#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 1.58 -2.68 4.61 0.00 -2.10 -3.43 119.26 117.24 2rm4 h ALA 0 Ca 0.00 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 2rm4 h ALA 0 Cb 0.00 -0.15 -0.21 0.00 0.00 0.00 0.00 17.79 17.43 2rm4 h ALA 0 CO 0.00 0.33 -0.40 -1.64 0.00 0.00 0.00 179.25 177.54 2rm4 s MET 1 N -5.27 0.54 -0.54 0.00 1.00 -1.26 -5.10 119.30 108.67 2rm4 s MET 1 Ca -0.08 -0.28 0.06 0.00 0.00 0.00 0.00 55.69 55.39 2rm4 s MET 1 Cb 0.17 0.23 0.22 0.00 0.00 0.00 0.00 34.83 35.45 2rm4 s MET 1 CO 0.74 -0.14 0.55 0.41 0.00 0.00 0.00 175.02 176.58 2rm4 n GLY 2 N 1.46 3.58 2.36 -0.03 0.00 -1.26 -4.99 105.19 106.32 2rm4 n GLY 2 Ca -0.22 -2.12 -0.34 0.00 0.00 0.00 0.00 46.02 43.34 2rm4 n GLY 2 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rm4 n PRO 3 N 1.65 3.29 -0.44 1.61 -0.04 -1.26 -4.50 135.00 135.31 2rm4 n PRO 3 Ca 0.25 -1.99 0.09 0.00 -0.04 0.00 0.00 63.50 61.81 2rm4 n PRO 3 Cb 0.44 -2.69 0.29 0.00 -0.04 0.00 0.00 33.50 31.50 2rm4 n PRO 3 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2rm4 n THR 4 N 3.66 1.24 -2.69 0.52 -2.24 -1.26 -4.85 114.28 108.66 2rm4 n THR 4 Ca 0.70 -0.93 -0.34 0.00 -2.27 0.00 0.00 64.05 61.21 2rm4 n THR 4 Cb 0.24 0.22 -0.05 0.00 -2.10 0.00 0.00 70.33 68.63 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 -0.90 6.78 0.00 3.42 1.01 -1.26 -4.88 116.67 120.84 2rm4 s ASP 5 Ca 0.43 1.83 0.21 0.00 0.71 0.00 0.00 52.55 55.73 2rm4 s ASP 5 Cb 0.25 -2.56 1.12 0.00 1.01 0.00 0.00 42.92 42.75 2rm4 s ASP 5 CO 0.24 -0.47 1.67 0.00 0.21 0.00 0.00 175.17 176.82 2rm4 n GLN 6 N -0.50 0.40 0.19 8.23 6.02 -1.26 -3.42 117.38 127.04 2rm4 n GLN 6 Ca 0.07 0.07 0.03 0.00 -0.01 0.00 0.00 57.00 57.15 2rm4 n GLN 6 Cb 0.52 -1.50 0.37 0.00 1.02 0.00 0.00 30.24 30.65 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 1.18 1.08 3.32 -1.98 -2.55 116.42 117.47 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 0.37 0.00 0.79 -1.72 0.00 0.00 179.24 178.68 2rm4 n TRP 8 N -4.06 0.74 -1.70 4.55 5.03 -1.22 -4.80 117.44 115.99 2rm4 n TRP 8 Ca -0.02 0.24 -0.44 0.00 3.03 0.00 0.00 57.50 60.31 2rm4 n TRP 8 Cb 0.41 -0.89 -0.03 0.00 -1.03 0.00 0.00 31.31 29.77 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 -2.13 0.28 -0.72 -0.99 2.08 -0.96 -0.49 119.36 116.43 2rm4 n ILE 9 Ca 0.05 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.29 2rm4 n ILE 9 Cb 0.36 -1.73 0.00 0.00 -0.75 0.00 0.00 39.64 37.51 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 3.24 0.98 3.86 7.39 0.00 0.31 -4.93 105.19 116.03 2rm4 n GLY 10 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.61 3.60 0.08 0.00 0.00 -0.92 -1.91 121.76 119.99 2rm4 s ALA 12 Ca 0.56 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.01 2rm4 s ALA 12 Cb -0.10 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 2rm4 s ALA 12 CO 0.34 -0.75 -0.07 0.14 0.00 0.00 0.00 175.76 175.42 2rm4 s VAL 13 N 2.34 0.67 -0.02 0.00 -7.23 -1.04 0.56 120.40 115.68 2rm4 s VAL 13 Ca 0.23 -1.69 0.07 0.00 -1.81 0.00 0.00 61.98 58.79 2rm4 s VAL 13 Cb -0.16 -1.38 -0.02 0.00 0.56 0.00 0.00 36.38 35.39 2rm4 s VAL 13 CO 0.09 -0.72 -0.24 -0.55 -0.31 0.00 0.00 175.10 173.37 2rm4 s SER 14 N -2.61 2.82 -0.15 4.85 0.15 -0.58 -2.58 113.70 115.61 2rm4 s SER 14 Ca 0.06 -0.44 0.01 0.00 0.70 0.00 0.00 55.95 56.28 