#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rm4 h ALA 0 N 0.00 1.60 -2.52 4.61 0.00 -2.08 -3.44 119.26 117.43 2rm4 h ALA 0 Ca 0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2rm4 h ALA 0 Cb 0.00 -0.13 -0.19 0.00 0.00 0.00 0.00 17.79 17.47 2rm4 h ALA 0 CO 0.00 0.31 -0.25 -1.64 0.00 0.00 0.00 179.25 177.67 2rm4 s MET 1 N -5.17 0.75 -0.93 0.00 1.00 -1.26 -4.97 119.30 108.71 2rm4 s MET 1 Ca -0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 55.69 55.26 2rm4 s MET 1 Cb 0.16 0.33 -0.04 0.00 0.00 0.00 0.00 34.83 35.28 2rm4 s MET 1 CO 0.74 -0.22 0.84 0.41 0.00 0.00 0.00 175.02 176.78 2rm4 n GLY 2 N 0.94 -1.19 3.72 -0.03 0.00 -1.26 -4.94 105.19 102.43 2rm4 n GLY 2 Ca -0.20 0.54 -0.35 0.00 0.00 0.00 0.00 46.02 46.01 2rm4 n GLY 2 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rm4 s PRO 3 N -3.88 2.17 -0.49 1.61 0.04 -1.26 -4.69 135.00 128.50 2rm4 s PRO 3 Ca 0.29 1.84 -0.21 0.00 0.04 0.00 0.00 61.00 62.96 2rm4 s PRO 3 Cb -0.04 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.71 2rm4 s PRO 3 CO 0.74 -1.83 0.74 0.95 0.04 0.00 0.00 177.00 177.64 2rm4 s THR 4 N -1.85 4.70 0.19 1.26 -4.23 -1.26 -4.89 115.64 109.56 2rm4 s THR 4 Ca 0.76 -0.01 -0.23 0.00 -1.18 0.00 0.00 61.69 61.03 2rm4 s THR 4 Cb -0.31 -4.34 0.07 0.00 1.34 0.00 0.00 72.50 69.25 2rm4 s THR 4 CO 0.44 -0.82 0.97 1.51 -0.54 0.00 0.00 174.62 176.18 2rm4 s ASP 5 N 2.48 -0.09 0.00 3.99 1.47 -1.26 -5.01 116.67 118.25 2rm4 s ASP 5 Ca 0.23 -0.58 0.21 0.00 1.18 0.00 0.00 52.55 53.59 2rm4 s ASP 5 Cb -0.15 0.53 1.14 0.00 -0.34 0.00 0.00 42.92 44.10 2rm4 s ASP 5 CO 0.17 -1.02 1.68 0.00 0.68 0.00 0.00 175.17 176.68 2rm4 n GLN 6 N -0.56 0.42 0.20 2.11 6.02 -1.26 -3.32 117.38 120.98 2rm4 n GLN 6 Ca -0.05 0.06 0.04 0.00 -0.01 0.00 0.00 57.00 57.04 2rm4 n GLN 6 Cb 0.60 -1.50 0.40 0.00 1.02 0.00 0.00 30.24 30.76 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 1.16 1.08 3.32 -1.94 -2.67 116.42 117.37 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 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2rm4 h ASP 7 CO 0.00 0.35 0.00 0.79 -1.72 0.00 0.00 179.24 178.66 2rm4 n TRP 8 N -3.93 0.70 -1.68 4.55 5.03 -1.21 -4.84 117.44 116.06 2rm4 n TRP 8 Ca -0.02 0.23 -0.45 0.00 3.03 0.00 0.00 57.50 60.29 2rm4 n TRP 8 Cb 0.41 -0.87 -0.04 0.00 -1.03 0.00 0.00 31.31 29.78 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 0.06 -0.72 -0.99 2.08 -1.01 -0.14 119.36 116.55 2rm4 n ILE 9 Ca 0.05 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.34 2rm4 n ILE 9 Cb 0.35 -1.65 0.00 0.00 -0.75 0.00 0.00 39.64 37.59 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 3.47 0.97 3.86 7.39 0.00 0.30 -4.97 105.19 116.21 2rm4 n GLY 10 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.62 3.54 0.08 0.00 0.00 -1.03 -1.99 121.76 119.75 2rm4 s ALA 12 Ca 0.56 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.71 2rm4 s ALA 12 Cb -0.10 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 2rm4 s ALA 12 CO 0.34 -0.86 -0.08 0.14 0.00 0.00 0.00 175.76 175.30 2rm4 s VAL 13 N 2.23 0.67 -0.04 0.00 -7.23 -1.06 -0.40 120.40 114.57 2rm4 s VAL 13 Ca 0.18 -1.54 0.06 0.00 -1.81 0.00 0.00 61.98 58.87 2rm4 s VAL 13 Cb -0.16 -1.20 -0.02 0.00 0.56 0.00 0.00 36.38 35.57 2rm4 s VAL 13 CO 0.11 -0.62 -0.22 -0.55 -0.31 0.00 0.00 175.10 173.50 2rm4 s SER 14 N -2.35 3.35 -0.14 4.85 0.15 -0.28 -2.46 113.70 116.82 2rm4 s SER 14 Ca 0.02 -0.40 0.02 0.00 0.70 0.00 0.00 55.95 56.29 2rm4 s SER 14 Cb -0.02 -0.57 0.01 0.00 -1.71 0.00 0.00 66.02 63.73 2rm4 s SER 14 CO -0.02 0.31 -0.20 -0.63 1.20 0.00 0.00 173.24 173.90 2rm4 s ILE 15 N -0.57 1.94 -0.42 6.45 -1.09 -0.40 -1.93 121.20 125.19 2rm4 s ILE 15 Ca 0.08 -0.90 -0.16 0.00 -2.23 0.00 0.00 60.65 57.45 2rm4 s ILE 15 Cb -0.11 -1.73 0.02 0.00 -1.58 0.00 0.00 42.46 39.06 2rm4 s ILE 15 CO 0.00 0.53 0.36 0.00 -1.23 0.00 0.00 174.94 174.60 2rm4 s ALA 16 N 0.97 3.46 0.40 9.38 0.00 -0.67 -2.56 121.76 132.74 2rm4 s ALA 16 Ca -0.04 -1.64 0.06 0.00 0.00 0.00 0.00 51.96 50.34 2rm4 s ALA 16 Cb -0.15 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.01 2rm4 s ALA 16 CO -0.05 -1.52 0.56 0.00 0.00 0.00 0.00 175.76 174.75 2rm4 n ASP 18 N -1.83 -1.89 -0.14 0.00 8.00 -1.16 -4.23 116.55 115.30 2rm4 n ASP 18 Ca 0.03 -0.10 0.15 0.00 0.71 0.00 0.00 54.79 55.57 2rm4 n ASP 18 Cb 0.58 -1.16 0.51 0.00 -0.02 0.00 0.00 41.12 41.03 2rm4 n ASP 18 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2rm4 h GLU 19 N -2.40 0.40 0.00 -1.24 4.39 -1.95 0.11 114.58 113.88 2rm4 h GLU 19 Ca -0.57 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.02 2rm4 h GLU 19 Cb 1.34 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 2rm4 h GLU 19 CO 0.44 0.26 -0.37 0.28 -1.16 0.00 0.00 179.01 178.46 2rm4 h VAL 20 N 0.41 0.82 0.00 3.13 2.07 -2.00 -2.95 116.25 117.72 2rm4 h VAL 20 Ca 0.34 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.27 2rm4 h VAL 20 Cb 0.77 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 2rm4 h VAL 20 CO -0.10 0.37 -1.01 0.18 0.02 0.00 0.00 177.57 177.02 2rm4 n LEU 21 N -3.44 0.80 0.00 2.57 4.77 0.30 -5.05 117.00 116.96 2rm4 n LEU 21 Ca 0.00 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2rm4 n LEU 21 Cb 0.54 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2rm4 n LEU 21 CO 0.37 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 2rm4 n GLY 22 N 1.20 1.17 3.05 -0.72 0.00 -0.82 -4.80 105.19 104.27 2rm4 n GLY 22 Ca 0.00 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.17 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 0.82 0.13 1.61 1.01 -1.26 -1.89 120.40 120.82 2rm4 s VAL 23 Ca 0.00 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.56 2rm4 s VAL 23 Cb 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 2rm4 s VAL 23 CO 0.00 0.22 -0.10 0.72 0.00 0.00 0.00 175.10 175.94 2rm4 s PHE 24 N -0.27 1.18 0.01 5.22 -0.12 -1.06 -2.30 117.98 120.64 2rm4 s PHE 24 Ca 0.04 -0.76 0.01 0.00 -0.05 0.00 0.00 56.93 56.17 2rm4 s PHE 24 Cb -0.04 -0.62 -0.01 0.00 -0.63 0.00 0.00 43.02 41.72 2rm4 s PHE 24 CO -0.00 0.04 -0.04 -0.65 -0.05 0.00 0.00 175.22 174.51 2rm4 s GLN 25 N -3.61 0.34 -0.04 1.99 -0.21 -0.14 -1.28 119.66 116.72 2rm4 s GLN 25 Ca 0.14 -0.34 -0.31 0.00 0.02 0.00 0.00 55.36 54.87 2rm4 s GLN 25 Cb 0.02 -0.22 0.13 0.00 1.00 0.00 0.00 33.01 33.94 2rm4 s GLN 25 CO -0.00 0.05 1.31 0.20 -2.12 0.00 0.00 175.29 174.72 2rm4 s GLY 26 N -0.62 -0.42 -0.02 3.09 0.00 -1.03 -1.91 107.32 106.41 2rm4 s GLY 26 Ca -0.04 0.79 -0.19 0.00 0.00 0.00 0.00 44.72 45.27 2rm4 s GLY 26 CO -0.00 0.15 0.55 1.08 0.00 0.00 0.00 173.10 174.88 2rm4 s LEU 27 N -2.94 4.40 0.27 0.66 1.43 -1.25 -2.58 118.68 118.67 2rm4 s LEU 27 Ca 0.14 1.07 -0.29 0.00 -1.03 0.00 