#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rm4 s ALA 0 N 0.00 2.84 0.06 4.61 0.00 -1.26 -4.98 121.76 123.03 2rm4 s ALA 0 Ca 0.00 1.23 -0.22 0.00 0.00 0.00 0.00 51.96 52.97 2rm4 s ALA 0 Cb 0.00 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.54 2rm4 s ALA 0 CO 0.00 -1.21 0.67 -1.64 0.00 0.00 0.00 175.76 173.58 2rm4 s MET 1 N -2.88 4.38 0.46 0.00 1.00 -1.26 -5.04 119.30 115.97 2rm4 s MET 1 Ca 0.70 0.90 -0.23 0.00 0.00 0.00 0.00 55.69 57.06 2rm4 s MET 1 Cb -0.37 -3.31 -0.07 0.00 0.00 0.00 0.00 34.83 31.07 2rm4 s MET 1 CO 0.44 0.44 1.21 0.20 0.00 0.00 0.00 175.02 177.32 2rm4 s GLY 2 N -0.54 2.82 -0.51 -0.03 0.00 -1.26 -4.87 107.32 102.94 2rm4 s GLY 2 Ca 0.33 1.03 -0.26 0.00 0.00 0.00 0.00 44.72 45.83 2rm4 s GLY 2 CO 0.21 1.52 2.41 2.56 0.00 0.00 0.00 173.10 179.79 2rm4 s PRO 3 N -2.65 2.07 0.00 2.90 0.04 -1.26 -4.78 135.00 131.32 2rm4 s PRO 3 Ca 0.64 1.36 0.20 0.00 0.04 0.00 0.00 61.00 63.24 2rm4 s PRO 3 Cb -0.32 -4.59 0.55 0.00 0.04 0.00 0.00 34.50 30.18 2rm4 s PRO 3 CO 0.39 -3.34 1.46 0.25 0.04 0.00 0.00 177.00 175.80 2rm4 n THR 4 N 8.03 0.76 -2.70 1.26 -2.24 -1.26 -4.91 114.28 113.21 2rm4 n THR 4 Ca 0.37 -0.80 -0.40 0.00 -2.27 0.00 0.00 64.05 60.95 2rm4 n THR 4 Cb 0.54 0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 69.22 2rm4 n THR 4 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2rm4 s ASP 5 N -1.11 7.58 0.00 3.42 1.01 -1.26 -4.79 116.67 121.52 2rm4 s ASP 5 Ca 0.41 2.00 0.20 0.00 0.71 0.00 0.00 52.55 55.88 2rm4 s ASP 5 Cb 0.22 -2.61 1.09 0.00 1.01 0.00 0.00 42.92 42.63 2rm4 s ASP 5 CO 0.29 0.10 1.63 0.00 0.21 0.00 0.00 175.17 177.41 2rm4 n GLN 6 N 1.42 0.41 0.22 8.23 6.02 -1.26 -3.00 117.38 129.41 2rm4 n GLN 6 Ca -0.02 0.07 0.08 0.00 -0.01 0.00 0.00 57.00 57.12 2rm4 n GLN 6 Cb 0.47 -1.50 0.51 0.00 1.02 0.00 0.00 30.24 30.74 2rm4 n GLN 6 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2rm4 h ASP 7 N 0.00 0.00 1.14 1.08 3.32 -2.00 -2.87 116.42 117.10 2rm4 h ASP 7 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2rm4 h ASP 7 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2rm4 h ASP 7 CO 0.00 0.25 0.00 0.79 -1.72 0.00 0.00 179.24 178.56 2rm4 n TRP 8 N -3.66 0.69 -1.68 4.55 5.03 -1.16 -4.86 117.44 116.35 2rm4 n TRP 8 Ca -0.01 0.22 -0.45 0.00 3.03 0.00 0.00 57.50 60.29 2rm4 n TRP 8 Cb 0.37 -0.86 -0.04 0.00 -1.03 0.00 0.00 31.31 29.75 2rm4 n TRP 8 CO 0.00 0.00 0.00 -0.89 -0.03 0.00 0.00 177.69 176.77 2rm4 n ILE 9 N -2.09 0.33 -0.71 -0.99 2.08 -1.08 -0.01 119.36 116.89 2rm4 n ILE 9 Ca 0.05 -0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.28 2rm4 n ILE 9 Cb 0.35 -1.56 0.00 0.00 -0.75 0.00 0.00 39.64 37.68 2rm4 n ILE 9 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2rm4 n GLY 10 N 3.01 0.99 3.87 7.39 0.00 0.31 -4.95 105.19 115.80 2rm4 n GLY 10 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 2rm4 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rm4 s ALA 12 N -2.52 3.58 0.10 0.00 0.00 -0.68 -1.95 121.76 120.30 2rm4 s ALA 12 Ca 0.54 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.88 2rm4 s ALA 12 Cb -0.10 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 2rm4 s ALA 12 CO 0.33 -0.76 -0.08 0.14 0.00 0.00 0.00 175.76 175.40 2rm4 s VAL 13 N 2.29 0.79 -0.02 0.00 -7.23 -1.07 -0.68 120.40 114.48 2rm4 s VAL 13 Ca 0.20 -1.89 0.08 0.00 -1.81 0.00 0.00 61.98 58.56 2rm4 s VAL 13 Cb -0.16 -1.63 