#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 1.74 -2.62 4.61 0.00 -2.09 -3.43 119.26 117.46 2rm4 h ALA 0 Ca 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 2rm4 h ALA 0 Cb 0.00 -0.07 -0.18 0.00 0.00 0.00 0.00 17.79 17.54 2rm4 h ALA 0 CO 0.00 0.20 -0.43 -1.64 0.00 0.00 0.00 179.25 177.39 2rm4 s MET 1 N -5.01 0.62 -0.98 0.00 1.00 -1.26 -4.95 119.30 108.72 2rm4 s MET 1 Ca -0.06 -0.55 -0.05 0.00 0.00 0.00 0.00 55.69 55.04 2rm4 s MET 1 Cb 0.16 0.26 -0.06 0.00 0.00 0.00 0.00 34.83 35.19 2rm4 s MET 1 CO 0.71 -0.17 0.87 0.41 0.00 0.00 0.00 175.02 176.84 2rm4 n GLY 2 N 0.96 -1.17 3.51 -0.03 0.00 -1.26 -4.80 105.19 102.40 2rm4 n GLY 2 Ca -0.20 0.56 -0.29 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.92 1.32 -0.49 1.61 -0.04 -1.26 -4.66 135.00 128.55 2rm4 n PRO 3 Ca -0.06 -2.23 0.07 0.00 -0.04 0.00 0.00 63.50 61.25 2rm4 n PRO 3 Cb 0.59 -3.61 0.28 0.00 -0.04 0.00 0.00 33.50 30.72 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 7.71 1.46 -2.71 0.52 -2.24 -1.26 -4.96 114.28 112.81 2rm4 n THR 4 Ca 0.45 -0.91 -0.35 0.00 -2.27 0.00 0.00 64.05 60.97 2rm4 n THR 4 Cb 0.46 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.62 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 -0.78 6.95 0.00 3.42 1.01 -1.26 -4.58 116.67 121.44 2rm4 s ASP 5 Ca 0.39 1.85 0.20 0.00 0.71 0.00 0.00 52.55 55.71 2rm4 s ASP 5 Cb 0.26 -2.57 1.08 0.00 1.01 0.00 0.00 42.92 42.70 2rm4 s ASP 5 CO 0.18 -0.35 1.63 0.00 0.21 0.00 0.00 175.17 176.84 2rm4 n GLN 6 N -0.15 0.40 0.24 8.23 6.02 -1.26 -3.02 117.38 127.83 2rm4 n GLN 6 Ca 0.05 0.07 0.11 0.00 -0.01 0.00 0.00 57.00 57.22 2rm4 n GLN 6 Cb 0.51 -1.50 0.57 0.00 1.02 0.00 0.00 30.24 30.85 2rm4 n GLN 6 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 2rm4 h ASP 7 N 0.00 0.00 1.26 1.08 3.04 -1.98 -2.77 116.42 117.06 2rm4 h ASP 7 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2rm4 h ASP 7 Cb 0.13 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.42 2rm4 h ASP 7 CO 0.00 0.19 0.00 0.79 -2.04 0.00 0.00 179.24 178.18 2rm4 n TRP 8 N -3.50 0.73 -1.68 4.15 5.03 -1.17 -4.89 117.44 116.10 2rm4 n TRP 8 Ca -0.01 0.22 -0.44 0.00 3.03 0.00 0.00 57.50 60.30 2rm4 n TRP 8 Cb 0.35 -0.86 -0.03 0.00 -1.03 0.00 0.00 31.31 29.74 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 -2.10 0.68 -0.71 -0.99 2.08 -1.05 -0.56 119.36 116.71 2rm4 n ILE 9 Ca 0.05 -0.17 0.00 0.00 0.56 0.00 0.00 62.75 63.19 2rm4 n ILE 9 Cb 0.38 -1.59 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 2.55 0.98 3.87 7.39 0.00 0.29 -4.92 105.19 115.35 2rm4 n GLY 10 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.51 3.59 0.09 0.00 0.00 -1.00 -1.77 121.76 120.16 2rm4 s ALA 12 Ca 0.54 -0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.07 2rm4 s ALA 12 Cb -0.10 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 2rm4 s ALA 12 CO 0.33 -0.73 -0.07 0.14 0.00 0.00 0.00 175.76 175.44 2rm4 s VAL 13 N 2.30 0.64 -0.01 0.00 -7.23 -1.03 -0.68 120.40 114.41 2rm4 s VAL 13 Ca 0.25 -1.80 0.08 0.00 -1.81 0.00 0.00 61.98 58.70 2rm4 s VAL 13 Cb -0.16 -1.51 -0.02 0.00 0.56 0.00 0.00 36.38 35.25 2rm4 s VAL 13 CO 0.09 -0.80 -0.24 -0.55 -0.31 0.00 0.00 175.10 173.29 2rm4 s SER 14 N -2.81 3.27 -0.14 4.85 0.15 -0.43 -2.51 113.70 