2rm4 s SER 14 Cb 0.01 -0.33 0.02 0.00 -1.71 0.00 0.00 66.02 64.00 2rm4 s SER 14 CO -0.03 0.29 -0.18 -0.63 1.20 0.00 0.00 173.24 173.89 2rm4 s ILE 15 N -0.55 1.81 -0.41 6.45 -1.09 -0.54 -2.13 121.20 124.74 2rm4 s ILE 15 Ca 0.09 -0.80 -0.16 0.00 -2.23 0.00 0.00 60.65 57.55 2rm4 s ILE 15 Cb -0.09 -1.64 0.02 0.00 -1.58 0.00 0.00 42.46 39.17 2rm4 s ILE 15 CO -0.01 0.50 0.35 0.00 -1.23 0.00 0.00 174.94 174.55 2rm4 s ALA 16 N 1.15 3.46 0.47 9.38 0.00 -0.71 -2.45 121.76 133.06 2rm4 s ALA 16 Ca -0.01 -1.65 0.02 0.00 0.00 0.00 0.00 51.96 50.32 2rm4 s ALA 16 Cb -0.14 -2.95 0.01 0.00 0.00 0.00 0.00 23.12 20.04 2rm4 s ALA 16 CO -0.07 -1.51 0.68 0.00 0.00 0.00 0.00 175.76 174.86 2rm4 n ASP 18 N -2.10 -1.85 -0.14 0.00 8.00 -1.23 -4.25 116.55 114.97 2rm4 n ASP 18 Ca 0.04 -0.18 0.15 0.00 0.71 0.00 0.00 54.79 55.51 2rm4 n ASP 18 Cb 0.58 -1.23 0.52 0.00 -0.02 0.00 0.00 41.12 40.97 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 -2.68 0.38 0.00 -1.24 5.08 -1.97 0.18 114.58 114.34 2rm4 h GLU 19 Ca -0.62 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 57.64 2rm4 h GLU 19 Cb 1.34 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2rm4 h GLU 19 CO 0.48 0.25 -0.40 0.28 -1.00 0.00 0.00 179.01 178.62 2rm4 h VAL 20 N 0.39 0.82 0.00 3.13 2.07 -2.01 -3.11 116.25 117.54 2rm4 h VAL 20 Ca 0.35 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 66.14 2rm4 h VAL 20 Cb 0.81 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 2rm4 h VAL 20 CO -0.10 0.39 -0.86 0.18 0.02 0.00 0.00 177.57 177.20 2rm4 n LEU 21 N -3.39 0.67 0.00 2.57 4.77 0.59 -5.06 117.00 117.16 2rm4 n LEU 21 Ca 0.01 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2rm4 n LEU 21 Cb 0.58 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2rm4 n LEU 21 CO 0.38 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2rm4 n GLY 22 N 1.33 0.59 3.05 -0.72 0.00 -0.88 -4.84 105.19 103.73 2rm4 n GLY 22 Ca 0.02 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 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 0.79 0.13 1.61 1.01 -1.26 -1.82 120.40 120.86 2rm4 s VAL 23 Ca 0.00 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.43 2rm4 s VAL 23 Cb 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 2rm4 s VAL 23 CO 0.00 0.11 -0.10 0.72 0.00 0.00 0.00 175.10 175.83 2rm4 s PHE 24 N -0.46 1.16 0.02 5.22 -0.12 -1.03 -2.39 117.98 120.37 2rm4 s PHE 24 Ca 0.02 -0.76 0.01 0.00 -0.05 0.00 0.00 56.93 56.15 2rm4 s PHE 24 Cb -0.05 -0.61 -0.01 0.00 -0.63 0.00 0.00 43.02 41.72 2rm4 s PHE 24 CO 0.00 0.02 -0.05 -0.65 -0.05 0.00 0.00 175.22 174.49 2rm4 s GLN 25 N -3.56 0.39 -0.04 1.99 -0.21 0.07 -1.46 119.66 116.83 2rm4 s GLN 25 Ca 0.13 -0.48 -0.31 0.00 0.02 0.00 0.00 55.36 54.73 2rm4 s GLN 25 Cb 0.02 -0.21 0.13 0.00 1.00 0.00 0.00 33.01 33.95 2rm4 s GLN 25 CO -0.01 0.04 1.31 0.20 -2.12 0.00 0.00 175.29 174.71 2rm4 s GLY 26 N -0.96 -0.42 0.01 3.09 0.00 -1.07 -2.11 107.32 105.86 2rm4 s GLY 26 Ca -0.07 0.79 -0.19 0.00 0.00 0.00 0.00 44.72 45.25 2rm4 s GLY 26 CO -0.00 0.15 0.55 1.08 0.00 0.00 0.00 173.10 174.89 2rm4 s LEU 27 N -2.94 4.44 0.28 0.66 1.43 -1.25 -2.48 118.68 118.82 2rm4 s LEU 27 Ca 0.14 1.14 -0.29 0.00 -1.03 0.00 0.00 54.13 54.08 2rm4 s LEU 27 Cb 0.05 -2.85 -0.10 0.00 0.03 0.00 0.00 46.19 43.32 2rm4 s LEU 27 CO -0.04 0.17 