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 2rm4 s VAL 13 CO 0.09 -0.80 -0.26 -0.55 -0.31 0.00 0.00 175.10 173.27 2rm4 s SER 14 N -2.95 3.01 -0.15 4.85 0.15 -0.66 -2.70 113.70 115.26 2rm4 s SER 14 Ca 0.11 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.31 2rm4 s SER 14 Cb 0.03 -0.34 0.02 0.00 -1.71 0.00 0.00 66.02 64.02 2rm4 s SER 14 CO -0.03 0.31 -0.18 -0.63 1.20 0.00 0.00 173.24 173.91 2rm4 s ILE 15 N -0.59 1.81 -0.41 6.45 -1.09 -0.53 -2.08 121.20 124.74 2rm4 s ILE 15 Ca 0.10 -0.80 -0.16 0.00 -2.23 0.00 0.00 60.65 57.55 2rm4 s ILE 15 Cb -0.10 -1.65 0.02 0.00 -1.58 0.00 0.00 42.46 39.16 2rm4 s ILE 15 CO -0.01 0.50 0.36 0.00 -1.23 0.00 0.00 174.94 174.56 2rm4 s ALA 16 N 1.17 3.46 0.45 9.38 0.00 -0.57 -2.49 121.76 133.16 2rm4 s ALA 16 Ca -0.00 -1.64 0.03 0.00 0.00 0.00 0.00 51.96 50.35 2rm4 s ALA 16 Cb -0.14 -2.96 0.01 0.00 0.00 0.00 0.00 23.12 20.03 2rm4 s ALA 16 CO -0.07 -1.52 0.65 0.00 0.00 0.00 0.00 175.76 174.82 2rm4 n ASP 18 N -2.04 -1.73 -0.15 0.00 2.03 -1.22 -4.22 116.55 109.22 2rm4 n ASP 18 Ca 0.04 -0.12 0.16 0.00 0.52 0.00 0.00 54.79 55.38 2rm4 n ASP 18 Cb 0.58 -1.23 0.52 0.00 -0.72 0.00 0.00 41.12 40.27 2rm4 n ASP 18 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2rm4 h GLU 19 N -2.56 0.37 0.00 -0.67 5.08 -1.96 0.18 114.58 115.02 2rm4 h GLU 19 Ca -0.60 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 57.66 2rm4 h GLU 19 Cb 1.33 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2rm4 h GLU 19 CO 0.47 0.25 -0.39 0.28 -1.00 0.00 0.00 179.01 178.61 2rm4 h VAL 20 N 0.38 0.82 0.00 3.13 2.07 -2.01 -3.06 116.25 117.59 2rm4 h VAL 20 Ca 0.36 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 66.20 2rm4 h VAL 20 Cb 0.86 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 2rm4 h VAL 20 CO -0.11 0.39 -0.92 0.18 0.02 0.00 0.00 177.57 177.12 2rm4 n LEU 21 N -3.41 0.72 0.00 2.57 4.77 0.57 -5.06 117.00 117.17 2rm4 n LEU 21 Ca 0.01 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2rm4 n LEU 21 Cb 0.57 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2rm4 n LEU 21 CO 0.37 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 2rm4 n GLY 22 N 1.28 0.65 3.06 -0.72 0.00 -0.86 -4.82 105.19 103.78 2rm4 n GLY 22 Ca 0.01 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 2rm4 n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rm4 s VAL 23 N 0.00 0.88 0.14 1.61 1.01 -1.26 -1.80 120.40 120.97 2rm4 s VAL 23 Ca 0.00 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.54 2rm4 s VAL 23 Cb 0.00 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 2rm4 s VAL 23 CO 0.00 0.24 -0.10 0.72 0.00 0.00 0.00 175.10 175.96 2rm4 s PHE 24 N -0.28 1.23 0.03 5.22 -0.12 -1.04 -2.28 117.98 120.75 2rm4 s PHE 24 Ca 0.04 -0.74 0.02 0.00 -0.05 0.00 0.00 56.93 56.20 2rm4 s PHE 24 Cb -0.04 -0.64 -0.02 0.00 -0.63 0.00 0.00 43.02 41.69 2rm4 s PHE 24 CO -0.00 0.07 -0.06 -0.65 -0.05 0.00 0.00 175.22 174.52 2rm4 s GLN 25 N -3.55 0.44 -0.04 1.99 -0.21 0.13 -1.46 119.66 116.97 2rm4 s GLN 25 Ca 0.14 -0.55 -0.31 0.00 0.02 0.00 0.00 55.36 54.66 2rm4 s GLN 25 Cb 0.01 -0.25 0.13 0.00 1.00 0.00 0.00 33.01 33.90 2rm4 s GLN 25 CO 0.00 0.05 1.31 0.20 -2.12 0.00 0.00 175.29 174.73 2rm4 s GLY 26 N -1.11 -0.42 -0.02 3.09 0.00 -1.10 -2.29 107.32 105.47 2rm4 s GLY 26 Ca -0.07 0.77 -0.20 0.00 0.00 0.00 0.00 44.72 45.23 2rm4 s GLY 26 CO 0.00 0.15 0.56 1.08 0.00 0.00 0.00 