0.00 54.13 54.02 2rm4 s LEU 27 Cb 0.05 -2.84 -0.10 0.00 0.03 0.00 0.00 46.19 43.34 2rm4 s LEU 27 CO -0.04 0.11 1.32 -0.63 0.23 0.00 0.00 176.35 177.33 2rm4 s ILE 28 N -0.15 2.94 -0.09 -0.59 1.01 -0.84 -2.21 121.20 121.27 2rm4 s ILE 28 Ca 0.29 0.85 0.10 0.00 0.00 0.00 0.00 60.65 61.89 2rm4 s ILE 28 Cb -0.17 -3.54 -0.15 0.00 0.01 0.00 0.00 42.46 38.61 2rm4 s ILE 28 CO 0.15 0.16 0.09 1.17 0.00 0.00 0.00 174.94 176.52 2rm4 n LYS 29 N 1.75 1.76 -3.72 2.79 4.81 -0.51 0.11 118.16 125.15 2rm4 n LYS 29 Ca 0.03 -0.03 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 2rm4 n LYS 29 Cb 0.42 -1.28 -0.08 0.00 0.02 0.00 0.00 35.03 34.10 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 -2.40 0.69 0.00 1.64 -0.21 -1.09 -4.76 119.66 113.53 2rm4 s GLN 30 Ca -0.05 -0.02 0.00 0.00 0.02 0.00 0.00 55.36 55.31 2rm4 s GLN 30 Cb 0.04 0.31 -0.00 0.00 1.00 0.00 0.00 33.01 34.36 2rm4 s GLN 30 CO 0.46 -0.18 -0.01 0.42 -2.12 0.00 0.00 175.29 173.86 2rm4 s ILE 31 N -1.08 0.02 0.07 1.08 1.01 -1.26 -1.49 121.20 119.55 2rm4 s ILE 31 Ca -0.11 -0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.30 2rm4 s ILE 31 Cb -0.04 -0.06 -0.01 0.00 0.01 0.00 0.00 42.46 42.36 2rm4 s ILE 31 CO 0.04 -0.08 0.16 -0.94 0.00 0.00 0.00 174.94 174.12 2rm4 s SER 32 N -0.25 0.16 0.61 3.58 1.04 -0.72 -4.94 113.70 113.18 2rm4 s SER 32 Ca -0.03 -0.64 0.30 0.00 0.48 0.00 0.00 55.95 56.06 2rm4 s SER 32 Cb -0.02 0.31 1.68 0.00 0.10 0.00 0.00 66.02 68.08 2rm4 s SER 32 CO -0.00 -0.67 2.04 0.00 0.98 0.00 0.00 173.24 175.59 2rm4 h ALA 33 N 2.98 1.72 0.00 5.32 0.00 -2.01 -1.46 119.26 125.80 2rm4 h ALA 33 Ca -0.34 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.37 2rm4 h ALA 33 Cb 1.19 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2rm4 h ALA 33 CO 0.56 -0.38 -1.72 0.39 0.00 0.00 0.00 179.25 178.10 2rm4 n GLU 34 N -3.52 0.64 -3.55 0.00 1.02 -1.26 -4.88 120.64 109.10 2rm4 n GLU 34 Ca 0.02 0.12 -0.12 0.00 -0.02 0.00 0.00 57.16 57.16 2rm4 n GLU 34 Cb 0.39 -1.71 -0.04 0.00 -0.02 0.00 0.00 31.44 30.07 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 -2.89 1.14 0.00 3.49 -1.05 -0.55 -2.25 118.70 116.58 2rm4 s GLU 35 Ca -0.05 -0.53 0.07 0.00 -0.15 0.00 0.00 54.97 54.31 2rm4 s GLU 35 Cb 0.09 0.51 -0.03 0.00 -0.44 0.00 0.00 34.13 34.27 2rm4 s GLU 35 CO 0.83 -0.46 -0.22 0.42 0.95 0.00 0.00 175.26 176.78 2rm4 s ILE 36 N -3.53 2.43 -0.06 1.83 -1.09 -1.00 -1.76 121.20 118.02 2rm4 s ILE 36 Ca 0.01 -1.12 0.03 0.00 -2.23 0.00 0.00 60.65 57.34 2rm4 s ILE 36 Cb 0.00 -1.93 0.00 0.00 -1.58 0.00 0.00 42.46 38.96 2rm4 s ILE 36 CO -0.10 0.48 -0.16 -0.89 -1.23 0.00 0.00 174.94 173.03 2rm4 s THR 37 N -0.75 1.43 0.30 2.92 2.01 -0.56 -2.44 115.64 118.54 2rm4 s THR 37 Ca 0.12 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.47 2rm4 s THR 37 Cb -0.10 -1.26 -0.05 0.00 0.01 0.00 0.00 72.50 71.09 2rm4 s THR 37 CO 0.01 0.42 0.08 0.27 -0.69 0.00 0.00 174.62 174.72 2rm4 s ILE 38 N 0.38 0.82 0.21 1.82 -4.36 -0.80 -1.42 121.20 117.84 2rm4 s ILE 38 Ca -0.12 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.32 2rm4 s ILE 38 Cb -0.15 -2.69 -0.05 0.00 1.25 0.00 0.00 42.46 40.83 2rm4 s ILE 38 CO 0.04 0.00 -0.05 0.68 0.24 0.00 0.00 174.94 175.85 2rm4 s VAL 39 N -3.53 1.20 -1.33 8.37 -7.23 -0.94 -2.35 120.40 114.59 2rm4 s VAL 39 Ca 0.37 -2.07 -0.03 0.00 -1.81 0.00 0.00 61.98 