEU 62 Cb 0.52 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1nmu h LEU 62 CO 0.03 0.39 0.00 -1.54 0.09 0.00 0.00 178.44 177.41 1nmu n SER 63 N -4.48 1.98 -3.78 -0.43 3.41 -0.78 -4.94 113.62 104.60 1nmu n SER 63 Ca 0.09 -1.73 -0.25 0.00 -0.26 0.00 0.00 58.87 56.72 1nmu n SER 63 Cb 0.22 -0.10 0.04 0.00 -0.26 0.00 0.00 64.21 64.11 1nmu n SER 63 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1nmu n LYS 64 N 0.53 -5.58 -3.97 4.33 4.76 -0.44 -4.97 118.16 112.83 1nmu n LYS 64 Ca 0.17 0.64 -0.36 0.00 -2.87 0.00 0.00 58.31 55.89 1nmu n LYS 64 Cb 0.39 -5.42 -0.08 0.00 -1.84 0.00 0.00 35.03 28.08 1nmu n LYS 64 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1nmu s THR 65 N -3.46 5.10 0.19 -0.18 2.01 0.23 -5.02 115.64 114.52 1nmu s THR 65 Ca 0.36 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.12 1nmu s THR 65 Cb -0.18 -3.25 -0.09 0.00 0.01 0.00 0.00 72.50 69.00 1nmu s THR 65 CO 0.81 0.54 1.31 -0.75 -0.69 0.00 0.00 174.62 175.84 1nmu s LYS 66 N -0.38 4.38 -0.28 4.92 2.20 -1.24 -4.62 119.74 124.72 1nmu s LYS 66 Ca 0.10 2.05 -0.03 0.00 -0.36 0.00 0.00 55.97 57.73 1nmu s LYS 66 Cb -0.12 -3.20 0.03 0.00 -1.51 0.00 0.00 37.83 33.03 1nmu s LYS 66 CO 0.02 -0.27 0.01 0.08 -0.36 0.00 0.00 175.35 174.83 1nmu s VAL 67 N 0.20 3.26 -0.47 4.02 1.01 -1.26 -0.87 120.40 126.29 1nmu s VAL 67 Ca 0.57 -1.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.35 1nmu s VAL 67 Cb -0.36 -2.75 0.08 0.00 0.00 0.00 0.00 36.38 33.35 1nmu s VAL 67 CO 0.38 0.04 0.39 -0.47 0.00 0.00 0.00 175.10 175.43 1nmu s TYR 68 N 1.35 3.26 -0.11 5.22 5.04 0.16 -4.96 117.35 127.31 1nmu s TYR 68 Ca -0.01 -1.06 -0.29 0.00 -2.44 0.00 0.00 57.07 53.27 1nmu s TYR 68 Cb -0.18 -3.20 -0.03 0.00 0.35 0.00 0.00 41.96 38.90 1nmu s TYR 68 CO -0.01 -0.83 1.39 0.71 -1.34 0.00 0.00 175.55 175.47 1nmu s TYR 69 N 1.60 2.60 0.32 4.97 1.51 -1.26 -2.46 117.35 124.64 1nmu s TYR 69 Ca 0.04 0.76 -0.27 0.00 -1.01 0.00 0.00 57.07 56.59 1nmu s TYR 69 Cb -0.25 -3.63 -0.09 0.00 -0.11 0.00 0.00 41.96 37.88 1nmu s TYR 69 CO 0.06 -2.38 1.07 0.12 -1.11 0.00 0.00 175.55 173.30 1nmu s PHE 70 N 3.52 3.49 -1.13 2.71 5.36 0.11 -4.89 117.98 127.14 1nmu s PHE 70 Ca 0.61 1.70 -0.07 0.00 -0.96 0.00 0.00 56.93 58.21 1nmu s PHE 70 Cb -0.26 -3.19 0.27 0.00 -0.34 0.00 0.00 43.02 39.50 1nmu s PHE 70 CO 0.20 -0.49 1.42 1.04 -1.46 0.00 0.00 175.22 175.93 1nmu n GLN 71 N 0.71 4.02 -3.64 10.12 6.02 -1.26 -3.49 117.38 129.85 1nmu n GLN 71 Ca 0.01 -4.35 0.00 0.00 -0.01 0.00 0.00 57.00 52.65 1nmu n GLN 71 Cb 0.47 -2.61 0.00 0.00 1.02 0.00 0.00 30.24 29.12 1nmu n GLN 71 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nmu n GLY 72 N 2.11 -1.98 3.99 1.08 0.00 -1.26 -4.99 105.19 104.13 1nmu n GLY 72 Ca 0.28 -1.17 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 1nmu n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nmu s GLY 73 N 0.00 1.79 