173.10 174.89 2rm4 s LEU 27 N -2.95 4.41 0.28 0.66 1.43 -1.24 -2.60 118.68 118.66 2rm4 s LEU 27 Ca 0.14 1.10 -0.29 0.00 -1.03 0.00 0.00 54.13 54.05 2rm4 s LEU 27 Cb 0.05 -2.86 -0.10 0.00 0.03 0.00 0.00 46.19 43.32 2rm4 s LEU 27 CO -0.04 0.12 1.36 -0.63 0.23 0.00 0.00 176.35 177.38 2rm4 s ILE 28 N -0.21 2.78 -0.18 -0.59 1.01 -0.82 -1.68 121.20 121.51 2rm4 s ILE 28 Ca 0.29 0.71 0.06 0.00 0.00 0.00 0.00 60.65 61.72 2rm4 s ILE 28 Cb -0.18 -3.45 -0.15 0.00 0.01 0.00 0.00 42.46 38.69 2rm4 s ILE 28 CO 0.16 0.14 -0.08 1.17 0.00 0.00 0.00 174.94 176.32 2rm4 n LYS 29 N 1.67 0.89 -3.67 2.79 4.81 0.20 0.11 118.16 124.97 2rm4 n LYS 29 Ca 0.03 0.07 -0.13 0.00 -0.87 0.00 0.00 58.31 57.41 2rm4 n LYS 29 Cb 0.41 -1.39 -0.07 0.00 0.02 0.00 0.00 35.03 34.01 2rm4 n LYS 29 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2rm4 s GLN 30 N -2.38 0.90 -0.00 1.64 -0.21 -1.03 -4.74 119.66 113.84 2rm4 s GLN 30 Ca -0.19 -0.30 0.00 0.00 0.02 0.00 0.00 55.36 54.89 2rm4 s GLN 30 Cb 0.06 0.40 0.00 0.00 1.00 0.00 0.00 33.01 34.47 2rm4 s GLN 30 CO 0.52 -0.30 -0.01 0.42 -2.12 0.00 0.00 175.29 173.80 2rm4 s ILE 31 N -2.25 0.10 0.07 1.08 1.01 -1.26 -1.47 121.20 118.48 2rm4 s ILE 31 Ca -0.07 -0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 2rm4 s ILE 31 Cb -0.01 -0.11 -0.00 0.00 0.01 0.00 0.00 42.46 42.35 2rm4 s ILE 31 CO -0.01 0.04 0.16 -0.94 0.00 0.00 0.00 174.94 174.19 2rm4 s SER 32 N 0.07 0.14 0.61 3.58 1.04 -0.78 -4.91 113.70 113.46 2rm4 s SER 32 Ca -0.00 -0.61 0.31 0.00 0.48 0.00 0.00 55.95 56.12 2rm4 s SER 32 Cb -0.02 0.31 1.70 0.00 0.10 0.00 0.00 66.02 68.11 2rm4 s SER 32 CO -0.00 -0.66 2.05 0.00 0.98 0.00 0.00 173.24 175.61 2rm4 h ALA 33 N 3.01 1.68 0.00 5.32 0.00 -1.96 -1.45 119.26 125.86 2rm4 h ALA 33 Ca -0.33 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.38 2rm4 h ALA 33 Cb 1.19 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2rm4 h ALA 33 CO 0.55 -0.35 -1.64 0.39 0.00 0.00 0.00 179.25 178.20 2rm4 n GLU 34 N -3.51 0.64 -3.54 0.00 1.02 -1.26 -4.87 120.64 109.11 2rm4 n GLU 34 Ca 0.01 0.15 -0.12 0.00 -0.02 0.00 0.00 57.16 57.19 2rm4 n GLU 34 Cb 0.37 -1.73 -0.04 0.00 -0.02 0.00 0.00 31.44 30.02 2rm4 n GLU 34 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2rm4 s GLU 35 N -2.90 1.14 -0.05 3.49 -1.05 -0.55 -3.30 118.70 115.48 2rm4 s GLU 35 Ca -0.05 -0.53 0.03 0.00 -0.15 0.00 0.00 54.97 54.28 2rm4 s GLU 35 Cb 0.09 0.52 -0.03 0.00 -0.44 0.00 0.00 34.13 34.27 2rm4 s GLU 35 CO 0.82 -0.46 -0.14 0.42 0.95 0.00 0.00 175.26 176.85 2rm4 s ILE 36 N -3.52 3.10 -0.07 1.83 -1.09 -0.91 -1.86 121.20 118.68 2rm4 s ILE 36 Ca 0.01 -0.71 0.04 0.00 -2.23 0.00 0.00 60.65 57.75 2rm4 s ILE 36 Cb 0.00 -2.22 0.00 0.00 -1.58 0.00 0.00 42.46 38.67 2rm4 s ILE 36 CO -0.10 0.59 -0.19 -0.89 -1.23 0.00 0.00 174.94 173.12 2rm4 s THR 37 N -0.74 1.64 0.29 2.92 2.01 -0.54 -2.41 115.64 118.82 2rm4 s THR 37 Ca 0.12 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.34 2rm4 s THR 37 Cb -0.11 -1.43 -0.05 0.00 0.01 0.00 0.00 72.50 70.92 2rm4 s THR 37 CO 0.01 0.47 0.11 0.27 -0.69 0.00 0.00 174.62 174.79 2rm4 s ILE 38 N 0.34 0.57 0.23 1.82 -4.36 -0.74 -0.63 121.20 118.43 2rm4 s ILE 38 Ca -0.13 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.31 2rm4 s ILE 38 Cb -0.16 -2.60 -0.05 0.00 1.25 0.00 0.00 42.46 40.91 2rm4 s ILE 38 CO 0.05 0.00 -0.06 0.68 0.24 0.00 0.00 174.94 175.86 2rm4 s VAL 39 N -3.60 1.36 -0.90 8.37 -7.23 -0.67 -1.92 120.40 115.81 2rm4 s VAL 39 Ca 0.36 -2.10 -0.05 0.00 -1.81 0.00 0.00 61.98 58.38 2rm4 s VAL 39 Cb 0.07 -2.25 -0.02 0.00 0.56 0.00 0.00 36.38 34.73 2rm4 s VAL 39 CO 0.15 -0.43 0.77 0.54 -0.31 0.00 0.00 175.10 175.83 2rm4 n ARG 40 N -0.43 -1.62 -2.11 4.82 5.12 -1.21 -3.69 116.66 117.55 2rm4 n ARG 40 Ca -0.06 1.10 -0.42 0.00 -1.93 0.00 0.00 57.85 56.53 2rm4 n ARG 40 Cb 0.63 -5.28 -0.03 0.00 -1.16 0.00 0.00 32.46 26.62 2rm4 n ARG 40 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2rm4 s ALA 41 N -3.18 3.62 -0.09 7.54 0.00 -1.26 -4.69 121.76 123.70 2rm4 s ALA 41 Ca 0.21 0.99 0.02 0.00 0.00 0.00 0.00 51.96 53.18 2rm4 s ALA 41 Cb -0.04 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 2rm4 s ALA 41 CO 0.77 -1.01 -0.15 -0.06 0.00 0.00 0.00 175.76 175.32 2rm4 s PHE 42 N 2.57 2.73 0.01 0.00 0.40 -0.97 -2.81 117.98 119.91 2rm4 s PHE 42 Ca 0.68 -0.47 0.02 0.00 -0.60 0.00 0.00 56.93 56.56 2rm4 s PHE 42 Cb -0.34 -1.74 -0.01 0.00 0.51 0.00 0.00 43.02 41.44 2rm4 s PHE 42 CO 0.28 -0.06 -0.07 0.50 0.70 0.00 0.00 175.22 176.57 2rm4 s ARG 43 N -0.12 0.55 -1.50 0.44 3.52 -0.54 -0.69 118.95 120.62 2rm4 s ARG 43 Ca -0.02 -0.39 -0.12 0.00 -0.13 0.00 0.00 55.73 55.07 2rm4 s ARG 43 Cb -0.14 -0.49 0.08 0.00 -1.56 0.00 0.00 34.95 32.84 2rm4 s ARG 43 CO 0.04 0.13 0.87 0.09 -0.81 0.00 0.00 175.30 175.61 2rm4 n ASN 44 N 2.50 -4.78 -1.61 -2.12 5.03 -0.96 -1.34 115.26 111.97 2rm4 n ASN 44 Ca -0.16 -0.67 -0.19 0.00 0.87 0.00 0.00 54.58 54.44 2rm4 n ASN 44 Cb 0.57 -3.84 -0.07 0.00 -1.02 0.00 0.00 39.78 35.43 2rm4 n ASN 44 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2rm4 n GLY 45 N -1.59 1.37 3.05 7.41 0.00 -1.26 -4.96 105.19 109.21 2rm4 n GLY 45 Ca 0.02 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 2rm4 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rm4 s VAL 46 N -2.76 0.11 0.30 1.61 1.01 -0.45 -5.14 120.40 115.09 2rm4 s VAL 46 Ca 0.00 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 2rm4 s VAL 46 Cb 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 36.38 35.77 2rm4 s VAL 46 CO 0.00 -0.51 1.24 -2.84 0.00 0.00 0.00 175.10 172.99 2rm4 s PRO 47 N -1.80 4.45 0.51 2.72 0.02 -1.26 -1.46 135.00 138.16 2rm4 s PRO 47 Ca -0.12 2.08 -0.18 0.00 0.02 0.00 0.00 61.00 62.79 2rm4 s PRO 47 Cb -0.07 -3.12 -0.08 0.00 0.02 0.00 0.00 34.50 31.26 2rm4 s PRO 47 CO -0.01 -0.07 1.00 -0.51 -0.33 0.00 0.00 177.00 177.08 2rm4 s LEU 48 N -1.54 3.71 0.38 -5.54 1.43 -1.12 -4.84 118.68 111.15 2rm4 s LEU 48 Ca 0.48 1.71 0.08 0.00 -1.03 0.00 0.00 54.13 55.37 2rm4 s LEU 48 Cb -0.37 -4.53 0.82 0.00 0.03 0.00 0.00 46.19 42.14 2rm4 s LEU 48 CO 0.48 -0.68 1.94 0.03 0.23 0.00 0.00 176.35 178.35 2rm4 h ARG 49 N 1.16 0.65 -4.41 1.70 3.08 -1.95 -3.29 114.38 111.32 2rm4 h ARG 49 Ca -0.48 -0.04 -0.74 0.00 0.07 0.00 0.00 59.98 58.80 2rm4 h ARG 49 Cb 1.20 -0.15 -0.22 0.00 0.08 0.00 0.00 29.97 30.88 2rm4 h ARG 49 CO 0.60 0.43 0.33 0.15 -1.07 0.00 0.00 179.97 180.41 2rm4 s LYS 50 N -5.61 3.46 0.28 0.04 1.02 -1.26 -4.88 119.74 112.78 2rm4 s LYS 50 Ca -0.09 -1.97 -0.02 0.00 0.02 0.00 0.00 55.97 53.91 2rm4 s LYS 50 Cb 0.20 -4.55 0.38 0.00 -0.52 0.00 0.00 37.83 33.35 2rm4 s LYS 50 CO 0.77 -1.50 1.86 1.96 -0.92 0.00 0.00 175.35 177.52 2rm4 h GLN 51 N 8.46 0.94 -0.06 1.68 4.20 -1.91 -2.40 115.11 126.01 2rm4 h GLN 51 Ca 0.02 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.58 