116.07 2rm4 s SER 14 Ca 0.08 -0.45 0.01 0.00 0.70 0.00 0.00 55.95 56.29 2rm4 s SER 14 Cb 0.03 -0.42 0.02 0.00 -1.71 0.00 0.00 66.02 63.94 2rm4 s SER 14 CO -0.04 0.31 -0.16 -0.63 1.20 0.00 0.00 173.24 173.91 2rm4 s ILE 15 N -0.69 1.67 -0.41 6.45 -1.09 -0.48 -2.08 121.20 124.57 2rm4 s ILE 15 Ca 0.11 -0.71 -0.16 0.00 -2.23 0.00 0.00 60.65 57.66 2rm4 s ILE 15 Cb -0.10 -1.54 0.02 0.00 -1.58 0.00 0.00 42.46 39.26 2rm4 s ILE 15 CO 0.00 0.48 0.35 0.00 -1.23 0.00 0.00 174.94 174.54 2rm4 s ALA 16 N 1.29 3.46 0.45 9.38 0.00 -0.72 -2.54 121.76 133.09 2rm4 s ALA 16 Ca 0.02 -1.65 0.03 0.00 0.00 0.00 0.00 51.96 50.35 2rm4 s ALA 16 Cb -0.13 -2.95 0.01 0.00 0.00 0.00 0.00 23.12 20.04 2rm4 s ALA 16 CO -0.08 -1.51 0.65 0.00 0.00 0.00 0.00 175.76 174.82 2rm4 n ASP 18 N -2.05 -1.74 -0.16 0.00 8.00 -1.21 -4.25 116.55 115.15 2rm4 n ASP 18 Ca 0.04 -0.15 0.15 0.00 0.71 0.00 0.00 54.79 55.54 2rm4 n ASP 18 Cb 0.58 -1.25 0.50 0.00 -0.02 0.00 0.00 41.12 40.94 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 -2.66 0.40 0.00 -1.24 4.39 -1.96 0.19 114.58 113.70 2rm4 h GLU 19 Ca -0.61 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 58.98 2rm4 h GLU 19 Cb 1.33 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 2rm4 h GLU 19 CO 0.48 0.27 -0.40 0.28 -1.16 0.00 0.00 179.01 178.48 2rm4 h VAL 20 N 0.41 0.84 0.00 3.13 2.07 -2.00 -3.08 116.25 117.62 2rm4 h VAL 20 Ca 0.36 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 66.17 2rm4 h VAL 20 Cb 0.82 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2rm4 h VAL 20 CO -0.11 0.39 -0.84 0.18 0.02 0.00 0.00 177.57 177.21 2rm4 n LEU 21 N -3.41 0.66 0.00 2.57 4.77 0.60 -5.05 117.00 117.14 2rm4 n LEU 21 Ca 0.01 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2rm4 n LEU 21 Cb 0.58 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2rm4 n LEU 21 CO 0.38 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2rm4 n GLY 22 N 1.34 0.66 3.05 -0.72 0.00 -0.86 -4.83 105.19 103.83 2rm4 n GLY 22 Ca 0.02 -0.75 -0.18 0.00 0.00 0.00 0.00 46.02 45.11 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 0.77 0.11 1.61 1.01 -1.26 -1.92 120.40 120.72 2rm4 s VAL 23 Ca 0.00 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.42 2rm4 s VAL 23 Cb 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 2rm4 s VAL 23 CO 0.00 0.09 -0.08 0.72 0.00 0.00 0.00 175.10 175.83 2rm4 s PHE 24 N -0.47 1.03 0.01 5.22 -0.12 -1.05 -2.14 117.98 120.46 2rm4 s PHE 24 Ca 0.02 -0.80 0.02 0.00 -0.05 0.00 0.00 56.93 56.11 2rm4 s PHE 24 Cb -0.05 -0.56 -0.01 0.00 -0.63 0.00 0.00 43.02 41.77 2rm4 s PHE 24 CO 0.00 -0.05 -0.06 -0.65 -0.05 0.00 0.00 175.22 174.42 2rm4 s GLN 25 N -3.50 0.43 -0.03 1.99 -0.21 -0.14 -1.38 119.66 116.82 2rm4 s GLN 25 Ca 0.11 -0.39 -0.31 0.00 0.02 0.00 0.00 55.36 54.79 2rm4 s GLN 25 Cb 0.02 -0.33 0.13 0.00 1.00 0.00 0.00 33.01 33.83 2rm4 s GLN 25 CO -0.02 0.08 1.31 0.20 -2.12 0.00 0.00 175.29 174.73 2rm4 s GLY 26 N -0.68 -0.42 -0.01 3.09 0.00 -1.04 -1.85 107.32 106.41 2rm4 s GLY 26 Ca -0.03 0.77 -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 -2.95 4.42 0.27 0.66 1.43 -1.25 -2.46 118.68 118.81 2rm4 s LEU 27 Ca 0.14 1.11 -0.29 0.00 -1.03 0.00 0.00 54.13 54.05 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 