0.32 -0.02 0.00 -1.26 0.35 107.32 108.49 1nmu s GLY 73 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.10 1nmu s GLY 73 CO 0.00 -1.19 1.94 3.45 0.00 0.00 0.00 173.10 177.31 1nmu h ASN 74 N -0.19 0.79 -0.45 1.64 -1.07 -1.92 -1.06 115.58 113.33 1nmu h ASN 74 Ca -0.38 -0.06 0.06 0.00 0.07 0.00 0.00 56.30 55.99 1nmu h ASN 74 Cb 1.28 -0.20 -0.05 0.00 -2.07 0.00 0.00 38.32 37.28 1nmu h ASN 74 CO 0.45 0.64 0.16 -0.55 0.07 0.00 0.00 177.43 178.19 1nmu h ASN 75 N 0.90 0.16 -0.32 6.14 -0.00 -1.91 0.57 115.58 121.13 1nmu h ASN 75 Ca 0.23 0.05 -0.11 0.00 -0.00 0.00 0.00 56.30 56.47 1nmu h ASN 75 Cb 0.01 0.04 -0.01 0.00 -0.00 0.00 0.00 38.32 38.37 1nmu h ASN 75 CO -0.04 0.12 -0.23 -0.33 -0.00 0.00 0.00 177.43 176.95 1nmu h GLU 76 N 0.32 0.72 -0.85 4.14 5.08 -1.83 -2.90 114.58 119.26 1nmu h GLU 76 Ca 0.21 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1nmu h GLU 76 Cb 0.21 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1nmu h GLU 76 CO -0.22 0.96 0.49 1.25 -1.00 0.00 0.00 179.01 180.49 1nmu h LEU 77 N 0.48 1.03 0.57 1.33 6.46 -0.67 -1.26 115.31 123.27 1nmu h LEU 77 Ca 0.06 -0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.72 1nmu h LEU 77 Cb 0.79 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.45 1nmu h LEU 77 CO 0.06 0.81 -0.42 1.23 -0.62 0.00 0.00 178.44 179.51 1nmu h GLY 78 N 1.17 -1.09 2.00 3.75 0.00 0.26 -1.60 103.07 107.56 1nmu h GLY 78 Ca 0.30 0.48 -0.00 0.00 0.00 0.00 0.00 47.33 48.10 1nmu h GLY 78 CO -0.05 -0.37 -0.01 -0.91 0.00 0.00 0.00 176.54 175.19 1nmu h THR 79 N -0.96 0.13 0.00 4.70 1.35 -1.24 0.18 112.91 117.06 1nmu h THR 79 Ca -0.07 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1nmu h THR 79 Cb 0.81 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1nmu h THR 79 CO 0.02 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.31 1nmu h ALA 80 N 1.99 1.00 -0.44 6.62 0.00 -0.30 -2.49 119.26 125.63 1nmu h ALA 80 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nmu h ALA 80 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1nmu h ALA 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 179.25 179.53 1nmu n VAL 81 N -2.99 0.58 -2.26 0.00 0.31 0.58 -4.49 118.33 110.07 1nmu n VAL 81 Ca 0.03 -0.79 0.00 0.00 -0.01 0.00 0.00 64.34 63.56 1nmu n VAL 81 Cb 0.41 0.91 0.00 0.00 -0.91 0.00 0.00 33.84 34.25 1nmu n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nmu n GLY 82 N 1.51 0.76 3.13 2.92 0.00 -0.94 -5.02 105.19 107.55 1nmu n GLY 82 Ca 0.20 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 1nmu n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nmu s LYS 83 N -4.52 0.72 -0.07 1.61 3.01 -0.86 -4.99 119.74 114.64 1nmu s LYS 83 Ca 0.00 -1.02 -0.24 0.00 -1.01 0.00 0.00 55.97 53.70 1nmu s LYS 83 Cb 0.00 -0.40 -0.29 0.00 -1.01 0.00 0.00 37.83 36.14 1nmu s LYS 83 CO 0.00 0.06 0.88 -0.07 0.51 0.00 0.00 175.35 176.73 1nmu h LEU 