2rm4 h GLN 51 Cb 1.05 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.67 2rm4 h GLN 51 CO 0.95 0.77 0.00 0.09 -0.67 0.00 0.00 178.83 179.97 2rm4 n ASN 52 N -4.31 1.18 -4.74 1.46 3.02 -1.26 -3.31 115.26 107.29 2rm4 n ASN 52 Ca 0.06 -1.50 -0.41 0.00 -0.03 0.00 0.00 54.58 52.70 2rm4 n ASN 52 Cb 0.17 -0.04 -0.04 0.00 -0.61 0.00 0.00 39.78 39.26 2rm4 n ASN 52 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rm4 s ALA 53 N -1.93 3.37 0.10 5.41 0.00 -0.90 -4.82 121.76 122.99 2rm4 s ALA 53 Ca 0.36 0.81 -0.19 0.00 0.00 0.00 0.00 51.96 52.94 2rm4 s ALA 53 Cb 0.19 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.89 2rm4 s ALA 53 CO 0.30 -0.19 0.59 -1.83 0.00 0.00 0.00 175.76 174.62 2rm4 s GLU 54 N -0.42 4.19 -0.22 0.00 -1.05 -1.26 -4.05 118.70 115.88 2rm4 s GLU 54 Ca 0.49 0.73 -0.08 0.00 -0.15 0.00 0.00 54.97 55.96 2rm4 s GLU 54 Cb -0.29 -3.16 -0.04 0.00 -0.44 0.00 0.00 34.13 30.20 2rm4 s GLU 54 CO 0.35 0.59 0.08 0.08 0.95 0.00 0.00 175.26 177.32 2rm4 s VAL 55 N -1.20 4.69 -0.22 1.83 1.01 -0.81 -4.97 120.40 120.73 2rm4 s VAL 55 Ca 0.32 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.25 2rm4 s VAL 55 Cb -0.19 -3.16 0.05 0.00 0.00 0.00 0.00 36.38 33.08 2rm4 s VAL 55 CO 0.20 0.39 -0.10 -0.69 0.00 0.00 0.00 175.10 174.89 2rm4 s VAL 56 N 1.02 1.75 -0.04 2.92 1.01 -1.26 -1.79 120.40 124.01 2rm4 s VAL 56 Ca 0.05 -1.19 0.03 0.00 0.00 0.00 0.00 61.98 60.87 2rm4 s VAL 56 Cb -0.14 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.38 2rm4 s VAL 56 CO 0.03 0.09 -0.13 -0.76 0.00 0.00 0.00 175.10 174.32 2rm4 s LEU 57 N 1.33 1.80 0.35 3.92 1.43 -1.01 -4.97 118.68 121.52 2rm4 s LEU 57 Ca -0.04 -0.29 -0.26 0.00 -1.03 0.00 0.00 54.13 52.51 2rm4 s LEU 57 Cb -0.17 -0.80 -0.09 0.00 0.03 0.00 0.00 46.19 45.15 2rm4 s LEU 57 CO -0.07 0.09 1.07 -0.54 0.23 0.00 0.00 176.35 177.13 2rm4 s LYS 58 N 0.26 4.36 0.48 1.70 1.02 -1.26 -2.13 119.74 124.16 2rm4 s LYS 58 Ca -0.07 1.64 0.20 0.00 0.02 0.00 0.00 55.97 57.76 2rm4 s LYS 58 Cb -0.12 -2.82 1.23 0.00 -0.52 0.00 0.00 37.83 35.60 2rm4 s LYS 58 CO 0.02 0.01 1.98 0.00 -0.92 0.00 0.00 175.35 176.43 2rm4 h THR 60 N 0.20 0.80 0.00 0.00 1.35 -1.91 -2.03 112.91 111.31 2rm4 h THR 60 Ca 0.28 -0.63 -0.13 0.00 -0.55 0.00 0.00 66.41 65.39 2rm4 h THR 60 Cb 0.85 1.37 -0.02 0.00 -1.73 0.00 0.00 68.15 68.62 2rm4 h THR 60 CO -0.05 0.16 -1.20 0.44 -0.25 0.00 0.00 175.52 174.62 2rm4 h ASP 61 N 0.00 0.00 -3.71 5.36 3.32 -1.40 -3.46 116.42 116.53 2rm4 h ASP 61 Ca -0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 2rm4 h ASP 61 Cb 0.36 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 2rm4 h ASP 61 CO 0.02 0.45 0.30 -0.63 -1.72 0.00 0.00 179.24 177.66 2rm4 s ILE 62 N -3.01 4.19 -0.17 0.35 1.01 -0.76 -3.40 121.20 119.40 2rm4 s ILE 62 Ca -0.01 1.90 0.17 0.00 0.00 0.00 0.00 60.65 62.71 2rm4 s ILE 62 Cb 0.09 -4.20 -0.24 0.00 0.01 0.00 0.00 42.46 38.12 2rm4 s ILE 62 CO 0.80 0.42 0.10 0.54 0.00 0.00 0.00 174.94 176.80 2rm4 n ARG 63 N 1.29 0.84 -3.50 2.79 5.12 -0.48 -4.90 116.66 117.82 2rm4 n ARG 63 Ca -0.02 -0.03 -0.16 0.00 -1.93 0.00 0.00 57.85 55.71 2rm4 n ARG 63 Cb 0.48 -1.49 -0.05 0.00 -1.16 0.00 0.00 32.46 30.24 2rm4 n ARG 63 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2rm4 s SER 64 N -5.27 -0.62 0.02 0.55 0.01 -1.08 -5.04 113.70 102.26 2rm4 s SER 64 Ca -0.09 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.67 