0.14 1.35 -0.63 0.23 0.00 0.00 176.35 177.40 2rm4 s ILE 28 N -0.30 2.81 -0.12 -0.59 1.01 -0.73 -1.90 121.20 121.38 2rm4 s ILE 28 Ca 0.29 0.73 0.09 0.00 0.00 0.00 0.00 60.65 61.76 2rm4 s ILE 28 Cb -0.18 -3.46 -0.14 0.00 0.01 0.00 0.00 42.46 38.69 2rm4 s ILE 28 CO 0.16 0.14 0.02 1.17 0.00 0.00 0.00 174.94 176.43 2rm4 n LYS 29 N 1.72 1.96 -3.69 2.79 3.00 -0.01 0.11 118.16 124.04 2rm4 n LYS 29 Ca 0.04 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.20 2rm4 n LYS 29 Cb 0.41 -1.29 -0.08 0.00 0.00 0.00 0.00 35.03 34.07 2rm4 n LYS 29 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2rm4 s GLN 30 N -2.28 0.77 -0.01 1.64 -0.21 -1.01 -4.77 119.66 113.79 2rm4 s GLN 30 Ca -0.07 -0.00 0.00 0.00 0.02 0.00 0.00 55.36 55.31 2rm4 s GLN 30 Cb 0.04 0.35 0.01 0.00 1.00 0.00 0.00 33.01 34.41 2rm4 s GLN 30 CO 0.46 -0.22 -0.00 0.42 -2.12 0.00 0.00 175.29 173.83 2rm4 s ILE 31 N -1.18 0.09 0.07 1.08 1.01 -1.26 -1.36 121.20 119.65 2rm4 s ILE 31 Ca -0.12 0.03 -0.09 0.00 0.00 0.00 0.00 60.65 60.47 2rm4 s ILE 31 Cb -0.04 -0.13 -0.00 0.00 0.01 0.00 0.00 42.46 42.30 2rm4 s ILE 31 CO 0.06 0.07 0.18 -0.94 0.00 0.00 0.00 174.94 174.31 2rm4 s SER 32 N 0.41 0.10 0.61 3.58 1.04 -0.80 -4.84 113.70 113.80 2rm4 s SER 32 Ca -0.04 -0.56 0.30 0.00 0.48 0.00 0.00 55.95 56.14 2rm4 s SER 32 Cb -0.06 0.31 1.68 0.00 0.10 0.00 0.00 66.02 68.05 2rm4 s SER 32 CO -0.01 -0.66 2.05 0.00 0.98 0.00 0.00 173.24 175.60 2rm4 h ALA 33 N 3.03 1.74 0.00 5.32 0.00 -1.98 -1.48 119.26 125.89 2rm4 h ALA 33 Ca -0.33 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 2rm4 h ALA 33 Cb 1.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2rm4 h ALA 33 CO 0.54 -0.37 -1.59 -0.85 0.00 0.00 0.00 179.25 176.97 2rm4 n GLU 34 N -3.56 0.64 -3.56 0.00 0.28 -1.26 -4.86 120.64 108.31 2rm4 n GLU 34 Ca 0.02 0.03 -0.14 0.00 -0.16 0.00 0.00 57.16 56.91 2rm4 n GLU 34 Cb 0.39 -1.69 -0.05 0.00 1.43 0.00 0.00 31.44 31.52 2rm4 n GLU 34 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2rm4 s GLU 35 N -3.21 1.06 -0.06 3.44 -1.05 -0.56 -3.46 118.70 114.86 2rm4 s GLU 35 Ca -0.05 -0.27 0.03 0.00 -0.15 0.00 0.00 54.97 54.53 2rm4 s GLU 35 Cb 0.10 0.48 -0.03 0.00 -0.44 0.00 0.00 34.13 34.25 2rm4 s GLU 35 CO 0.84 -0.39 -0.14 0.42 0.95 0.00 0.00 175.26 176.94 2rm4 s ILE 36 N -2.61 3.09 -0.06 1.83 -1.09 -0.90 -1.90 121.20 119.55 2rm4 s ILE 36 Ca -0.04 -0.71 0.03 0.00 -2.23 0.00 0.00 60.65 57.70 2rm4 s ILE 36 Cb -0.00 -2.22 0.00 0.00 -1.58 0.00 0.00 42.46 38.66 2rm4 s ILE 36 CO -0.03 0.59 -0.16 -0.89 -1.23 0.00 0.00 174.94 173.21 2rm4 s THR 37 N -0.66 1.42 0.27 2.92 2.01 -0.46 -2.29 115.64 118.85 2rm4 s THR 37 Ca 0.10 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.45 2rm4 s THR 37 Cb -0.11 -1.25 -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 0.00 174.62 174.71 2rm4 s ILE 38 N 0.37 0.72 0.22 1.82 -4.36 -0.83 -0.83 121.20 118.31 2rm4 s ILE 38 Ca -0.11 -2.00 0.05 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 40.85 2rm4 s ILE 38 CO 0.04 -0.01 -0.06 0.68 0.24 0.00 0.00 174.94 175.83 2rm4 s VAL 39 N -3.64 1.31 -1.37 8.37 -7.23 -0.80 -2.25 120.40 114.80 2rm4 s VAL 39 Ca 0.37 -2.09 -0.05 0.00 -1.81 0.00 0.00 61.98 58.41 2rm4 s VAL 39 Cb 0.08 -2.20 0.03 0.00 0.56 0.00 