58.44 2rm4 s VAL 39 Cb 0.08 -2.17 0.01 0.00 0.56 0.00 0.00 36.38 34.87 2rm4 s VAL 39 CO 0.15 -0.48 0.80 0.54 -0.31 0.00 0.00 175.10 175.79 2rm4 n ARG 40 N -0.36 -5.36 -2.21 4.82 5.12 -1.24 -3.90 116.66 113.53 2rm4 n ARG 40 Ca -0.07 0.65 -0.41 0.00 -1.93 0.00 0.00 57.85 56.10 2rm4 n ARG 40 Cb 0.62 -5.34 -0.03 0.00 -1.16 0.00 0.00 32.46 26.56 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 -3.56 3.48 -0.01 7.54 0.00 -1.26 -4.80 121.76 123.15 2rm4 s ALA 41 Ca 0.13 1.16 0.05 0.00 0.00 0.00 0.00 51.96 53.30 2rm4 s ALA 41 Cb -0.06 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 2rm4 s ALA 41 CO 0.80 -0.51 -0.17 -0.06 0.00 0.00 0.00 175.76 175.81 2rm4 s PHE 42 N -0.94 2.59 0.01 0.00 0.40 -0.80 -3.18 117.98 116.07 2rm4 s PHE 42 Ca 0.49 -0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.61 2rm4 s PHE 42 Cb -0.37 -1.55 -0.01 0.00 0.51 0.00 0.00 43.02 41.59 2rm4 s PHE 42 CO 0.48 0.17 -0.08 0.50 0.70 0.00 0.00 175.22 176.99 2rm4 s ARG 43 N -0.95 0.56 -1.53 0.44 3.52 -0.15 -0.96 118.95 119.88 2rm4 s ARG 43 Ca 0.12 -0.44 -0.13 0.00 -0.13 0.00 0.00 55.73 55.15 2rm4 s ARG 43 Cb -0.10 -0.48 0.08 0.00 -1.56 0.00 0.00 34.95 32.88 2rm4 s ARG 43 CO 0.02 0.12 0.97 0.09 -0.81 0.00 0.00 175.30 175.69 2rm4 n ASN 44 N 2.37 -4.60 -1.61 -2.12 5.03 -0.97 -1.24 115.26 112.11 2rm4 n ASN 44 Ca -0.16 -0.79 -0.19 0.00 0.87 0.00 0.00 54.58 54.30 2rm4 n ASN 44 Cb 0.57 -3.85 -0.07 0.00 -1.02 0.00 0.00 39.78 35.41 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 -1.68 1.38 3.14 7.41 0.00 -1.26 -4.96 105.19 109.21 2rm4 n GLY 45 Ca 0.03 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 0.09 0.53 1.61 1.01 -0.38 -5.15 120.40 115.36 2rm4 s VAL 46 Ca 0.00 -0.74 -0.20 0.00 0.00 0.00 0.00 61.98 61.04 2rm4 s VAL 46 Cb 0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 36.38 35.75 2rm4 s VAL 46 CO 0.00 -0.41 1.18 -2.84 0.00 0.00 0.00 175.10 173.04 2rm4 s PRO 47 N -1.69 3.34 0.57 2.72 0.02 -1.26 -0.98 135.00 137.72 2rm4 s PRO 47 Ca -0.12 1.78 -0.16 0.00 0.02 0.00 0.00 61.00 62.52 2rm4 s PRO 47 Cb -0.06 -2.12 -0.05 0.00 0.02 0.00 0.00 34.50 32.29 2rm4 s PRO 47 CO 0.00 -0.90 1.04 -0.51 -0.33 0.00 0.00 177.00 176.30 2rm4 s LEU 48 N -3.63 3.54 0.33 -5.54 1.43 -1.19 -4.77 118.68 108.85 2rm4 s LEU 48 Ca 0.71 1.75 0.05 0.00 -1.03 0.00 0.00 54.13 55.61 2rm4 s LEU 48 Cb -0.29 -4.53 0.70 0.00 0.03 0.00 0.00 46.19 42.11 2rm4 s LEU 48 CO 0.33 -0.99 1.87 -0.09 0.23 0.00 0.00 176.35 177.71 2rm4 h ARG 49 N 0.60 0.80 -4.30 1.70 9.65 -1.94 -3.33 114.38 117.57 2rm4 h ARG 49 Ca -0.47 -0.05 -0.74 0.00 -1.10 0.00 0.00 59.98 57.62 2rm4 h ARG 49 Cb 1.21 -0.18 -0.22 0.00 -1.39 0.00 0.00 29.97 29.38 2rm4 h ARG 49 CO 0.59 0.53 -0.29 0.15 2.80 0.00 0.00 179.97 183.75 2rm4 s LYS 50 N -5.78 2.99 0.33 0.20 1.02 -1.26 -4.93 119.74 112.31 2rm4 s LYS 50 Ca -0.11 -1.39 0.02 0.00 0.02 0.00 0.00 55.97 54.51 2rm4 s LYS 50 Cb 0.22 -4.16 0.58 0.00 -0.52 0.00 0.00 37.83 33.95 2rm4 s LYS 50 CO 0.79 -1.09 1.92 1.96 -0.92 0.00 0.00 175.35 178.01 2rm4 h GLN 51 N 8.79 0.71 -0.06 1.68 4.20 -1.94 -2.14 115.11 126.35 2rm4 h GLN 51 Ca -0.29 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.32 2rm4 h GLN 51 Cb 1.11 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.76 2rm4 h GLN 51 CO 0.91 0.59 0.00 0.27 -0.67 0.00 0.00 178.83 179.93 2rm4 n ASN 52 N -4.35 1.09 -4.74 