1.35 -0.63 0.23 0.00 0.00 176.35 177.43 2rm4 s ILE 28 N -0.49 2.80 -0.12 -0.59 1.01 -0.80 -1.64 121.20 121.36 2rm4 s ILE 28 Ca 0.29 0.72 0.14 0.00 0.00 0.00 0.00 60.65 61.80 2rm4 s ILE 28 Cb -0.18 -3.46 -0.20 0.00 0.01 0.00 0.00 42.46 38.63 2rm4 s ILE 28 CO 0.17 0.14 0.12 1.17 0.00 0.00 0.00 174.94 176.54 2rm4 n LYS 29 N 1.68 1.30 -3.53 2.79 4.81 0.29 0.11 118.16 125.61 2rm4 n LYS 29 Ca 0.03 -0.04 -0.16 0.00 -0.87 0.00 0.00 58.31 57.27 2rm4 n LYS 29 Cb 0.41 -1.39 -0.06 0.00 0.02 0.00 0.00 35.03 34.02 2rm4 n LYS 29 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 2rm4 s GLN 30 N -2.54 1.06 -0.00 1.64 0.74 -1.07 -4.78 119.66 114.70 2rm4 s GLN 30 Ca -0.07 0.05 0.00 0.00 0.05 0.00 0.00 55.36 55.39 2rm4 s GLN 30 Cb 0.06 0.49 0.00 0.00 1.10 0.00 0.00 33.01 34.67 2rm4 s GLN 30 CO 0.63 -0.36 -0.01 0.42 -0.55 0.00 0.00 175.29 175.43 2rm4 s ILE 31 N -1.74 0.06 0.07 -2.34 1.01 -1.26 -1.38 121.20 115.62 2rm4 s ILE 31 Ca -0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 2rm4 s ILE 31 Cb -0.01 -0.08 -0.00 0.00 0.01 0.00 0.00 42.46 42.38 2rm4 s ILE 31 CO 0.05 0.03 0.18 -0.94 0.00 0.00 0.00 174.94 174.25 2rm4 s SER 32 N 0.12 0.12 0.61 3.58 1.04 -0.79 -4.91 113.70 113.47 2rm4 s SER 32 Ca -0.01 -0.57 0.31 0.00 0.48 0.00 0.00 55.95 56.15 2rm4 s SER 32 Cb -0.02 0.31 1.71 0.00 0.10 0.00 0.00 66.02 68.12 2rm4 s SER 32 CO -0.00 -0.66 2.06 0.00 0.98 0.00 0.00 173.24 175.62 2rm4 h ALA 33 N 3.03 1.68 0.00 5.32 0.00 -1.93 -1.46 119.26 125.91 2rm4 h ALA 33 Ca -0.33 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.39 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 0.54 -0.34 -1.63 0.39 0.00 0.00 0.00 179.25 178.21 2rm4 n GLU 34 N -3.53 0.64 -3.56 0.00 -0.58 -1.26 -4.87 120.64 107.48 2rm4 n GLU 34 Ca 0.01 0.14 -0.13 0.00 -0.42 0.00 0.00 57.16 56.77 2rm4 n GLU 34 Cb 0.36 -1.73 -0.04 0.00 -0.57 0.00 0.00 31.44 29.46 2rm4 n GLU 34 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2rm4 s GLU 35 N -2.92 1.09 -0.03 3.49 -1.05 -0.55 -2.97 118.70 115.76 2rm4 s GLU 35 Ca -0.05 -0.40 0.04 0.00 -0.15 0.00 0.00 54.97 54.41 2rm4 s GLU 35 Cb 0.09 0.50 -0.03 0.00 -0.44 0.00 0.00 34.13 34.25 2rm4 s GLU 35 CO 0.83 -0.42 -0.14 0.42 0.95 0.00 0.00 175.26 176.89 2rm4 s ILE 36 N -3.05 3.10 -0.07 1.83 -1.09 -0.94 -1.88 121.20 119.09 2rm4 s ILE 36 Ca -0.02 -0.78 0.04 0.00 -2.23 0.00 0.00 60.65 57.66 2rm4 s ILE 36 Cb -0.00 -2.24 0.00 0.00 -1.58 0.00 0.00 42.46 38.64 2rm4 s ILE 36 CO -0.07 0.54 -0.19 -0.89 -1.23 0.00 0.00 174.94 173.11 2rm4 s THR 37 N -0.78 1.63 0.27 2.92 2.01 -0.48 -2.41 115.64 118.80 2rm4 s THR 37 Ca 0.12 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.36 2rm4 s THR 37 Cb -0.11 -1.42 -0.05 0.00 0.01 0.00 0.00 72.50 70.93 2rm4 s THR 37 CO 0.02 0.46 0.09 0.27 -0.69 0.00 0.00 174.62 174.77 2rm4 s ILE 38 N 0.33 0.68 0.25 1.82 -4.36 -0.73 -0.55 121.20 118.64 2rm4 s ILE 38 Ca -0.13 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.33 2rm4 s ILE 38 Cb -0.15 -2.67 -0.05 0.00 1.25 0.00 0.00 42.46 40.83 2rm4 s ILE 38 CO 0.05 0.00 -0.07 0.68 0.24 0.00 0.00 174.94 175.84 2rm4 s VAL 39 N -3.65 1.55 -1.05 8.37 -7.23 -0.65 -1.82 120.40 115.92 2rm4 s VAL 39 Ca 0.37 -2.13 -0.09 0.00 -1.81 0.00 0.00 61.98 58.33 2rm4 s VAL 39 Cb 0.08 -2.30 -0.05 0.00 0.56 0.00 0.00 36.38 34.67 2rm4 