0.00 36.38 34.85 2rm4 s VAL 39 CO 0.14 -0.46 0.84 0.54 -0.31 0.00 0.00 175.10 175.85 2rm4 n ARG 40 N -0.39 -5.47 -2.26 4.82 5.12 -1.21 -3.79 116.66 113.47 2rm4 n ARG 40 Ca -0.07 0.65 -0.40 0.00 -1.93 0.00 0.00 57.85 56.10 2rm4 n ARG 40 Cb 0.62 -5.38 -0.03 0.00 -1.16 0.00 0.00 32.46 26.52 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 -3.52 3.44 -0.02 7.54 0.00 -1.26 -4.80 121.76 123.14 2rm4 s ALA 41 Ca 0.23 1.10 0.05 0.00 0.00 0.00 0.00 51.96 53.35 2rm4 s ALA 41 Cb -0.11 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 2rm4 s ALA 41 CO 0.80 -0.45 -0.17 -0.06 0.00 0.00 0.00 175.76 175.88 2rm4 s PHE 42 N -1.17 2.60 0.01 0.00 0.40 -0.77 -3.19 117.98 115.87 2rm4 s PHE 42 Ca 0.48 -0.23 0.02 0.00 -0.60 0.00 0.00 56.93 56.60 2rm4 s PHE 42 Cb -0.36 -1.57 -0.01 0.00 0.51 0.00 0.00 43.02 41.59 2rm4 s PHE 42 CO 0.47 0.16 -0.08 0.50 0.70 0.00 0.00 175.22 176.98 2rm4 s ARG 43 N -0.88 0.56 -1.53 0.44 3.52 -0.13 -0.97 118.95 119.97 2rm4 s ARG 43 Ca 0.12 -0.43 -0.13 0.00 -0.13 0.00 0.00 55.73 55.16 2rm4 s ARG 43 Cb -0.10 -0.49 0.08 0.00 -1.56 0.00 0.00 34.95 32.88 2rm4 s ARG 43 CO 0.01 0.12 0.96 0.09 -0.81 0.00 0.00 175.30 175.68 2rm4 n ASN 44 N 2.42 -4.53 -1.60 -2.12 5.03 -0.91 -1.26 115.26 112.30 2rm4 n ASN 44 Ca -0.16 -0.79 -0.19 0.00 0.87 0.00 0.00 54.58 54.31 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 1.37 3.14 7.41 0.00 -1.26 -4.96 105.19 109.20 2rm4 n GLY 45 Ca 0.02 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 0.54 1.61 1.01 -0.39 -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 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.73 2rm4 s VAL 46 CO 0.00 -0.41 1.18 -2.84 0.00 0.00 0.00 175.10 173.03 2rm4 s PRO 47 N -1.73 3.32 0.59 2.72 0.02 -1.26 -0.96 135.00 137.70 2rm4 s PRO 47 Ca -0.12 1.76 -0.15 0.00 0.02 0.00 0.00 61.00 62.51 2rm4 s PRO 47 Cb -0.05 -2.10 -0.04 0.00 0.02 0.00 0.00 34.50 32.33 2rm4 s PRO 47 CO 0.00 -0.91 1.04 -0.51 -0.33 0.00 0.00 177.00 176.30 2rm4 s LEU 48 N -3.67 3.48 0.38 -5.54 1.43 -1.19 -4.77 118.68 108.79 2rm4 s LEU 48 Ca 0.72 1.74 0.10 0.00 -1.03 0.00 0.00 54.13 55.65 2rm4 s LEU 48 Cb -0.28 -4.52 0.86 0.00 0.03 0.00 0.00 46.19 42.28 2rm4 s LEU 48 CO 0.32 -1.08 1.94 0.03 0.23 0.00 0.00 176.35 177.79 2rm4 h ARG 49 N 0.39 0.60 -4.42 1.70 3.08 -1.94 -3.32 114.38 110.47 2rm4 h ARG 49 Ca -0.46 -0.04 -0.72 0.00 0.07 0.00 0.00 59.98 58.83 2rm4 h ARG 49 Cb 1.21 -0.14 -0.26 0.00 0.08 0.00 0.00 29.97 30.86 2rm4 h ARG 49 CO 0.58 0.40 -0.43 0.15 -1.07 0.00 0.00 179.97 179.60 2rm4 s LYS 50 N -5.58 2.72 0.30 0.04 1.02 -1.26 -4.94 119.74 112.04 2rm4 s LYS 50 Ca -0.09 -1.41 0.00 0.00 0.02 0.00 0.00 55.97 54.49 2rm4 s LYS 50 Cb 0.20 -3.87 0.48 0.00 -0.52 0.00 0.00 37.83 34.12 2rm4 s LYS 50 CO 0.77 -0.96 1.89 1.96 -0.92 0.00 0.00 175.35 178.09 2rm4 h GLN 51 N 8.50 0.82 -0.05 1.68 4.20 -1.93 -2.14 115.11 126.19 2rm4 h GLN 51 Ca -0.24 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.34 2rm4 h GLN 51 Cb 1.09 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.73 2rm4 h GLN 51 CO 0.79 0.68 0.00 0.09 -0.67 0.00 0.00 178.83 179.71 2rm4 n ASN 52 N -4.33 0.86 -4.74 1.46 3.02 -1.26 -3.34 115.26 106.93 2rm4 n ASN 52 Ca 0.05 -1.42 -0.41 0.00 -0.03 0.00 0.00 54.58 52.77 2rm4 n ASN 