2rm4 s SER 64 Cb 0.06 0.54 -0.02 0.00 0.21 0.00 0.00 66.02 66.82 2rm4 s SER 64 CO 0.79 -0.69 -0.03 -0.63 0.41 0.00 0.00 173.24 173.09 2rm4 s ILE 65 N -1.89 0.11 -0.04 1.44 1.01 -1.26 -1.52 121.20 119.05 2rm4 s ILE 65 Ca -0.07 -0.79 -0.00 0.00 0.00 0.00 0.00 60.65 59.79 2rm4 s ILE 65 Cb -0.00 -0.24 0.03 0.00 0.01 0.00 0.00 42.46 42.26 2rm4 s ILE 65 CO 0.03 -0.43 0.00 1.51 0.00 0.00 0.00 174.94 176.06 2rm4 s ASP 66 N -1.26 0.78 -0.34 3.58 -4.77 -0.89 -5.01 116.67 108.77 2rm4 s ASP 66 Ca -0.14 -0.03 -0.29 0.00 -3.30 0.00 0.00 52.55 48.79 2rm4 s ASP 66 Cb -0.09 -0.27 0.01 0.00 -1.09 0.00 0.00 42.92 41.48 2rm4 s ASP 66 CO -0.01 -0.13 1.29 -0.76 0.70 0.00 0.00 175.17 176.26 2rm4 s LEU 67 N 1.34 3.81 -0.07 2.11 1.43 -1.26 -1.65 118.68 124.39 2rm4 s LEU 67 Ca -0.05 1.07 -0.12 0.00 -1.03 0.00 0.00 54.13 54.00 2rm4 s LEU 67 Cb -0.13 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.47 2rm4 s LEU 67 CO -0.02 -1.14 0.44 0.40 0.23 0.00 0.00 176.35 176.25 2rm4 h ILE 68 N 6.06 0.32 -3.93 -0.59 2.04 -1.25 -3.48 117.51 116.68 2rm4 h ILE 68 Ca -0.26 -1.01 -0.26 0.00 1.00 0.00 0.00 64.86 64.34 2rm4 h ILE 68 Cb 1.09 0.56 -0.24 0.00 -0.74 0.00 0.00 36.82 37.50 2rm4 h ILE 68 CO 1.05 0.09 -0.73 -1.61 0.00 0.00 0.00 178.15 176.95 2rm4 s GLU 69 N -2.55 0.40 0.49 2.37 2.02 -1.01 -5.02 118.70 115.39 2rm4 s GLU 69 Ca -0.07 -0.51 0.15 0.00 0.02 0.00 0.00 54.97 54.57 2rm4 s GLU 69 Cb 0.00 -0.20 1.17 0.00 0.10 0.00 0.00 34.13 35.20 2rm4 s GLU 69 CO 0.23 0.04 2.09 -1.35 0.02 0.00 0.00 175.26 176.28 2rm4 h PRO 70 N 5.07 0.17 -2.01 0.39 0.11 -1.92 -1.81 132.00 132.00 2rm4 h PRO 70 Ca -0.32 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.74 2rm4 h PRO 70 Cb 1.20 -0.04 -0.21 0.00 0.11 0.00 0.00 31.00 32.07 2rm4 h PRO 70 CO 0.44 0.11 0.14 0.00 -0.21 0.00 0.00 178.00 178.48 2rm4 s ALA 71 N -5.20 -1.77 0.20 -0.75 0.00 -1.26 -4.08 121.76 108.90 2rm4 s ALA 71 Ca -0.06 1.90 -0.10 0.00 0.00 0.00 0.00 51.96 53.70 2rm4 s ALA 71 Cb 0.18 -0.98 0.14 0.00 0.00 0.00 0.00 23.12 22.45 2rm4 s ALA 71 CO 0.70 -0.34 1.83 -0.22 0.00 0.00 0.00 175.76 177.73 2rm4 h LYS 72 N 4.67 0.99 -2.43 0.00 1.63 -1.84 -3.46 116.57 116.13 2rm4 h LYS 72 Ca -0.29 -0.10 -0.26 0.00 -0.85 0.00 0.00 60.65 59.16 2rm4 h LYS 72 Cb 1.16 -0.20 -0.06 0.00 -0.60 0.00 0.00 32.23 32.52 2rm4 h LYS 72 CO 0.11 0.71 -0.28 0.94 -3.45 0.00 0.00 179.45 177.49 2rm4 n GLN 73 N -4.51 -1.68 -0.02 1.90 7.27 -1.26 -4.78 117.38 114.30 2rm4 n GLN 73 Ca 0.06 0.69 0.08 0.00 0.07 0.00 0.00 57.00 57.91 2rm4 n GLN 73 Cb 0.07 -5.09 0.08 0.00 2.41 0.00 0.00 30.24 27.71 2rm4 n GLN 73 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2rm4 n ASP 74 N -1.04 2.50 -0.03 1.69 8.00 -1.26 -4.52 116.55 121.89 2rm4 n ASP 74 Ca -0.14 -1.73 -0.01 0.00 0.71 0.00 0.00 54.79 53.62 2rm4 n ASP 74 Cb 0.50 -0.03 0.26 0.00 -0.02 0.00 0.00 41.12 41.83 2rm4 n ASP 74 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2rm4 h LEU 75 N 3.30 0.55 -1.28 0.64 3.38 -1.87 -2.43 115.31 117.61 2rm4 h LEU 75 Ca 0.00 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.87 2rm4 h LEU 75 Cb 0.72 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 2rm4 h LEU 75 CO 0.00 0.63 0.49 0.44 0.09 0.00 0.00 178.44 180.10 2rm4 h ASP 76 N 0.56 0.83 0.00 -0.43 3.32 -1.94 -3.37 116.42 115.40 2rm4 h ASP 76 Ca 0.12 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2rm4 h ASP 76 Cb 