s VAL 39 CO 0.14 -0.40 0.88 0.54 -0.31 0.00 0.00 175.10 175.95 2rm4 n ARG 40 N -0.48 -1.98 -2.10 4.82 5.12 -0.78 -3.77 116.66 117.50 2rm4 n ARG 40 Ca -0.06 0.82 -0.42 0.00 -1.93 0.00 0.00 57.85 56.26 2rm4 n ARG 40 Cb 0.62 -5.46 -0.03 0.00 -1.16 0.00 0.00 32.46 26.44 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 -3.38 3.64 -0.10 7.54 0.00 -1.24 -4.71 121.76 123.50 2rm4 s ALA 41 Ca 0.43 1.13 0.01 0.00 0.00 0.00 0.00 51.96 53.53 2rm4 s ALA 41 Cb -0.08 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 2rm4 s ALA 41 CO 0.77 -0.78 -0.12 -0.06 0.00 0.00 0.00 175.76 175.56 2rm4 s PHE 42 N 1.63 2.79 0.01 0.00 0.40 -0.90 -2.76 117.98 119.15 2rm4 s PHE 42 Ca 0.67 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 56.62 2rm4 s PHE 42 Cb -0.37 -1.76 -0.01 0.00 0.51 0.00 0.00 43.02 41.38 2rm4 s PHE 42 CO 0.30 -0.02 -0.07 0.50 0.70 0.00 0.00 175.22 176.63 2rm4 s ARG 43 N -0.12 0.56 -1.54 0.44 3.52 -0.52 -0.75 118.95 120.53 2rm4 s ARG 43 Ca -0.01 -0.38 -0.14 0.00 -0.13 0.00 0.00 55.73 55.07 2rm4 s ARG 43 Cb -0.14 -0.50 0.09 0.00 -1.56 0.00 0.00 34.95 32.85 2rm4 s ARG 43 CO 0.03 0.13 0.95 0.09 -0.81 0.00 0.00 175.30 175.69 2rm4 n ASN 44 N 2.53 -4.48 -1.62 -2.12 5.03 -1.01 -1.26 115.26 112.33 2rm4 n ASN 44 Ca -0.15 -0.81 -0.19 0.00 0.87 0.00 0.00 54.58 54.30 2rm4 n ASN 44 Cb 0.57 -3.77 -0.07 0.00 -1.02 0.00 0.00 39.78 35.49 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 -1.66 1.36 3.07 7.41 0.00 -1.26 -4.96 105.19 109.14 2rm4 n GLY 45 Ca 0.03 -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 0.23 1.61 1.01 -0.39 -5.14 120.40 115.07 2rm4 s VAL 46 Ca 0.00 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 2rm4 s VAL 46 Cb 0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 36.38 35.72 2rm4 s VAL 46 CO 0.00 -0.51 1.18 -2.84 0.00 0.00 0.00 175.10 172.93 2rm4 s PRO 47 N -1.90 4.53 0.33 2.72 0.02 -1.26 -1.43 135.00 138.00 2rm4 s PRO 47 Ca -0.11 1.88 -0.26 0.00 0.02 0.00 0.00 61.00 62.53 2rm4 s PRO 47 Cb -0.06 -3.21 -0.10 0.00 0.02 0.00 0.00 34.50 31.16 2rm4 s PRO 47 CO -0.02 -0.00 0.99 -0.51 -0.33 0.00 0.00 177.00 177.13 2rm4 s LEU 48 N -0.76 4.33 0.44 -5.54 1.43 -1.11 -4.87 118.68 112.60 2rm4 s LEU 48 Ca 0.50 1.94 0.10 0.00 -1.03 0.00 0.00 54.13 55.64 2rm4 s LEU 48 Cb -0.33 -4.00 0.98 0.00 0.03 0.00 0.00 46.19 42.87 2rm4 s LEU 48 CO 0.39 -0.17 2.06 0.03 0.23 0.00 0.00 176.35 178.89 2rm4 h ARG 49 N 3.12 0.41 -2.15 1.70 3.08 -1.95 -2.68 114.38 115.92 2rm4 h ARG 49 Ca -0.47 -0.02 -0.59 0.00 0.07 0.00 0.00 59.98 58.97 2rm4 h ARG 49 Cb 1.20 -0.09 -0.18 0.00 0.08 0.00 0.00 29.97 30.98 2rm4 h ARG 49 CO 0.65 0.27 0.93 1.63 -1.07 0.00 0.00 179.97 182.37 2rm4 n LYS 50 N -4.48 3.05 -0.17 0.04 5.02 -1.26 -4.69 118.16 115.67 2rm4 n LYS 50 Ca 0.04 -2.79 0.09 0.00 -2.02 0.00 0.00 58.31 53.63 2rm4 n LYS 50 Cb 0.15 -2.28 0.40 0.00 -0.02 0.00 0.00 35.03 33.28 2rm4 n LYS 50 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2rm4 h GLN 51 N 3.41 0.62 0.00 1.97 4.15 -1.77 0.11 115.11 123.59 2rm4 h GLN 51 Ca 0.48 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.85 2rm4 h GLN 51 Cb 0.55 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 2rm4 h GLN 51 CO 1.07 0.41 -0.10 -0.91 -1.93 0.00 0.00 178.83 177.37 2rm4 h ASN 52 N 0.64 0.00 -3.92 -0.69 2.35 -1.90 -2.07 115.58 