1.46 6.94 -1.26 -3.67 115.26 110.73 2rm4 n ASN 52 Ca 0.04 -1.48 -0.41 0.00 -0.02 0.00 0.00 54.58 52.71 2rm4 n ASN 52 Cb 0.16 -0.04 -0.04 0.00 -2.36 0.00 0.00 39.78 37.50 2rm4 n ASN 52 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2rm4 s ALA 53 N -1.93 3.40 0.07 -2.53 0.00 -0.81 -4.85 121.76 115.12 2rm4 s ALA 53 Ca 0.36 0.88 -0.19 0.00 0.00 0.00 0.00 51.96 53.02 2rm4 s ALA 53 Cb 0.19 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.87 2rm4 s ALA 53 CO 0.30 -0.27 0.55 -1.83 0.00 0.00 0.00 175.76 174.50 2rm4 s GLU 54 N -0.44 4.16 -0.24 0.00 -1.05 -1.26 -4.22 118.70 115.65 2rm4 s GLU 54 Ca 0.50 0.69 -0.07 0.00 -0.15 0.00 0.00 54.97 55.95 2rm4 s GLU 54 Cb -0.31 -3.22 -0.03 0.00 -0.44 0.00 0.00 34.13 30.13 2rm4 s GLU 54 CO 0.36 0.64 0.05 0.08 0.95 0.00 0.00 175.26 177.34 2rm4 s VAL 55 N -1.12 4.19 -0.20 1.83 1.01 -0.99 -5.00 120.40 120.12 2rm4 s VAL 55 Ca 0.29 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.06 2rm4 s VAL 55 Cb -0.19 -2.95 0.04 0.00 0.00 0.00 0.00 36.38 33.29 2rm4 s VAL 55 CO 0.18 0.36 -0.11 -0.69 0.00 0.00 0.00 175.10 174.84 2rm4 s VAL 56 N 1.49 1.72 -0.03 2.92 1.01 -1.26 -1.90 120.40 124.35 2rm4 s VAL 56 Ca 0.06 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 61.04 2rm4 s VAL 56 Cb -0.15 -1.77 -0.00 0.00 0.00 0.00 0.00 36.38 34.46 2rm4 s VAL 56 CO 0.03 0.20 -0.14 -0.76 0.00 0.00 0.00 175.10 174.42 2rm4 s LEU 57 N 1.37 1.92 0.44 3.92 1.43 -1.02 -4.99 118.68 121.75 2rm4 s LEU 57 Ca -0.01 -0.28 -0.22 0.00 -1.03 0.00 0.00 54.13 52.59 2rm4 s LEU 57 Cb -0.16 -0.78 -0.08 0.00 0.03 0.00 0.00 46.19 45.19 2rm4 s LEU 57 CO -0.08 0.14 1.06 -0.75 0.23 0.00 0.00 176.35 176.95 2rm4 s LYS 58 N -0.07 3.95 0.49 1.70 2.47 -1.26 -2.37 119.74 124.65 2rm4 s LYS 58 Ca 0.00 1.49 0.22 0.00 -1.56 0.00 0.00 55.97 56.11 2rm4 s LYS 58 Cb -0.09 -2.34 1.26 0.00 -1.46 0.00 0.00 37.83 35.21 2rm4 s LYS 58 CO 0.01 -0.32 1.96 0.00 0.16 0.00 0.00 175.35 177.16 2rm4 h THR 60 N 0.17 1.23 0.00 0.00 1.35 -1.91 -2.68 112.91 111.06 2rm4 h THR 60 Ca 0.30 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2rm4 h THR 60 Cb 0.97 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 2rm4 h THR 60 CO -0.05 0.32 -0.63 -0.90 -0.25 0.00 0.00 175.52 174.01 2rm4 n ASP 61 N -4.24 0.58 -4.76 5.36 5.68 -1.01 -4.83 116.55 113.33 2rm4 n ASP 61 Ca 0.02 -0.23 -0.40 0.00 -0.50 0.00 0.00 54.79 53.69 2rm4 n ASP 61 Cb 0.27 0.36 -0.05 0.00 -1.14 0.00 0.00 41.12 40.56 2rm4 n ASP 61 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 2rm4 s ILE 62 N -3.06 4.52 -0.19 2.12 1.01 -1.01 -2.99 121.20 121.60 2rm4 s ILE 62 Ca 0.09 1.74 0.16 0.00 0.00 0.00 0.00 60.65 62.64 2rm4 s ILE 62 Cb 0.16 -4.16 -0.24 0.00 0.01 0.00 0.00 42.46 38.23 2rm4 s ILE 62 CO 0.73 0.43 0.10 0.54 0.00 0.00 0.00 174.94 176.74 2rm4 n ARG 63 N 2.26 0.68 -3.49 2.79 5.12 -0.60 -4.94 116.66 118.48 2rm4 n ARG 63 Ca -0.03 0.03 -0.16 0.00 -1.93 0.00 0.00 57.85 55.76 2rm4 n ARG 63 Cb 0.49 -1.54 -0.05 0.00 -1.16 0.00 0.00 32.46 30.20 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 -5.61 -0.61 0.01 0.55 0.01 -1.13 -5.04 113.70 101.88 2rm4 s SER 64 Ca -0.11 0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.57 2rm4 s SER 64 Cb 0.06 0.56 -0.01 0.00 0.21 0.00 0.00 66.02 66.84 2rm4 s SER 64 CO 0.81 -0.75 -0.02 -0.63 0.41 0.00 0.00 173.24 173.07 2rm4 s ILE 65 N -2.20 