0.38 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2rm4 h ASP 76 CO 0.01 0.59 0.00 0.61 -1.72 0.00 0.00 179.24 178.73 2rm4 n GLY 77 N -1.42 0.30 3.35 2.75 0.00 -1.06 -4.95 105.19 104.15 2rm4 n GLY 77 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 2rm4 n GLY 77 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rm4 s HIS 78 N -0.20 1.63 -0.04 1.61 3.76 -0.94 -5.04 115.29 116.07 2rm4 s HIS 78 Ca 0.00 -1.16 0.04 0.00 -0.15 0.00 0.00 55.06 53.79 2rm4 s HIS 78 Cb 0.00 -0.97 -0.03 0.00 1.11 0.00 0.00 32.58 32.69 2rm4 s HIS 78 CO 0.00 -0.29 -0.14 0.99 -0.85 0.00 0.00 174.74 174.45 2rm4 s THR 79 N -3.64 3.06 -1.12 1.30 2.01 -1.26 -4.05 115.64 111.94 2rm4 s THR 79 Ca 0.37 -0.75 -0.15 0.00 0.31 0.00 0.00 61.69 61.47 2rm4 s THR 79 Cb 0.08 -2.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 2rm4 s THR 79 CO 0.14 0.57 0.83 0.00 -0.69 0.00 0.00 174.62 175.48 2rm4 n ALA 80 N 2.25 -2.50 -1.41 7.40 0.00 -1.26 -4.97 120.51 120.02 2rm4 n ALA 80 Ca -0.17 -0.12 -0.30 0.00 0.00 0.00 0.00 53.44 52.86 2rm4 n ALA 80 Cb 0.52 -4.54 0.12 0.00 0.00 0.00 0.00 19.45 15.54 2rm4 n ALA 80 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2rm4 s PRO 81 N -5.48 1.63 0.56 0.00 0.04 -1.26 -4.99 135.00 125.50 2rm4 s PRO 81 Ca 0.44 0.66 -0.21 0.00 0.04 0.00 0.00 61.00 61.93 2rm4 s PRO 81 Cb -0.13 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2rm4 s PRO 81 CO 0.82 -1.94 1.35 -2.14 0.04 0.00 0.00 177.00 175.13 2rm4 s PRO 82 N -5.08 3.08 0.27 0.56 0.02 -1.26 -4.90 135.00 127.69 2rm4 s PRO 82 Ca 0.62 2.22 -0.30 0.00 0.02 0.00 0.00 61.00 63.56 2rm4 s PRO 82 Cb -0.16 -2.21 -0.11 0.00 0.02 0.00 0.00 34.50 32.04 2rm4 s PRO 82 CO 0.55 -1.23 1.61 -1.25 -0.33 0.00 0.00 177.00 176.35 2rm4 s PRO 83 N -2.96 4.13 0.37 5.54 0.04 -1.26 -4.90 135.00 135.96 2rm4 s PRO 83 Ca 0.73 2.57 0.20 0.00 0.04 0.00 0.00 61.00 64.53 2rm4 s PRO 83 Cb -0.40 -3.04 0.43 0.00 0.04 0.00 0.00 34.50 31.53 2rm4 s PRO 83 CO 0.47 -0.65 1.61 -0.39 0.04 0.00 0.00 177.00 178.09 2rm4 h VAL 84 N 3.48 0.59 -0.78 -0.36 -1.51 -2.02 -3.26 116.25 112.40 2rm4 h VAL 84 Ca -0.46 -1.60 0.00 0.00 -1.23 0.00 0.00 66.70 63.41 2rm4 h VAL 84 Cb 1.22 2.11 -0.04 0.00 -2.13 0.00 0.00 31.29 32.45 2rm4 h VAL 84 CO 0.82 0.30 0.50 0.58 -1.23 0.00 0.00 177.57 178.54 2rm4 h VAL 85 N 0.00 1.21 -3.78 7.19 2.07 -2.03 -3.42 116.25 117.50 2rm4 h VAL 85 Ca -0.00 -0.41 -0.50 0.00 0.82 0.00 0.00 66.70 66.61 2rm4 h VAL 85 Cb 1.08 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2rm4 h VAL 85 CO 0.04 0.21 0.40 0.20 0.02 0.00 0.00 177.57 178.44 2rm4 s ASN 86 N -6.34 7.48 0.38 0.57 0.02 -1.23 -5.00 114.94 110.82 2rm4 s ASN 86 Ca -0.11 2.09 -0.27 0.00 -1.02 0.00 0.00 52.86 53.55 2rm4 s ASN 86 Cb 0.18 -2.62 -0.09 0.00 0.02 0.00 0.00 41.25 38.74 2rm4 s ASN 86 CO 0.79 0.03 1.26 -0.75 0.02 0.00 0.00 177.10 178.45 2rm4 s LYS 87 N -1.30 4.12 0.46 -0.60 2.20 -1.26 -4.96 119.74 118.40 2rm4 s LYS 87 Ca 0.43 2.07 -0.25 0.00 -0.36 0.00 0.00 55.97 57.86 2rm4 s LYS 87 Cb -0.28 -2.84 -0.08 0.00 -1.51 0.00 0.00 37.83 33.12 2rm4 s LYS 87 CO 0.36 -0.34 1.37 -1.25 -0.36 0.00 0.00 175.35 175.13 2rm4 s PRO 88 N -2.10 3.64 0.52 4.03 0.04 -1.26 -4.97 135.00 134.90 2rm4 s PRO 88 Ca 0.54 2.29 -0.20 0.00 0.04 0.00 0.00 61.00 63.68 2rm4 s PRO 88 Cb -0.36 -2.58 -0.07 0.00 0.04 0.00 0.00 34.50 31.53 2rm4 s PRO 88 CO 0.47 -0.81 1.11 0.95 0.04 0.00 0.00 177.00 178.76 