84 N 3.86 0.32-10.28 3.17 4.07 -1.95 -2.48 115.31 112.02 1nmu h LEU 84 Ca -0.37 -0.94 -0.52 0.00 0.08 0.00 0.00 57.88 56.13 1nmu h LEU 84 Cb 1.19 -0.10 0.15 0.00 1.08 0.00 0.00 40.66 42.97 1nmu h LEU 84 CO 0.50 1.24 0.31 0.72 -1.08 0.00 0.00 178.44 180.12 1nmu s PHE 85 N -2.46 2.30 0.63 1.13 -0.12 -1.26 -4.72 117.98 113.49 1nmu s PHE 85 Ca -0.15 1.62 -0.14 0.00 -0.05 0.00 0.00 56.93 58.21 1nmu s PHE 85 Cb -0.00 -3.17 -0.02 0.00 -0.63 0.00 0.00 43.02 39.20 1nmu s PHE 85 CO 0.78 -2.10 1.06 1.03 -0.05 0.00 0.00 175.22 175.94 1nmu s ARG 86 N -4.65 3.15 -0.05 1.99 0.52 -1.26 -4.41 118.95 114.23 1nmu s ARG 86 Ca 0.64 1.12 -0.02 0.00 -0.52 0.00 0.00 55.73 56.96 1nmu s ARG 86 Cb -0.20 -2.01 0.04 0.00 0.52 0.00 0.00 34.95 33.29 1nmu s ARG 86 CO 0.54 -0.94 0.10 0.14 0.02 0.00 0.00 175.30 175.16 1nmu s VAL 87 N -2.67 -0.11 -0.92 3.52 -7.23 -0.92 -4.87 120.40 107.20 1nmu s VAL 87 Ca 0.62 0.28 0.24 0.00 -1.81 0.00 0.00 61.98 61.31 1nmu s VAL 87 Cb -0.15 -0.19 -0.04 0.00 0.56 0.00 0.00 36.38 36.55 1nmu s VAL 87 CO 0.44 0.12 1.29 0.61 -0.31 0.00 0.00 175.10 177.24 1nmu n GLY 88 N 4.67 -1.23 3.52 2.32 0.00 -1.26 -4.09 105.19 109.13 1nmu n GLY 88 Ca -0.17 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 1nmu n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nmu s VAL 89 N -3.04 0.00 0.02 1.61 0.11 -1.25 -1.74 120.40 116.11 1nmu s VAL 89 Ca 0.09 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1nmu s VAL 89 Cb 0.17 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 34.00 1nmu s VAL 89 CO 0.74 0.00 -0.02 0.54 -3.33 0.00 0.00 175.10 173.02 1nmu s VAL 90 N -2.15 0.09 -0.20 2.04 0.11 -0.81 -3.23 120.40 116.26 1nmu s VAL 90 Ca -0.00 -0.78 0.01 0.00 -2.93 0.00 0.00 61.98 58.28 1nmu s VAL 90 Cb -0.01 -0.23 0.04 0.00 -1.53 0.00 0.00 36.38 34.66 1nmu s VAL 90 CO -0.03 -0.43 -0.12 -0.55 -3.33 0.00 0.00 175.10 170.65 1nmu s SER 91 N -1.25 3.40 -1.04 3.54 0.15 0.22 -2.00 113.70 116.72 1nmu s SER 91 Ca -0.14 -0.88 -0.23 0.00 0.70 0.00 0.00 55.95 55.41 1nmu s SER 91 Cb -0.09 -1.28 0.01 0.00 -1.71 0.00 0.00 66.02 62.96 1nmu s SER 91 CO -0.01 -0.13 1.69 -0.63 1.20 0.00 0.00 173.24 175.36 1nmu s ILE 92 N 1.37 3.77 0.03 6.45 -1.09 -0.60 -1.25 121.20 129.89 1nmu s ILE 92 Ca -0.01 -0.83 -0.25 0.00 -2.23 0.00 0.00 60.65 57.33 1nmu s ILE 92 Cb -0.16 -4.72 -0.18 0.00 -1.58 0.00 0.00 42.46 35.82 1nmu s ILE 92 CO -0.09 -1.57 1.46 -0.07 -1.23 0.00 0.00 174.94 173.45 1nmu h LEU 93 N 14.75 -0.07 -6.39 2.97 3.38 -1.84 0.20 115.31 128.32 1nmu h LEU 93 Ca 0.21 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1nmu h LEU 93 Cb 0.98 0.02 -0.29 0.00 0.09 0.00 0.00 40.66 41.46 1nmu h LEU 93 CO 1.35 0.20 -0.47 -0.70 0.09 0.00 0.00 178.44 178.92 1nmu s GLU 94 N -5.13 0.38 0.19 1.13 2.12 -1.17 -4.33 118.70 111.89 1nmu s GLU 94 Ca -0.15 0.52 -0.27 0.00 0.36 0.00 0.00 54.97 55.44 1nmu s GLU 94 Cb 0.03 -0.35 -0.08 0.00 0.26 0.00 0.00 34.13 34.00 1nmu s GLU 94 CO 0.65 -0.70 0.82 0.00 -0.54 0.00 0.00 175.26 175.49 1nmu s ALA 95 N 2.58 3.42 0.00 6.30 0.00 -1.26 0.15 121.76 132.94 1nmu s ALA 95 Ca 0.13 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1nmu s ALA 95 Cb -0.15 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1nmu s ALA 95 CO -0.19 0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1nmu n GLY 96 N 1.54 0.43 0.04 0.00 0.00 -1.26 -4.73 105.19 101.22 1nmu n GLY 96 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1nmu n GLY 96 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nmu n ASP 97 N 0.00 0.03 -0.86 1.61 8.00 -1.26 -4.72 116.55 119.35 1nmu n ASP 97 Ca 0.00 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.60 1nmu n ASP 97 Cb 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1nmu n ASP 97 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1nmu n SER 98 N -0.44 0.05 0.00 -2.24 3.41 -1.26 -4.98 113.62 108.16 1nmu n SER 98 Ca 0.00 -0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.18 1nmu n SER 98 Cb 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1nmu n SER 98 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1nmu n ASP 99 N -1.28 0.00 0.15 4.04 5.75 -1.26 -4.93 116.55 119.02 1nmu n ASP 99 Ca 0.00 -1.00 0.17 0.00 -0.01 0.00 0.00 54.79 53.95 1nmu n ASP 99 Cb 0.00 0.00 0.61 0.00 -1.03 0.00 0.00 41.12 40.70 1nmu n ASP 99 CO 0.00 0.00 0.00 0.16 -0.11 0.00 0.00 177.20 177.25 1nmu h ILE 100 N 2.68 0.13 -0.16 2.12 -2.65 -1.98 0.80 117.51 118.46 1nmu h ILE 100 Ca 0.00 0.00 -0.01 0.00 1.03 0.00 0.00 64.86 65.88 1nmu h ILE 100 Cb 0.92 0.45 -0.01 0.00 -2.05 0.00 0.00 36.82 36.13 1nmu h ILE 100 CO 0.00 0.00 0.07 -0.07 0.03 0.00 0.00 178.15 178.18 1nmu h LEU 101 N 0.00 0.21 0.00 0.16 -0.00 -1.92 -2.67 115.31 111.10 1nmu h LEU 101 Ca 0.16 -0.14 -0.13 0.00 -0.00 0.00 0.00 57.88 57.77 1nmu h LEU 101 Cb 1.41 -0.06 0.08 0.00 -0.00 0.00 0.00 40.66 42.09 1nmu h LEU 101 CO -0.00 0.29 -0.06 0.41 -0.00 0.00 0.00 178.44 179.08 1nmu n THR 102 N -4.88 0.00 -0.46 0.22 -1.04 0.27 -4.42 114.28 103.97 1nmu n THR 102 Ca -0.04 0.00 0.36 0.00 -2.04 0.00 0.00 64.05 62.33 1nmu n THR 102 Cb 0.10 -0.35 0.58 0.00 -1.82 0.00 0.00 70.33 68.85 1nmu n THR 102 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1nmu n THR 103 N -3.85 -0.10 -0.27 12.58 -1.04 -1.26 -1.47 114.28 118.87 1nmu n THR 103 Ca 0.05 1.29 0.03 0.00 -2.04 0.00 0.00 64.05 63.38 1nmu n THR 103 Cb 0.21 -2.14 0.09 0.00 -1.82 0.00 0.00 70.33 66.67 1nmu n THR 103 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1nmu n LEU 104 N -3.90 -0.31 0.00 -4.42 4.32 -1.26 -4.99 117.00 106.44 1nmu n LEU 104 Ca 0.33 1.26 0.00 0.00 -0.02 0.00 0.00 56.01 57.59 1nmu n LEU 104 Cb 1.39 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 42.83 1nmu n LEU 104 CO 0.24 -1.19 0.03 0.00 -1.22 0.00 0.00 177.39 175.25