0.10 -0.05 1.44 1.01 -1.26 -1.67 121.20 118.57 2rm4 s ILE 65 Ca -0.06 -0.44 -0.02 0.00 0.00 0.00 0.00 60.65 60.13 2rm4 s ILE 65 Cb -0.00 -0.17 0.03 0.00 0.01 0.00 0.00 42.46 42.33 2rm4 s ILE 65 CO 0.01 -0.21 0.04 1.51 0.00 0.00 0.00 174.94 176.29 2rm4 s ASP 66 N -0.68 1.29 -0.35 3.58 -4.77 -0.81 -5.00 116.67 109.92 2rm4 s ASP 66 Ca -0.07 0.02 -0.29 0.00 -3.30 0.00 0.00 52.55 48.92 2rm4 s ASP 66 Cb -0.05 -0.23 0.01 0.00 -1.09 0.00 0.00 42.92 41.56 2rm4 s ASP 66 CO -0.00 -0.23 1.24 -0.76 0.70 0.00 0.00 175.17 176.11 2rm4 s LEU 67 N 2.11 3.81 0.13 2.11 1.02 -1.26 -1.12 118.68 125.47 2rm4 s LEU 67 Ca 0.05 0.99 -0.08 0.00 0.02 0.00 0.00 54.13 55.10 2rm4 s LEU 67 Cb -0.12 -3.54 -0.08 0.00 0.02 0.00 0.00 46.19 42.47 2rm4 s LEU 67 CO -0.04 -1.12 1.35 0.40 0.02 0.00 0.00 176.35 176.96 2rm4 h ILE 68 N 6.03 1.32 -2.79 -0.59 2.04 -1.06 -3.40 117.51 119.05 2rm4 h ILE 68 Ca -0.25 -2.06 -0.59 0.00 1.00 0.00 0.00 64.86 62.97 2rm4 h ILE 68 Cb 1.08 2.06 -0.40 0.00 -0.74 0.00 0.00 36.82 38.82 2rm4 h ILE 68 CO 1.06 0.64 -0.80 -1.61 0.00 0.00 0.00 178.15 177.44 2rm4 s GLU 69 N -3.67 0.77 0.45 2.37 2.02 -1.00 -4.98 118.70 114.66 2rm4 s GLU 69 Ca -0.08 -1.44 0.15 0.00 0.02 0.00 0.00 54.97 53.62 2rm4 s GLU 69 Cb 0.09 -1.69 1.02 0.00 0.10 0.00 0.00 34.13 33.65 2rm4 s GLU 69 CO 0.88 -1.15 1.99 -1.35 0.02 0.00 0.00 175.26 175.65 2rm4 h PRO 70 N 7.17 0.00 -6.83 0.39 0.11 -1.82 -2.72 132.00 128.31 2rm4 h PRO 70 Ca -0.01 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.59 2rm4 h PRO 70 Cb 0.96 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.12 2rm4 h PRO 70 CO 0.37 0.19 0.58 0.00 -0.21 0.00 0.00 178.00 178.93 2rm4 s ALA 71 N -4.58 3.47 0.40 -0.75 0.00 -1.26 -4.83 121.76 114.21 2rm4 s ALA 71 Ca -0.04 1.11 0.07 0.00 0.00 0.00 0.00 51.96 53.10 2rm4 s ALA 71 Cb 0.15 -3.43 0.83 0.00 0.00 0.00 0.00 23.12 20.67 2rm4 s ALA 71 CO 0.69 -0.46 2.04 0.87 0.00 0.00 0.00 175.76 178.90 2rm4 h LYS 72 N 3.81 0.55 -4.35 0.00 1.57 -1.89 -3.44 116.57 112.81 2rm4 h LYS 72 Ca -0.48 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.09 2rm4 h LYS 72 Cb 1.22 -0.12 -0.15 0.00 0.08 0.00 0.00 32.23 33.26 2rm4 h LYS 72 CO 0.68 0.38 -0.61 1.14 -0.57 0.00 0.00 179.45 180.47 2rm4 s GLN 73 N -5.45 0.92 0.46 3.15 -2.07 -1.26 -4.97 119.66 110.44 2rm4 s GLN 73 Ca -0.08 -1.39 -0.24 0.00 -1.82 0.00 0.00 55.36 51.83 2rm4 s GLN 73 Cb 0.17 0.25 -0.07 0.00 -1.09 0.00 0.00 33.01 32.27 2rm4 s GLN 73 CO 0.74 -0.26 1.32 -0.51 -1.32 0.00 0.00 175.29 175.25 2rm4 s ASP 74 N -3.03 5.96 0.07 12.60 1.01 -1.26 -4.99 116.67 127.03 2rm4 s ASP 74 Ca 0.22 2.68 -0.16 0.00 0.71 0.00 0.00 52.55 55.99 2rm4 s ASP 74 Cb 0.07 -2.64 -0.06 0.00 1.01 0.00 0.00 42.92 41.30 2rm4 s ASP 74 CO 0.00 -1.09 0.51 -0.76 0.21 0.00 0.00 175.17 174.04 2rm4 s LEU 75 N -2.83 4.46 0.33 1.23 1.43 -1.26 -4.97 118.68 117.07 2rm4 s LEU 75 Ca 0.62 1.11 0.02 0.00 -1.03 0.00 0.00 54.13 54.85 2rm4 s LEU 75 Cb -0.38 -2.89 0.60 0.00 0.03 0.00 0.00 46.19 43.55 2rm4 s LEU 75 CO 0.48 0.25 1.97 -0.78 0.23 0.00 0.00 176.35 178.50 2rm4 h ASP 76 N 4.32 0.79 -3.11 2.29 1.82 -2.09 -3.43 116.42 117.02 2rm4 h ASP 76 Ca -0.50 -0.01 -0.46 0.00 -0.39 0.00 0.00 57.03 55.67 2rm4 h ASP 76 Cb 1.21 -0.18 0.13 0.00 0.68 0.00 0.00 39.33 41.17 2rm4 h ASP 76 CO 0.63 0.55 0.29 -0.83 -1.61 0.00 0.00 179.24 178.28 2rm4 s GLY 77 N -3.44 1.78 0.07 -0.78 0.00 -1.26 -5.11 107.32 98.58 2rm4 s GLY 77 Ca -0.11 -1.51 0.05 0.00 0.00 0.00 0.00 44.72 43.15 2rm4 s GLY 77 CO 0.78 -0.79 -0.15 0.30 0.00 0.00 0.00 173.10 173.23 2rm4 s HIS 78 N -3.61 1.30 -0.03 1.90 3.76 -1.26 -5.15 115.29 112.20 2rm4 s HIS 78 Ca 0.72 -0.42 0.07 0.00 -0.15 0.00 0.00 55.06 55.28 2rm4 s HIS 78 Cb -0.04 -0.74 -0.01 0.00 1.11 0.00 0.00 32.58 32.90 2rm4 s HIS 78 CO 0.50 0.07 -0.24 0.99 -0.85 0.00 0.00 174.74 175.21 2rm4 s THR 79 N -1.13 1.91 -0.58 1.30 2.01 -1.26 -5.08 115.64 112.81 2rm4 s THR 79 Ca 0.00 -1.02 0.05 0.00 0.31 0.00 0.00 61.69 61.04 2rm4 s THR 79 Cb -0.09 -1.60 0.19 0.00 0.01 0.00 0.00 72.50 71.01 2rm4 s THR 79 CO 0.02 0.54 0.51 0.00 -0.69 0.00 0.00 174.62 175.00 2rm4 n ALA 80 N 2.68 3.29 -1.76 7.40 0.00 -1.26 -5.10 120.51 125.75 2rm4 n ALA 80 Ca -0.16 -4.08 -0.39 0.00 0.00 0.00 0.00 53.44 48.81 2rm4 n ALA 80 Cb 0.52 -0.91 0.02 0.00 0.00 0.00 0.00 19.45 19.08 2rm4 n ALA 80 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2rm4 s PRO 81 N -1.24 3.54 -0.29 0.00 0.02 -1.26 -4.89 135.00 130.88 2rm4 s PRO 81 Ca 0.31 2.31 -0.28 0.00 0.02 0.00 0.00 61.00 63.35 2rm4 s PRO 81 Cb 0.04 -2.52 -0.02 0.00 0.02 0.00 0.00 34.50 32.01 2rm4 s PRO 81 CO -0.14 -0.90 1.82 -1.25 -0.33 0.00 0.00 177.00 176.20 2rm4 s PRO 82 N -2.59 3.41 0.36 5.54 0.04 -1.26 -4.95 135.00 135.55 2rm4 s PRO 82 Ca 0.64 1.58 -0.28 0.00 0.04 0.00 0.00 61.00 62.97 2rm4 s PRO 82 Cb -0.41 -4.19 -0.11 0.00 0.04 0.00 0.00 34.50 29.83 2rm4 s PRO 82 CO 0.52 -1.76 1.42 -1.25 0.04 0.00 0.00 177.00 175.97 2rm4 s PRO 83 N 5.53 4.20 -0.06 0.56 0.04 -1.26 -5.02 135.00 138.99 2rm4 s PRO 83 Ca 0.81 2.44 0.04 0.00 0.04 0.00 0.00 61.00 64.34 2rm4 s PRO 83 Cb -0.25 -3.01 -0.00 0.00 0.04 0.00 0.00 34.50 31.29 2rm4 s PRO 83 CO 0.33 -0.41 -0.19 0.08 0.04 0.00 0.00 177.00 176.85 2rm4 s VAL 84 N -1.10 1.60 -0.08 -0.36 1.01 -1.26 -5.13 120.40 115.09 2rm4 s VAL 84 Ca 0.52 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.74 2rm4 s VAL 84 Cb -0.44 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.55 2rm4 s VAL 84 CO 0.59 0.46 -0.21 -0.69 0.00 0.00 0.00 175.10 175.25 2rm4 s VAL 85 N 0.17 1.81 0.27 2.92 1.01 -1.26 -5.13 120.40 120.20 2rm4 s VAL 85 Ca -0.09 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 60.89 2rm4 s VAL 85 Cb -0.14 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.67 2rm4 s VAL 85 CO 0.04 0.51 0.51 0.54 0.00 0.00 0.00 175.10 176.70 2rm4 s ASN 86 N 0.29 0.05 0.27 3.32 2.20 -1.26 -5.14 114.94 114.67 2rm4 s ASN 86 Ca -0.14 -1.01 0.00 0.00 -0.94 0.00 0.00 52.86 50.77 2rm4 s ASN 86 Cb -0.16 0.63 0.00 0.00 -2.00 0.00 0.00 41.25 39.71 2rm4 s ASN 86 CO 0.06 -1.22 0.00 0.29 -2.94 0.00 0.00 177.10 173.30 2rm4 n LYS 87 N -0.42 -2.10 -1.42 3.55 5.02 -1.26 -4.72 118.16 116.81 2rm4 n LYS 87 Ca -0.02 1.44 -0.35 0.00 -2.02 0.00 0.00 58.31 57.36 2rm4 n LYS 87 Cb 0.62 -2.59 0.10 0.00 -0.02 0.00 0.00 35.03 33.13 2rm4 n LYS 87 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2rm4 n PRO 88 N -3.27 0.65 -2.18 1.97 -0.02 -1.26 -4.94 135.00 125.95 2rm4 n PRO 88 Ca -0.00 0.29 -0.39 0.00 -2.02 0.00 0.00 63.50 61.37 2rm4 n PRO 88 Cb 0.62 -2.46 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 2rm4 n PRO 88 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2rm4 s THR 89 N -1.74 2.90 0.55 3.45 -4.23 -1.26 -4.90 115.64 110.41 2rm4 s THR 89 Ca 0.78 0.79 0.29 0.00 -1.18 0.00 0.00 61.69 62.37 2rm4 s THR 89 Cb -0.34 -3.46 0.34 0.00 1.34 0.00 0.00 72.50 70.38 2rm4 s THR 89 CO 0.46 0.10 2.21 1.55 -0.54 0.00 0.00 174.62 178.41 2rm4 h PRO 90 N 2.74 0.00 -5.62 3.99 0.13 -1.94 -3.41 132.00 127.89 2rm4 h PRO 90 Ca -0.49 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.98 2rm4 h PRO 90 Cb 1.24 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.18 2rm4 h PRO 90 CO 0.63 0.03 -0.66 0.08 -0.23 0.00 0.00 178.00 177.85 2rm4 s VAL 91 N -4.52 3.98 0.13 1.56 1.01 -1.26 -5.11 120.40 116.20 2rm4 s VAL 91 Ca -0.04 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.62 2rm4 s VAL 91 Cb 0.15 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 2rm4 s VAL 91 CO 0.55 0.54 0.23 -0.54 0.00 0.00 0.00 175.10 175.88 2rm4 s LYS 92 N -0.16 3.29 0.71 2.72 1.02 -1.26 -5.09 119.74 120.97 2rm4 s LYS 92 Ca 0.03 -0.63 -0.14 0.00 0.02 0.00 0.00 55.97 55.25 2rm4 s LYS 92 Cb -0.13 -2.90 0.03 0.00 -0.52 0.00 0.00 37.83 34.32 2rm4 s LYS 92 CO 0.02 0.53 1.14 -0.48 -0.92 0.00 0.00 175.35 175.65 2rm4 s LEU 93 N -3.02 3.28 0.28 3.17 0.05 -1.26 -4.92 118.68 116.27 2rm4 s LEU 93 Ca 0.33 2.11 -0.30 0.00 0.05 0.00 0.00 54.13 56.33 2rm4 s LEU 93 Cb -0.11 -4.56 -0.11 0.00 -2.05 0.00 0.00 46.19 39.35 2rm4 s LEU 93 CO 0.27 -2.00 1.62 -2.16 -0.55 0.00 0.00 176.35 173.53 2rm4 s PRO 94 N -4.16 4.11 0.29 1.48 0.04 -1.26 -4.89 135.00 130.61 2rm4 s PRO 94 Ca 0.69 2.60 -0.03 0.00 0.04 0.00 0.00 61.00 64.30 2rm4 s PRO 94 Cb -0.23 -3.03 0.41 0.00 0.04 0.00 0.00 34.50 31.69 2rm4 s PRO 94 CO 0.46 -0.66 1.95 0.45 0.04 0.00 0.00 177.00 179.23 2rm4 h HIS 95 N 5.11 1.11 -3.21 0.56 3.86 -2.07 -3.41 115.15 117.10 2rm4 h HIS 95 Ca -0.47 0.03 -0.61 0.00 -1.16 0.00 0.00 60.37 58.16 2rm4 h HIS 95 Cb 1.22 -0.37 -0.13 0.00 1.06 0.00 0.00 27.41 29.19 2rm4 h HIS 95 CO 0.59 0.67 -0.51 0.12 0.86 0.00 0.00 177.93 179.66 2rm4 s PHE 96 N -5.98 3.38 0.10 2.45 5.36 -1.26 -5.09 117.98 116.94 2rm4 s PHE 96 Ca -0.12 0.27 0.10 0.00 -0.96 0.00 0.00 56.93 56.22 2rm4 s PHE 96 Cb 0.18 -2.11 -0.04 0.00 -0.34 0.00 0.00 43.02 40.72 2rm4 s PHE 96 CO 0.80 0.30 -0.25 -1.12 -1.46 0.00 0.00 175.22 173.50 2rm4 s SER 97 N 0.19 3.02 -0.44 6.13 0.01 -1.26 -5.11 113.70 116.24 2rm4 s SER 97 Ca 0.07 -0.69 -0.17 0.00 1.31 0.00 0.00 55.95 56.48 2rm4 s SER 97 Cb -0.11 -0.21 0.03 0.00 0.21 0.00 0.00 66.02 65.94 2rm4 s SER 97 CO -0.01 0.16 0.41 0.21 0.41 0.00 0.00 173.24 174.42 2rm4 s ASN 98 N -1.82 6.17 0.52 2.44 3.84 -1.26 -4.92 114.94 119.90 2rm4 s ASN 98 Ca 0.11 -0.88 0.30 0.00 0.21 0.00 0.00 52.86 52.60 2rm4 s ASN 98 Cb -0.10 -2.21 1.34 0.00 -0.55 0.00 0.00 41.25 39.74 2rm4 s ASN 98 CO 0.05 -0.59 1.99 0.16 -2.79 0.00 0.00 177.10 175.91 2rm4 h ILE 99 N 5.72 0.30 -3.61 -5.21 3.07 -2.06 -3.42 117.51 112.30 2rm4 h ILE 99 Ca -0.27 -0.67 -0.51 0.00 1.55 0.00 0.00 64.86 64.96 2rm4 h ILE 99 Cb 1.11 1.51 -0.03 0.00 -0.27 0.00 0.00 36.82 39.14 2rm4 h ILE 99 CO 0.81 0.10 0.16 -0.76 -1.05 0.00 0.00 178.15 177.41 2rm4 s LEU 100 N -6.62 4.41 0.00 0.16 1.43 -1.26 -5.39 118.68 111.41 2rm4 s LEU 100 Ca -0.00 1.54 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 2rm4 s LEU 100 Cb 0.11 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.75 2rm4 s LEU 100 CO 0.57 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.82