110.00 2rm4 h ASN 52 Ca 0.33 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 55.59 2rm4 h ASN 52 Cb 0.45 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.84 2rm4 h ASN 52 CO -0.12 0.10 0.43 0.00 -1.65 0.00 0.00 177.43 176.20 2rm4 s ALA 53 N -3.62 3.18 0.18 -0.83 0.00 0.36 -4.76 121.76 116.27 2rm4 s ALA 53 Ca 0.01 0.77 -0.17 0.00 0.00 0.00 0.00 51.96 52.58 2rm4 s ALA 53 Cb 0.09 -3.29 -0.08 0.00 0.00 0.00 0.00 23.12 19.84 2rm4 s ALA 53 CO 0.60 -0.22 0.63 -1.83 0.00 0.00 0.00 175.76 174.94 2rm4 s GLU 54 N -2.19 4.12 -0.23 0.00 -1.05 -1.26 -4.26 118.70 113.83 2rm4 s GLU 54 Ca 0.54 0.68 -0.09 0.00 -0.15 0.00 0.00 54.97 55.96 2rm4 s GLU 54 Cb -0.25 -2.92 -0.04 0.00 -0.44 0.00 0.00 34.13 30.47 2rm4 s GLU 54 CO 0.32 0.45 0.11 0.08 0.95 0.00 0.00 175.26 177.17 2rm4 s VAL 55 N -1.47 4.90 -0.22 1.83 1.01 -0.76 -4.96 120.40 120.73 2rm4 s VAL 55 Ca 0.40 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.41 2rm4 s VAL 55 Cb -0.16 -3.27 0.05 0.00 0.00 0.00 0.00 36.38 33.00 2rm4 s VAL 55 CO 0.20 0.37 -0.10 -0.69 0.00 0.00 0.00 175.10 174.88 2rm4 s VAL 56 N 1.04 1.75 -0.05 2.92 1.01 -1.26 -1.77 120.40 124.04 2rm4 s VAL 56 Ca 0.06 -1.19 0.03 0.00 0.00 0.00 0.00 61.98 60.88 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 0.04 0.09 -0.13 -0.76 0.00 0.00 0.00 175.10 174.33 2rm4 s LEU 57 N 1.33 1.79 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 -0.81 -0.09 0.00 0.03 0.00 0.00 46.19 45.15 2rm4 s LEU 57 CO -0.07 0.09 1.06 -0.54 0.23 0.00 0.00 176.35 177.12 2rm4 s LYS 58 N 0.28 4.37 0.48 1.70 1.02 -1.26 -2.22 119.74 124.11 2rm4 s LYS 58 Ca -0.07 1.61 0.20 0.00 0.02 0.00 0.00 55.97 57.72 2rm4 s LYS 58 Cb -0.12 -2.81 1.22 0.00 -0.52 0.00 0.00 37.83 35.60 2rm4 s LYS 58 CO 0.02 0.02 1.98 0.00 -0.92 0.00 0.00 175.35 176.46 2rm4 h THR 60 N 0.20 0.89 0.00 0.00 1.35 -1.91 -1.87 112.91 111.56 2rm4 h THR 60 Ca 0.27 -0.66 -0.11 0.00 -0.55 0.00 0.00 66.41 65.36 2rm4 h THR 60 Cb 0.80 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 68.59 2rm4 h THR 60 CO -0.05 0.17 -1.20 0.44 -0.25 0.00 0.00 175.52 174.64 2rm4 h ASP 61 N 0.00 0.00 -3.87 5.36 3.32 -1.48 -3.46 116.42 116.29 2rm4 h ASP 61 Ca -0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 2rm4 h ASP 61 Cb 0.37 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2rm4 h ASP 61 CO 0.02 0.39 0.30 -0.63 -1.72 0.00 0.00 179.24 177.61 2rm4 s ILE 62 N -3.06 4.32 -0.21 0.35 1.01 -0.70 -3.58 121.20 119.32 2rm4 s ILE 62 Ca -0.01 1.64 0.13 0.00 0.00 0.00 0.00 60.65 62.41 2rm4 s ILE 62 Cb 0.09 -3.89 -0.22 0.00 0.01 0.00 0.00 42.46 38.45 2rm4 s ILE 62 CO 0.80 0.04 -0.02 -1.14 0.00 0.00 0.00 174.94 174.62 2rm4 n ARG 63 N 0.29 0.74 -3.47 2.79 3.00 -0.44 -4.90 116.66 114.67 2rm4 n ARG 63 Ca 0.02 0.04 -0.14 0.00 -0.00 0.00 0.00 57.85 57.78 2rm4 n ARG 63 Cb 0.51 -1.51 -0.03 0.00 0.00 0.00 0.00 32.46 31.43 2rm4 n ARG 63 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2rm4 s SER 64 N -5.73 -0.57 0.02 6.15 1.04 -1.09 -5.04 113.70 108.48 2rm4 s SER 64 Ca -0.17 0.26 -0.00 0.00 0.48 0.00 0.00 55.95 56.51 2rm4 s SER 64 Cb 0.07 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.71 2rm4 s SER 64 CO 0.74 -0.79 -0.02 -0.63 0.98 0.00 0.00 173.24 173.52 2rm4 s ILE 65 N -2.71 0.10 -0.03 -1.02 1.01 -1.26 -1.74 121.20 115.55 2rm4 s ILE 65 