52 Cb 0.17 -0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.27 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 -1.95 3.39 0.06 5.41 0.00 -0.81 -4.83 121.76 123.03 2rm4 s ALA 53 Ca 0.37 0.86 -0.21 0.00 0.00 0.00 0.00 51.96 52.98 2rm4 s ALA 53 Cb 0.19 -3.37 -0.06 0.00 0.00 0.00 0.00 23.12 19.87 2rm4 s ALA 53 CO 0.30 -0.25 0.62 -1.83 0.00 0.00 0.00 175.76 174.59 2rm4 s GLU 54 N -0.44 4.31 -0.25 0.00 -1.05 -1.26 -4.21 118.70 115.80 2rm4 s GLU 54 Ca 0.50 0.81 -0.08 0.00 -0.15 0.00 0.00 54.97 56.05 2rm4 s GLU 54 Cb -0.31 -3.29 -0.04 0.00 -0.44 0.00 0.00 34.13 30.06 2rm4 s GLU 54 CO 0.36 0.51 0.10 0.08 0.95 0.00 0.00 175.26 177.26 2rm4 s VAL 55 N -0.72 4.62 -0.21 1.83 1.01 -0.95 -4.99 120.40 120.98 2rm4 s VAL 55 Ca 0.31 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.23 2rm4 s VAL 55 Cb -0.20 -3.16 0.04 0.00 0.00 0.00 0.00 36.38 33.07 2rm4 s VAL 55 CO 0.20 0.34 -0.11 -0.69 0.00 0.00 0.00 175.10 174.84 2rm4 s VAL 56 N 1.46 1.73 -0.05 2.92 1.01 -1.26 -1.96 120.40 124.25 2rm4 s VAL 56 Ca 0.06 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 60.96 2rm4 s VAL 56 Cb -0.15 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.42 2rm4 s VAL 56 CO 0.05 0.14 -0.13 -0.76 0.00 0.00 0.00 175.10 174.40 2rm4 s LEU 57 N 1.35 1.77 0.36 3.92 1.43 -0.97 -4.97 118.68 121.56 2rm4 s LEU 57 Ca -0.02 -0.29 -0.26 0.00 -1.03 0.00 0.00 54.13 52.53 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 -0.08 0.08 1.07 -0.54 0.23 0.00 0.00 176.35 177.11 2rm4 s LYS 58 N 0.34 4.31 0.48 1.70 1.02 -1.26 -2.12 119.74 124.21 2rm4 s LYS 58 Ca -0.08 1.63 0.21 0.00 0.02 0.00 0.00 55.97 57.75 2rm4 s LYS 58 Cb -0.13 -2.77 1.24 0.00 -0.52 0.00 0.00 37.83 35.66 2rm4 s LYS 58 CO 0.02 -0.04 1.96 0.00 -0.92 0.00 0.00 175.35 176.38 2rm4 h THR 60 N 0.19 0.87 0.00 0.00 1.35 -1.91 -2.21 112.91 111.19 2rm4 h THR 60 Ca 0.30 -0.66 -0.17 0.00 -0.55 0.00 0.00 66.41 65.34 2rm4 h THR 60 Cb 0.93 1.38 -0.03 0.00 -1.73 0.00 0.00 68.15 68.71 2rm4 h THR 60 CO -0.05 0.17 -1.34 0.44 -0.25 0.00 0.00 175.52 174.49 2rm4 h ASP 61 N 0.00 0.00 -3.77 5.36 3.32 -1.28 -3.46 116.42 116.59 2rm4 h ASP 61 Ca -0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 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 0.59 0.28 -0.63 -1.72 0.00 0.00 179.24 177.78 2rm4 s ILE 62 N -2.92 4.28 -0.21 0.35 1.01 -0.70 -3.31 121.20 119.70 2rm4 s ILE 62 Ca -0.02 1.73 0.12 0.00 0.00 0.00 0.00 60.65 62.49 2rm4 s ILE 62 Cb 0.09 -4.03 -0.22 0.00 0.01 0.00 0.00 42.46 38.31 2rm4 s ILE 62 CO 0.81 0.24 -0.02 -1.14 0.00 0.00 0.00 174.94 174.82 2rm4 n ARG 63 N 0.81 0.76 -3.46 2.79 3.00 -0.42 -4.88 116.66 115.25 2rm4 n ARG 63 Ca -0.00 0.04 -0.13 0.00 -0.00 0.00 0.00 57.85 57.75 2rm4 n ARG 63 Cb 0.50 -1.50 -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 -5.71 -0.57 0.02 6.15 1.04 -1.09 -5.04 113.70 108.49 2rm4 s SER 64 Ca -0.17 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2rm4 s SER 64 Cb 0.07 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.73 2rm4 s SER 64 CO 0.73 -0.82 -0.03 -0.63 0.98 0.00 0.00 173.24 173.47 2rm4 s ILE 65 N -2.86 0.12 -0.03 -1.02 1.01 -1.26 -1.76 121.20 115.39 2rm4 s ILE 65 Ca -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.92 2rm4 s ILE 65 Cb -0.01 -0.23 0.03 0.00 0.01 0.00 0.00 42.46 42.26 2rm4 s ILE 65 CO -0.05 -0.38 0.00 1.51 0.00 0.00 0.00 174.94 176.02 2rm4 s ASP 66 N -1.14 0.36 -0.34 3.58 -4.77 -0.89 -5.01 116.67 108.47 2rm4 s ASP 66 Ca -0.12 -0.02 -0.29 0.00 -3.30 0.00 0.00 52.55 48.82 2rm4 s ASP 66 Cb -0.08 -0.19 0.01 0.00 -1.09 0.00 0.00 42.92 41.57 2rm4 s ASP 66 CO -0.01 -0.09 1.26 -0.76 0.70 0.00 0.00 175.17 176.27 2rm4 s LEU 67 N 0.94 3.81 -0.03 2.11 1.43 -1.26 -1.32 118.68 124.36 2rm4 s LEU 67 Ca -0.09 1.02 -0.22 0.00 -1.03 0.00 0.00 54.13 53.81 2rm4 s LEU 67 Cb -0.13 -3.54 -0.28 0.00 0.03 0.00 0.00 46.19 42.27 2rm4 s LEU 67 CO -0.02 -1.13 0.97 0.40 0.23 0.00 0.00 176.35 176.81 2rm4 h ILE 68 N 6.04 1.50 -2.81 -0.59 2.04 -1.23 -3.43 117.51 119.03 2rm4 h ILE 68 Ca -0.25 -2.32 -0.57 0.00 1.00 0.00 0.00 64.86 62.72 2rm4 h ILE 68 Cb 1.09 2.96 -0.40 0.00 -0.74 0.00 0.00 36.82 39.74 2rm4 h ILE 68 CO 1.05 0.66 -0.79 -1.61 0.00 0.00 0.00 178.15 177.46 2rm4 s GLU 69 N -2.75 0.56 0.65 2.37 2.02 -0.81 -5.02 118.70 115.71 2rm4 s GLU 69 Ca -0.14 -1.11 -0.18 0.00 0.02 0.00 0.00 54.97 53.57 2rm4 s GLU 69 Cb 0.02 -1.52 -0.01 0.00 0.10 0.00 0.00 34.13 32.72 2rm4 s GLU 69 CO 0.82 -1.10 1.28 -2.14 0.02 0.00 0.00 175.26 174.13 2rm4 s PRO 70 N 1.42 2.55 0.05 0.39 0.02 -1.26 -2.38 135.00 135.79 2rm4 s PRO 70 Ca 0.13 2.01 -0.10 0.00 0.02 0.00 0.00 61.00 63.07 2rm4 s PRO 70 Cb -0.20 -1.85 -0.05 0.00 0.02 0.00 0.00 34.50 32.41 2rm4 s PRO 70 CO -0.16 -1.59 0.37 0.00 -0.33 0.00 0.00 177.00 175.29 2rm4 s ALA 71 N -1.48 3.75 -0.02 -1.55 0.00 -1.26 -4.91 121.76 116.29 2rm4 s ALA 71 Ca 0.81 -0.41 -0.22 0.00 0.00 0.00 0.00 51.96 52.14 2rm4 s ALA 71 Cb -0.36 -2.23 -0.05 0.00 0.00 0.00 0.00 23.12 20.48 2rm4 s ALA 71 CO 0.40 0.58 0.67 0.15 0.00 0.00 0.00 175.76 177.55 2rm4 s LYS 72 N -1.77 4.40 0.31 0.00 1.02 -1.26 -4.96 119.74 117.49 2rm4 s LYS 72 Ca 0.30 0.85 0.00 0.00 0.02 0.00 0.00 55.97 57.15 2rm4 s LYS 72 Cb -0.14 -3.38 0.51 0.00 -0.52 0.00 0.00 37.83 34.30 2rm4 s LYS 72 CO 0.17 0.24 1.92 1.96 -0.92 0.00 0.00 175.35 178.72 2rm4 h GLN 73 N 6.04 0.85 -0.81 1.68 1.08 -1.97 -2.47 115.11 119.50 2rm4 h GLN 73 Ca -0.43 -0.11 0.01 0.00 -1.45 0.00 0.00 58.65 56.67 2rm4 h GLN 73 Cb 1.20 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 28.43 2rm4 h GLN 73 CO 0.72 0.66 0.54 -0.44 -0.95 0.00 0.00 178.83 179.35 2rm4 h ASP 74 N 0.85 0.93 -3.18 1.46 3.32 -2.05 -3.40 116.42 114.34 2rm4 h ASP 74 Ca 0.21 -0.02 -0.64 0.00 0.02 0.00 0.00 57.03 56.60 2rm4 h ASP 74 Cb 0.08 -0.23 -0.14 0.00 0.22 0.00 0.00 39.33 39.26 2rm4 h ASP 74 CO -0.03 0.67 -0.56 -0.22 -1.72 0.00 0.00 179.24 177.38 2rm4 s LEU 75 N -9.91 3.89 -0.28 1.55 1.98 -0.93 -5.07 118.68 109.91 2rm4 s LEU 75 Ca -0.11 0.17 -0.28 0.00 -2.89 0.00 0.00 54.13 51.01 2rm4 s LEU 75 Cb 0.18 -1.96 0.01 0.00 0.66 0.00 0.00 46.19 45.08 2rm4 s LEU 75 CO 0.79 0.25 1.01 -0.62 -1.89 0.00 0.00 176.35 175.89 2rm4 s ASP 76 N -0.11 6.95 0.49 3.68 2.15 -1.26 -4.46 116.67 124.10 2rm4 s ASP 76 Ca 0.07 1.11 0.14 0.00 0.43 0.00 0.00 52.55 54.30 2rm4 s ASP 76 Cb -0.12 -2.52 1.16 0.00 -0.30 0.00 0.00 42.92 41.14 2rm4 s ASP 76 CO 0.01 -0.75 2.10 1.23 -0.17 0.00 0.00 175.17 177.59 2rm4 h GLY 77 N 9.72 0.19 -7.44 2.66 0.00 -1.91 -3.28 103.07 103.01 2rm4 h GLY 