2rm4 s THR 89 N -1.25 3.31 0.53 1.26 -4.23 -1.26 -4.91 115.64 109.08 2rm4 s THR 89 Ca 0.62 0.83 0.20 0.00 -1.18 0.00 0.00 61.69 62.16 2rm4 s THR 89 Cb -0.41 -3.34 0.28 0.00 1.34 0.00 0.00 72.50 70.37 2rm4 s THR 89 CO 0.52 -0.16 2.16 1.55 -0.54 0.00 0.00 174.62 178.15 2rm4 h PRO 90 N 1.37 0.00 -0.71 3.99 0.13 -2.04 -1.72 132.00 133.02 2rm4 h PRO 90 Ca -0.50 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 2rm4 h PRO 90 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2rm4 h PRO 90 CO 0.58 0.02 0.24 0.28 -0.23 0.00 0.00 178.00 178.89 2rm4 h VAL 91 N 0.00 1.25 -3.44 1.56 2.07 -2.03 -3.41 116.25 112.25 2rm4 h VAL 91 Ca -0.00 -0.86 -0.54 0.00 0.82 0.00 0.00 66.70 66.12 2rm4 h VAL 91 Cb 0.04 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 2rm4 h VAL 91 CO 0.00 0.34 0.21 -0.75 0.02 0.00 0.00 177.57 177.39 2rm4 s LYS 92 N -5.45 4.53 -0.02 1.57 2.20 -0.65 -5.06 119.74 116.87 2rm4 s LYS 92 Ca -0.12 1.14 -0.03 0.00 -0.36 0.00 0.00 55.97 56.60 2rm4 s LYS 92 Cb 0.14 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 33.03 2rm4 s LYS 92 CO 0.83 0.19 0.18 -0.51 -0.36 0.00 0.00 175.35 175.68 2rm4 s LEU 93 N 0.24 4.37 0.74 5.43 1.43 -1.26 -4.66 118.68 124.97 2rm4 s LEU 93 Ca 0.42 0.36 -0.15 0.00 -1.03 0.00 0.00 54.13 53.73 2rm4 s LEU 93 Cb -0.21 -2.58 0.04 0.00 0.03 0.00 0.00 46.19 43.48 2rm4 s LEU 93 CO 0.24 0.27 1.22 -2.16 0.23 0.00 0.00 176.35 176.15 2rm4 s PRO 94 N -1.87 2.06 -0.18 1.29 0.04 -1.26 -5.00 135.00 130.08 2rm4 s PRO 94 Ca 0.26 1.79 -0.07 0.00 0.04 0.00 0.00 61.00 63.03 2rm4 s PRO 94 Cb -0.13 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2rm4 s PRO 94 CO 0.18 -1.90 0.04 -1.01 0.04 0.00 0.00 177.00 174.34 2rm4 s HIS 95 N -1.96 3.21 0.32 0.56 3.76 -1.26 -4.99 115.29 114.92 2rm4 s HIS 95 Ca 0.75 0.00 -0.00 0.00 -0.15 0.00 0.00 55.06 55.66 2rm4 s HIS 95 Cb -0.30 -2.05 0.51 0.00 1.11 0.00 0.00 32.58 31.85 2rm4 s HIS 95 CO 0.46 0.12 1.97 0.35 -0.85 0.00 0.00 174.74 176.79 2rm4 h PHE 96 N 6.67 0.93 -0.89 1.40 3.57 -2.05 -2.81 116.94 123.78 2rm4 h PHE 96 Ca -0.36 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.23 2rm4 h PHE 96 Cb 1.17 -0.31 -0.06 0.00 2.79 0.00 0.00 35.95 39.54 2rm4 h PHE 96 CO 0.55 0.60 0.58 0.77 -2.23 0.00 0.00 178.31 178.58 2rm4 h SER 97 N 1.00 0.85 -6.17 0.41 0.02 -2.04 -3.46 113.55 104.16 2rm4 h SER 97 Ca 0.27 0.01 -0.44 0.00 -0.84 0.00 0.00 61.79 60.79 2rm4 h SER 97 Cb -0.08 -0.17 0.03 0.00 0.14 0.00 0.00 62.40 62.32 2rm4 h SER 97 CO -0.05 0.53 -0.83 -3.20 -1.14 0.00 0.00 176.83 172.14 2rm4 n ASN 98 N -4.50 -1.41 -4.52 3.07 5.15 -1.06 -4.97 115.26 107.02 2rm4 n ASN 98 Ca 0.14 -0.84 -0.34 0.00 -0.60 0.00 0.00 54.58 52.94 2rm4 n ASN 98 Cb 0.24 -3.89 -0.12 0.00 -0.53 0.00 0.00 39.78 35.48 2rm4 n ASN 98 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2rm4 s ILE 99 N -3.67 3.68 0.35 -1.44 1.01 -1.26 -5.00 121.20 114.86 2rm4 s ILE 99 Ca 0.07 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.30 2rm4 s ILE 99 Cb -0.04 -2.55 0.22 0.00 0.01 0.00 0.00 42.46 40.10 2rm4 s ILE 99 CO 0.83 0.55 1.96 -0.07 0.00 0.00 0.00 174.94 178.20 2rm4 h LEU 100 N 6.01 0.62 0.00 2.97 3.38 -1.93 -3.51 115.31 122.84 2rm4 h LEU 100 Ca -0.39 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2rm4 h LEU 100 Cb 1.19 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2rm4 h LEU 100 CO 0.57 0.53 0.00 0.61 0.09 0.00 0.00 178.44 180.24