Ca -0.03 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.77 2rm4 s ILE 65 Cb -0.01 -0.26 0.03 0.00 0.01 0.00 0.00 42.46 42.23 2rm4 s ILE 65 CO -0.04 -0.47 0.00 1.51 0.00 0.00 0.00 174.94 175.94 2rm4 s ASP 66 N -1.39 0.36 -0.34 3.58 -4.77 -0.91 -5.01 116.67 108.20 2rm4 s ASP 66 Ca -0.15 -0.02 -0.29 0.00 -3.30 0.00 0.00 52.55 48.79 2rm4 s ASP 66 Cb -0.09 -0.20 0.01 0.00 -1.09 0.00 0.00 42.92 41.54 2rm4 s ASP 66 CO -0.01 -0.10 1.29 -0.76 0.70 0.00 0.00 175.17 176.29 2rm4 s LEU 67 N 1.00 3.81 -0.07 2.11 1.43 -1.26 -1.52 118.68 124.18 2rm4 s LEU 67 Ca -0.10 1.06 -0.19 0.00 -1.03 0.00 0.00 54.13 53.87 2rm4 s LEU 67 Cb -0.13 -3.54 -0.15 0.00 0.03 0.00 0.00 46.19 42.40 2rm4 s LEU 67 CO -0.02 -1.15 0.73 0.40 0.23 0.00 0.00 176.35 176.55 2rm4 h ILE 68 N 6.06 0.81 -3.79 -0.59 2.04 -0.22 -3.47 117.51 118.35 2rm4 h ILE 68 Ca -0.26 -1.23 -0.31 0.00 1.00 0.00 0.00 64.86 64.07 2rm4 h ILE 68 Cb 1.09 1.40 -0.29 0.00 -0.74 0.00 0.00 36.82 38.28 2rm4 h ILE 68 CO 1.05 0.23 -0.74 -1.61 0.00 0.00 0.00 178.15 177.07 2rm4 s GLU 69 N -3.02 0.31 0.61 2.37 0.41 -0.93 -5.01 118.70 113.43 2rm4 s GLU 69 Ca -0.11 -0.10 -0.19 0.00 -0.41 0.00 0.00 54.97 54.15 2rm4 s GLU 69 Cb -0.00 -0.33 -0.03 0.00 -1.78 0.00 0.00 34.13 32.00 2rm4 s GLU 69 CO 0.43 0.04 1.30 -1.25 -0.49 0.00 0.00 175.26 175.29 2rm4 s PRO 70 N 0.11 2.79 0.36 0.39 0.04 -1.26 -2.17 135.00 135.26 2rm4 s PRO 70 Ca -0.01 2.08 -0.28 0.00 0.04 0.00 0.00 61.00 62.83 2rm4 s PRO 70 Cb -0.04 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.41 2rm4 s PRO 70 CO -0.00 -1.41 1.49 0.00 0.04 0.00 0.00 177.00 177.11 2rm4 s ALA 71 N -1.40 3.59 0.35 8.56 0.00 -1.26 -4.71 121.76 126.89 2rm4 s ALA 71 Ca 0.79 1.55 0.03 0.00 0.00 0.00 0.00 51.96 54.33 2rm4 s ALA 71 Cb -0.37 -3.61 0.65 0.00 0.00 0.00 0.00 23.12 19.79 2rm4 s ALA 71 CO 0.41 -1.02 2.00 0.87 0.00 0.00 0.00 175.76 178.02 2rm4 h LYS 72 N 3.26 0.79 -6.24 0.00 1.57 -1.91 -3.46 116.57 110.58 2rm4 h LYS 72 Ca -0.50 -0.06 -0.46 0.00 -1.87 0.00 0.00 60.65 57.76 2rm4 h LYS 72 Cb 1.24 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 2rm4 h LYS 72 CO 0.66 0.54 -0.75 1.04 -0.57 0.00 0.00 179.45 180.37 2rm4 n GLN 73 N -4.43 -5.80 -4.15 3.15 6.02 -1.26 -4.98 117.38 105.93 2rm4 n GLN 73 Ca 0.06 0.63 -0.26 0.00 -0.01 0.00 0.00 57.00 57.41 2rm4 n GLN 73 Cb 0.06 -5.52 -0.07 0.00 1.02 0.00 0.00 30.24 25.73 2rm4 n GLN 73 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2rm4 s ASP 74 N -3.38 5.10 -0.25 1.08 1.01 -1.26 -5.10 116.67 113.86 2rm4 s ASP 74 Ca 0.61 -0.29 -0.12 0.00 0.71 0.00 0.00 52.55 53.47 2rm4 s ASP 74 Cb -0.30 -1.20 -0.05 0.00 1.01 0.00 0.00 42.92 42.38 2rm4 s ASP 74 CO 0.82 0.08 0.25 -0.22 0.21 0.00 0.00 175.17 176.30 2rm4 s LEU 75 N -3.04 4.08 -0.09 1.23 2.96 -1.26 -4.95 118.68 117.59 2rm4 s LEU 75 Ca 0.29 0.17 0.14 0.00 -0.22 0.00 0.00 54.13 54.50 2rm4 s LEU 75 Cb -0.10 -2.23 0.43 0.00 0.50 0.00 0.00 46.19 44.79 2rm4 s LEU 75 CO 0.21 -0.04 1.35 0.47 -1.32 0.00 0.00 176.35 177.01 2rm4 n ASP 76 N 4.77 3.45 -4.75 3.68 8.00 -1.26 -4.74 116.55 125.70 2rm4 n ASP 76 Ca -0.12 -2.52 -0.41 0.00 0.71 0.00 0.00 54.79 52.45 2rm4 n ASP 76 Cb 0.52 -0.39 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 2rm4 n ASP 76 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2rm4 s GLY 77 N -1.46 