77 Ca -0.21 -0.07 -0.79 0.00 0.00 0.00 0.00 47.33 46.27 2rm4 h GLY 77 CO 0.98 0.06 0.76 1.57 0.00 0.00 0.00 176.54 179.92 2rm4 n HIS 78 N -4.50 4.65 -4.30 5.60 -0.00 -1.26 -4.87 115.22 110.54 2rm4 n HIS 78 Ca 0.01 -3.55 -0.19 0.00 -0.00 0.00 0.00 57.72 53.99 2rm4 n HIS 78 Cb 0.15 -1.74 -0.11 0.00 -0.00 0.00 0.00 29.99 28.29 2rm4 n HIS 78 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 2rm4 s THR 79 N -0.90 1.59 -0.23 3.57 -4.23 -1.24 -5.08 115.64 109.11 2rm4 s THR 79 Ca 0.34 -1.91 -0.16 0.00 -1.18 0.00 0.00 61.69 58.78 2rm4 s THR 79 Cb -0.05 -1.77 -0.11 0.00 1.34 0.00 0.00 72.50 71.91 2rm4 s THR 79 CO -0.03 -0.43 -0.27 0.00 -0.54 0.00 0.00 174.62 173.35 2rm4 n ALA 80 N 0.23 1.01 -0.01 3.99 0.00 -1.26 -4.63 120.51 119.83 2rm4 n ALA 80 Ca -0.13 -0.90 -0.10 0.00 0.00 0.00 0.00 53.44 52.31 2rm4 n ALA 80 Cb 0.58 0.01 -0.04 0.00 0.00 0.00 0.00 19.45 20.00 2rm4 n ALA 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2rm4 h PRO 81 N -1.00 0.04 -7.03 0.00 0.11 -2.03 -3.43 132.00 118.67 2rm4 h PRO 81 Ca -0.42 -0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.15 2rm4 h PRO 81 Cb 1.33 -0.01 0.12 0.00 0.11 0.00 0.00 31.00 32.55 2rm4 h PRO 81 CO -0.25 0.03 0.59 -2.14 -0.21 0.00 0.00 178.00 176.02 2rm4 s PRO 82 N -6.19 3.32 0.72 1.05 0.02 -1.26 -4.96 135.00 127.70 2rm4 s PRO 82 Ca -0.13 2.16 -0.15 0.00 0.02 0.00 0.00 61.00 62.89 2rm4 s PRO 82 Cb 0.08 -2.33 0.03 0.00 0.02 0.00 0.00 34.50 32.31 2rm4 s PRO 82 CO 0.68 -1.02 1.23 -1.25 -0.33 0.00 0.00 177.00 176.30 2rm4 s PRO 83 N -2.81 2.16 0.22 5.54 0.04 -1.26 -4.90 135.00 133.98 2rm4 s PRO 83 Ca 0.69 1.83 -0.32 0.00 0.04 0.00 0.00 61.00 63.24 2rm4 s PRO 83 Cb -0.38 -1.83 -0.12 0.00 0.04 0.00 0.00 34.50 32.21 2rm4 s PRO 83 CO 0.46 -1.84 1.72 1.33 0.04 0.00 0.00 177.00 178.71 2rm4 n VAL 84 N -2.62 0.11 -0.10 -0.36 0.24 -1.26 -4.88 118.33 109.45 2rm4 n VAL 84 Ca 0.14 -0.03 -0.04 0.00 -2.04 0.00 0.00 64.34 62.37 2rm4 n VAL 84 Cb 0.50 -1.99 0.17 0.00 -1.47 0.00 0.00 33.84 31.04 2rm4 n VAL 84 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 2rm4 h VAL 85 N 3.75 1.24 -2.86 3.34 2.07 -1.90 -3.42 116.25 118.48 2rm4 h VAL 85 Ca -0.43 -0.98 -0.55 0.00 0.82 0.00 0.00 66.70 65.56 2rm4 h VAL 85 Cb 1.20 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 2rm4 h VAL 85 CO 0.94 0.35 0.89 0.21 0.02 0.00 0.00 177.57 179.98 2rm4 s ASN 86 N -6.64 6.85 0.21 0.57 3.84 -1.26 -5.01 114.94 113.50 2rm4 s ASN 86 Ca -0.09 2.02 0.02 0.00 0.21 0.00 0.00 52.86 55.02 2rm4 s ASN 86 Cb 0.15 -2.55 -0.05 0.00 -0.55 0.00 0.00 41.25 38.25 2rm4 s ASN 86 CO 0.81 -0.76 0.03 -0.54 -2.79 0.00 0.00 177.10 173.84 2rm4 s LYS 87 N 2.99 1.24 0.48 0.43 1.02 -1.26 -5.13 119.74 119.52 2rm4 s LYS 87 Ca 0.63 -1.63 -0.24 0.00 0.02 0.00 0.00 55.97 54.75 2rm4 s LYS 87 Cb -0.29 -0.33 -0.07 0.00 -0.52 0.00 0.00 37.83 36.62 2rm4 s LYS 87 CO 0.24 -0.18 1.39 -1.25 -0.92 0.00 0.00 175.35 174.64 2rm4 s PRO 88 N -3.94 3.50 -0.34 -1.68 0.04 -1.26 -4.99 135.00 126.32 2rm4 s PRO 88 Ca 0.29 2.33 0.03 0.00 0.04 0.00 0.00 61.00 63.70 2rm4 s PRO 88 Cb 0.07 -2.51 0.10 0.00 0.04 0.00 0.00 34.50 32.19 2rm4 s PRO 88 CO 0.08 -0.94 0.06 0.95 0.04 0.00 0.00 177.00 177.19 2rm4 s THR 89 N -1.25 2.37 0.64 1.26 -4.23 -1.26 -5.10 115.64 