2.64 0.38 0.44 0.00 -1.26 -4.90 107.32 103.16 2rm4 s GLY 77 Ca 0.33 1.18 0.07 0.00 0.00 0.00 0.00 44.72 46.30 2rm4 s GLY 77 CO 0.12 2.02 2.00 0.45 0.00 0.00 0.00 173.10 177.69 2rm4 h HIS 78 N 4.59 0.65 -3.81 1.90 3.86 -2.03 -3.41 115.15 116.91 2rm4 h HIS 78 Ca -0.46 0.02 -0.50 0.00 -1.16 0.00 0.00 60.37 58.26 2rm4 h HIS 78 Cb 1.22 -0.22 0.01 0.00 1.06 0.00 0.00 27.41 29.48 2rm4 h HIS 78 CO 0.59 0.37 0.44 0.99 0.86 0.00 0.00 177.93 181.18 2rm4 s THR 79 N -5.59 3.66 -0.82 2.45 2.01 -1.26 -4.07 115.64 112.01 2rm4 s THR 79 Ca -0.09 1.63 -0.02 0.00 0.31 0.00 0.00 61.69 63.52 2rm4 s THR 79 Cb 0.19 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 2rm4 s THR 79 CO 0.76 0.36 0.70 0.00 -0.69 0.00 0.00 174.62 175.74 2rm4 n ALA 80 N 1.15 -2.59 -1.15 7.40 0.00 -1.26 -4.92 120.51 119.14 2rm4 n ALA 80 Ca -0.01 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.01 2rm4 n ALA 80 Cb 0.46 -1.80 0.12 0.00 0.00 0.00 0.00 19.45 18.24 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 -3.88 1.68 0.60 0.00 0.02 -1.26 -4.92 135.00 127.24 2rm4 s PRO 81 Ca 0.07 1.80 -0.20 0.00 0.02 0.00 0.00 61.00 62.69 2rm4 s PRO 81 Cb -0.02 -1.78 -0.03 0.00 0.02 0.00 0.00 34.50 32.69 2rm4 s PRO 81 CO 0.80 -2.19 1.33 -2.14 -0.33 0.00 0.00 177.00 174.47 2rm4 s PRO 82 N -4.07 2.85 0.63 5.54 0.02 -1.26 -4.93 135.00 133.78 2rm4 s PRO 82 Ca 0.74 2.16 -0.19 0.00 0.02 0.00 0.00 61.00 63.74 2rm4 s PRO 82 Cb -0.30 -2.06 -0.02 0.00 0.02 0.00 0.00 34.50 32.14 2rm4 s PRO 82 CO 0.50 -1.40 1.27 -2.30 -0.33 0.00 0.00 177.00 174.74 2rm4 n PRO 83 N -1.46 1.19 -0.15 5.54 -0.02 -1.26 -4.89 135.00 133.95 2rm4 n PRO 83 Ca 0.13 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2rm4 n PRO 83 Cb 0.46 -2.50 0.26 0.00 -0.02 0.00 0.00 33.50 31.71 2rm4 n PRO 83 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2rm4 h VAL 84 N 0.68 1.19 -0.82 -1.45 2.07 -2.05 -2.33 116.25 113.54 2rm4 h VAL 84 Ca -0.51 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 66.55 2rm4 h VAL 84 Cb 1.34 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 2rm4 h VAL 84 CO 0.53 0.21 0.54 0.58 0.02 0.00 0.00 177.57 179.46 2rm4 h VAL 85 N 0.86 1.20 -3.45 2.57 2.07 -2.03 -3.39 116.25 114.08 2rm4 h VAL 85 Ca 0.22 -0.38 -0.60 0.00 0.82 0.00 0.00 66.70 66.76 2rm4 h VAL 85 Cb 0.03 0.01 -0.12 0.00 -1.52 0.00 0.00 31.29 29.69 2rm4 h VAL 85 CO -0.04 0.20 -0.34 0.20 0.02 0.00 0.00 177.57 177.61 2rm4 s ASN 86 N -6.29 6.33 -0.31 0.57 0.01 -0.88 -5.06 114.94 109.31 2rm4 s ASN 86 Ca -0.11 0.37 0.02 0.00 -0.71 0.00 0.00 52.86 52.43 2rm4 s ASN 86 Cb 0.18 -2.17 0.09 0.00 0.41 0.00 0.00 41.25 39.76 2rm4 s ASN 86 CO 0.79 0.03 0.05 -0.54 -1.51 0.00 0.00 177.10 175.92 2rm4 s LYS 87 N 0.95 1.20 0.65 -0.60 1.02 -1.26 -4.45 119.74 117.25 2rm4 s LYS 87 Ca 0.14 -1.40 -0.18 0.00 0.02 0.00 0.00 55.97 54.56 2rm4 s LYS 87 Cb -0.14 -2.61 -0.01 0.00 -0.52 0.00 0.00 37.83 34.55 2rm4 s LYS 87 CO 0.05 -0.90 1.16 -2.30 -0.92 0.00 0.00 175.35 172.44 2rm4 n PRO 88 N 4.56 0.92 -2.03 -1.68 -0.02 -1.26 -4.86 135.00 130.64 2rm4 n PRO 88 Ca -0.01 0.37 -0.43 0.00 -2.02 0.00 0.00 63.50 61.41 2rm4 n PRO 88 Cb 0.42 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 2rm4 n PRO 88 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2rm4 s THR 89 N -1.51 3.54 0.80 3.45 -1.32 -1.26 -4.98 115.64 114.37 2rm4 s THR 89 Ca 0.80 0.59 -0.10 0.00 -1.21 0.00 0.00 61.69 61.76 2rm4 s THR 89 Cb -0.38 -3.63 0.08 0.00 -1.51 0.00 0.00 72.50 67.06 2rm4 s THR 89 CO 0.44 -0.33 1.10 -2.16 -2.21 0.00 0.00 174.62 171.46 2rm4 s PRO 90 N 5.18 1.99 -0.16 7.08 0.04 -1.26 -5.03 135.00 142.84 2rm4 s PRO 90 Ca 0.77 1.25 -0.08 0.00 0.04 0.00 0.00 61.00 62.98 2rm4 s PRO 90 Cb -0.25 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 2rm4 s PRO 90 CO 0.32 -1.86 0.09 0.08 0.04 0.00 0.00 177.00 175.68 2rm4 s VAL 91 N -2.85 5.09 0.09 -0.36 1.01 -1.26 -5.06 120.40 117.06 2rm4 s VAL 91 Ca 0.62 0.07 -0.31 0.00 0.00 0.00 0.00 61.98 62.36 2rm4 s VAL 91 Cb -0.18 -3.27 -0.08 0.00 0.00 0.00 0.00 36.38 32.84 2rm4 s VAL 91 CO 0.56 0.51 1.58 -1.59 0.00 0.00 0.00 175.10 176.16 2rm4 s LYS 92 N -0.09 4.22 0.31 2.72 -2.85 -1.26 -5.01 119.74 117.79 2rm4 s LYS 92 Ca 0.08 2.27 0.09 0.00 -1.00 0.00 0.00 55.97 57.41 2rm4 s LYS 92 Cb -0.12 -3.45 -0.05 0.00 -2.06 0.00 0.00 37.83 32.16 2rm4 s LYS 92 CO 0.01 -0.66 0.06 -0.51 0.10 0.00 0.00 175.35 174.35 2rm4 s LEU 93 N 2.09 3.17 0.42 2.77 1.02 -1.26 -5.09 118.68 121.79 2rm4 s LEU 93 Ca 0.71 -0.78 -0.26 0.00 0.02 0.00 0.00 54.13 53.82 2rm4 s LEU 93 Cb -0.40 -1.64 -0.09 0.00 0.02 0.00 0.00 46.19 44.08 2rm4 s LEU 93 CO 0.31 -0.18 1.45 -2.65 0.02 0.00 0.00 176.35 175.30 2rm4 n PRO 94 N -1.01 2.40 -5.10 1.29 -0.02 -1.26 -5.01 135.00 126.29 2rm4 n PRO 94 Ca -0.05 0.85 -0.29 0.00 -2.02 0.00 0.00 63.50 62.00 2rm4 n PRO 94 Cb 0.61 -2.64 -0.16 0.00 -0.02 0.00 0.00 33.50 31.29 2rm4 n PRO 94 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2rm4 s HIS 95 N -1.16 2.07 0.21 6.00 3.76 -1.26 -5.14 115.29 119.77 2rm4 s HIS 95 Ca 0.58 -0.39 0.11 0.00 -0.15 0.00 0.00 55.06 55.21 2rm4 s HIS 95 Cb -0.46 -1.32 -0.05 0.00 1.11 0.00 0.00 32.58 31.86 2rm4 s HIS 95 CO 0.60 -0.01 -0.23 -0.06 -0.85 0.00 0.00 174.74 174.19 2rm4 s PHE 96 N -0.58 2.26 -0.01 1.40 0.08 -1.26 -5.14 117.98 114.73 2rm4 s PHE 96 Ca 0.09 -0.36 0.05 0.00 0.12 0.00 0.00 56.93 56.83 2rm4 s PHE 96 Cb -0.09 -1.08 -0.03 0.00 -0.57 0.00 0.00 43.02 41.25 2rm4 s PHE 96 CO -0.00 0.54 -0.16 0.45 -0.10 0.00 0.00 175.22 175.95 2rm4 s SER 97 N -2.89 3.93 -0.23 1.36 0.15 -1.26 -5.02 113.70 109.74 2rm4 s SER 97 Ca 0.23 -0.29 0.13 0.00 0.70 0.00 0.00 55.95 56.72 2rm4 s SER 97 Cb -0.07 -0.75 0.51 0.00 -1.71 0.00 0.00 66.02 64.00 2rm4 s SER 97 CO 0.11 0.31 1.43 -0.46 1.20 0.00 0.00 173.24 175.83 2rm4 n ASN 98 N 1.98 3.19 -0.01 5.45 6.94 -1.26 -4.65 115.26 126.90 2rm4 n ASN 98 Ca -0.17 -3.36 0.01 0.00 -0.02 0.00 0.00 54.58 51.04 2rm4 n ASN 98 Cb 0.52 -0.58 0.32 0.00 -2.36 0.00 0.00 39.78 37.67 2rm4 n ASN 98 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2rm4 h ILE 99 N 1.33 1.18 -3.07 1.53 1.08 -2.08 -3.41 117.51 114.08 2rm4 h ILE 99 Ca 0.11 -0.67 -0.60 0.00 -0.39 0.00 0.00 64.86 63.31 2rm4 h ILE 99 Cb 1.54 0.84 -0.05 0.00 -3.07 0.00 0.00 36.82 36.08 2rm4 h ILE 99 CO 0.30 0.24 -0.20 -0.76 -0.69 0.00 0.00 178.15 177.04 2rm4 s LEU 100 N -9.16 4.43 0.00 1.44 1.43 -1.26 -5.38 118.68 110.19 2rm4 s LEU 100 Ca -0.08 0.94 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 2rm4 s LEU 100 Cb 0.16 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.63 2rm4 s LEU 100 CO 0.76 0.27 0.00 0.61 0.23 0.00 0.00 176.35 178.22