108.08 2rm4 s THR 89 Ca 0.65 -2.30 -0.18 0.00 -1.18 0.00 0.00 61.69 58.68 2rm4 s THR 89 Cb -0.42 -2.73 -0.01 0.00 1.34 0.00 0.00 72.50 70.68 2rm4 s THR 89 CO 0.53 -0.59 1.23 -2.16 -0.54 0.00 0.00 174.62 173.09 2rm4 s PRO 90 N 0.93 2.64 0.23 3.99 0.04 -1.26 -4.92 135.00 136.66 2rm4 s PRO 90 Ca 0.10 1.86 -0.08 0.00 0.04 0.00 0.00 61.00 62.93 2rm4 s PRO 90 Cb -0.19 -1.88 0.22 0.00 0.04 0.00 0.00 34.50 32.68 2rm4 s PRO 90 CO -0.08 -1.47 1.90 0.28 0.04 0.00 0.00 177.00 177.67 2rm4 h VAL 91 N 0.47 1.24 -3.53 -0.36 2.07 -2.06 -3.41 116.25 110.67 2rm4 h VAL 91 Ca -0.50 -0.48 -0.53 0.00 0.82 0.00 0.00 66.70 66.01 2rm4 h VAL 91 Cb 1.31 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2rm4 h VAL 91 CO 0.53 0.24 0.24 -0.75 0.02 0.00 0.00 177.57 177.85 2rm4 s LYS 92 N -6.05 4.61 0.35 1.57 2.47 -1.26 -5.02 119.74 116.41 2rm4 s LYS 92 Ca -0.13 1.24 -0.28 0.00 -1.56 0.00 0.00 55.97 55.24 2rm4 s LYS 92 Cb 0.17 -3.33 -0.10 0.00 -1.46 0.00 0.00 37.83 33.11 2rm4 s LYS 92 CO 0.81 0.38 1.30 -1.17 0.16 0.00 0.00 175.35 176.83 2rm4 s LEU 93 N -0.49 4.38 0.53 5.43 2.96 -1.26 -4.95 118.68 125.27 2rm4 s LEU 93 Ca 0.40 2.68 -0.23 0.00 -0.22 0.00 0.00 54.13 56.76 2rm4 s LEU 93 Cb -0.23 -3.71 -0.06 0.00 0.50 0.00 0.00 46.19 42.70 2rm4 s LEU 93 CO 0.27 -0.60 1.38 -2.65 -1.32 0.00 0.00 176.35 173.43 2rm4 n PRO 94 N 0.64 1.83 -4.67 0.98 -0.02 -1.26 -5.02 135.00 127.48 2rm4 n PRO 94 Ca 0.01 0.67 -0.28 0.00 -2.02 0.00 0.00 63.50 61.88 2rm4 n PRO 94 Cb 0.42 -2.59 -0.14 0.00 -0.02 0.00 0.00 33.50 31.17 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 -1.26 2.10 0.52 6.00 3.76 -1.26 -5.02 115.29 120.12 2rm4 s HIS 95 Ca 0.69 -0.40 0.23 0.00 -0.15 0.00 0.00 55.06 55.43 2rm4 s HIS 95 Cb -0.42 -1.22 1.46 0.00 1.11 0.00 0.00 32.58 33.50 2rm4 s HIS 95 CO 0.51 0.16 2.15 0.27 -0.85 0.00 0.00 174.74 176.97 2rm4 h PHE 96 N 4.60 0.00 -4.34 1.40 -0.00 -2.07 -3.41 116.94 113.12 2rm4 h PHE 96 Ca -0.46 0.00 -0.70 0.00 -0.00 0.00 0.00 57.97 56.82 2rm4 h PHE 96 Cb 1.16 0.00 -0.27 0.00 -0.00 0.00 0.00 35.95 36.84 2rm4 h PHE 96 CO 0.52 0.06 -0.85 0.45 -0.00 0.00 0.00 178.31 178.49 2rm4 s SER 97 N -6.57 3.42 -0.25 -0.68 0.15 -1.26 -5.11 113.70 103.40 2rm4 s SER 97 Ca -0.04 -0.40 -0.08 0.00 0.70 0.00 0.00 55.95 56.12 2rm4 s SER 97 Cb 0.15 -0.50 -0.03 0.00 -1.71 0.00 0.00 66.02 63.93 2rm4 s SER 97 CO 0.62 0.31 0.08 0.21 1.20 0.00 0.00 173.24 175.66 2rm4 s ASN 98 N -0.82 5.22 0.32 5.45 3.84 -1.26 -4.97 114.94 122.72 2rm4 s ASN 98 Ca 0.11 -0.19 0.03 0.00 0.21 0.00 0.00 52.86 53.02 2rm4 s ASN 98 Cb -0.10 -1.94 0.56 0.00 -0.55 0.00 0.00 41.25 39.21 2rm4 s ASN 98 CO 0.00 -0.04 1.88 0.40 -2.79 0.00 0.00 177.10 176.56 2rm4 h ILE 99 N 5.53 1.20 -3.01 -5.21 1.08 -1.99 -3.41 117.51 111.69 2rm4 h ILE 99 Ca -0.38 -0.72 -0.61 0.00 -0.39 0.00 0.00 64.86 62.76 2rm4 h ILE 99 Cb 1.18 0.78 -0.05 0.00 -3.07 0.00 0.00 36.82 35.65 2rm4 h ILE 99 CO 0.58 0.26 -0.24 -0.76 -0.69 0.00 0.00 178.15 177.30 2rm4 s LEU 100 N -9.22 4.43 0.00 1.44 1.43 -1.26 -5.34 118.68 110.15 2rm4 s LEU 100 Ca -0.08 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 2rm4 s LEU 100 Cb 0.16 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.71 2rm4 s LEU 100 CO 0.77 0.28 0.47 0.61 0.23 0.00 0.00 176.35 178.72