#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 1.69 -2.59 4.61 0.00 -2.04 -3.45 119.26 117.48 2rm4 h ALA 0 Ca 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2rm4 h ALA 0 Cb 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 17.56 2rm4 h ALA 0 CO 0.00 0.24 -0.25 -1.64 0.00 0.00 0.00 179.25 177.60 2rm4 s MET 1 N -5.05 0.90 -0.03 0.00 1.00 -1.26 -5.07 119.30 109.78 2rm4 s MET 1 Ca -0.06 -0.75 -0.03 0.00 0.00 0.00 0.00 55.69 54.85 2rm4 s MET 1 Cb 0.16 0.38 0.01 0.00 0.00 0.00 0.00 34.83 35.38 2rm4 s MET 1 CO 0.72 -0.31 0.05 0.41 0.00 0.00 0.00 175.02 175.89 2rm4 n GLY 2 N 0.09 -3.76 3.57 -0.03 0.00 -1.26 -4.72 105.19 99.08 2rm4 n GLY 2 Ca -0.16 0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.15 1.63 -0.05 1.61 0.04 -1.26 -3.78 135.00 132.04 2rm4 s PRO 3 Ca -0.06 -0.37 0.16 0.00 0.04 0.00 0.00 61.00 60.76 2rm4 s PRO 3 Cb 0.00 -5.00 0.55 0.00 0.04 0.00 0.00 34.50 30.09 2rm4 s PRO 3 CO 0.16 -4.82 1.44 0.25 0.04 0.00 0.00 177.00 174.07 2rm4 n THR 4 N 8.65 1.16 -2.72 1.26 -2.24 -1.26 -4.92 114.28 114.21 2rm4 n THR 4 Ca 0.43 -0.86 -0.37 0.00 -2.27 0.00 0.00 64.05 60.98 2rm4 n THR 4 Cb 0.46 0.19 -0.06 0.00 -2.10 0.00 0.00 70.33 68.82 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 -0.89 7.16 0.00 3.42 1.01 -1.26 -4.74 116.67 121.36 2rm4 s ASP 5 Ca 0.40 1.89 0.20 0.00 0.71 0.00 0.00 52.55 55.75 2rm4 s ASP 5 Cb 0.24 -2.58 1.08 0.00 1.01 0.00 0.00 42.92 42.67 2rm4 s ASP 5 CO 0.22 -0.20 1.63 0.00 0.21 0.00 0.00 175.17 177.03 2rm4 n GLN 6 N 0.31 0.40 0.21 8.23 6.02 -1.26 -3.18 117.38 128.11 2rm4 n GLN 6 Ca 0.03 0.07 0.07 0.00 -0.01 0.00 0.00 57.00 57.15 2rm4 n GLN 6 Cb 0.50 -1.50 0.48 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 1.18 1.08 3.32 -1.99 -2.78 116.42 117.24 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 0.28 0.00 0.79 -1.72 0.00 0.00 179.24 178.59 2rm4 n TRP 8 N -3.83 0.73 -1.68 4.55 5.03 -1.19 -4.88 117.44 116.16 2rm4 n TRP 8 Ca -0.01 0.23 -0.45 0.00 3.03 0.00 0.00 57.50 60.30 2rm4 n TRP 8 Cb 0.37 -0.88 -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 -2.11 0.54 -0.70 -0.99 2.08 -1.05 -0.60 119.36 116.53 2rm4 n ILE 9 Ca 0.05 -0.14 0.00 0.00 0.56 0.00 0.00 62.75 63.22 2rm4 n ILE 9 Cb 0.36 -1.60 0.00 0.00 -0.75 0.00 0.00 39.64 37.65 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 2.74 0.99 3.86 7.39 0.00 0.30 -4.95 105.19 115.52 2rm4 n GLY 10 Ca 0.13 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 -2.52 3.59 0.09 0.00 0.00 -1.01 -1.80 121.76 120.10 2rm4 s ALA 12 Ca 0.54 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.05 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 0.33 -0.70 -0.07 0.14 0.00 0.00 0.00 175.76 175.46 2rm4 s VAL 13 N 2.23 0.66 -0.02 0.00 -7.23 -1.04 -0.68 120.40 114.33 2rm4 s VAL 13 Ca 0.24 -1.76 0.07 0.00 -1.81 0.00 0.00 61.98 58.72 2rm4 s VAL 13 Cb -0.16 -1.47 -0.02 0.00 0.56 0.00 0.00 36.38 35.30 2rm4 s VAL 13 CO 0.09 -0.77 -0.22 -0.55 -0.31 0.00 0.00 175.10 173.33 2rm4 s SER 14 N -2.74 3.38 -0.14 4.85 0.15 -0.37 -2.56 113.70 116.26 2rm4 s SER 14 Ca 0.07 -0.41 0.01 0.00 0.70 0.00 0.00 55.95 56.33 2rm4 s SER 14 Cb 0.02 -0.49 0.02 0.00 -1.71 0.00 0.00 66.02 63.86 2rm4 s SER 14 CO -0.04 0.32 -0.16 -0.63 1.20 0.00 0.00 173.24 173.93 2rm4 s ILE 15 N -0.69 1.66 -0.42 6.45 -1.09 -0.54 -2.07 121.20 124.50 2rm4 s ILE 15 Ca 0.11 -0.70 -0.16 0.00 -2.23 0.00 0.00 60.65 57.67 2rm4 s ILE 15 Cb -0.10 -1.53 0.02 0.00 -1.58 0.00 0.00 42.46 39.27 2rm4 s ILE 15 CO 0.00 0.47 0.37 0.00 -1.23 0.00 0.00 174.94 174.55 2rm4 s ALA 16 N 1.31 3.46 0.44 9.38 0.00 -0.72 -2.55 121.76 133.07 2rm4 s ALA 16 Ca 0.02 -1.64 0.03 0.00 0.00 0.00 0.00 51.96 50.37 2rm4 s ALA 16 Cb -0.13 -2.97 0.01 0.00 0.00 0.00 0.00 23.12 20.02 2rm4 s ALA 16 CO -0.08 -1.53 0.63 0.00 0.00 0.00 0.00 175.76 174.78 2rm4 n ASP 18 N -2.00 -1.75 -0.14 0.00 2.03 -1.19 -4.24 116.55 109.27 2rm4 n ASP 18 Ca 0.03 -0.14 0.16 0.00 0.52 0.00 0.00 54.79 55.36 2rm4 n ASP 18 Cb 0.58 -1.24 0.53 0.00 -0.72 0.00 0.00 41.12 40.28 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 -2.62 0.34 0.00 -0.67 5.08 -1.95 0.17 114.58 114.93 2rm4 h GLU 19 Ca -0.61 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 57.65 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 0.48 0.23 -0.40 0.28 -1.00 0.00 0.00 179.01 178.60 2rm4 h VAL 20 N 0.35 0.83 0.00 3.13 2.07 -2.00 -3.08 116.25 117.56 2rm4 h VAL 20 Ca 0.35 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 66.17 2rm4 h VAL 20 Cb 0.86 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 2rm4 h VAL 20 CO -0.10 0.39 -0.93 0.18 0.02 0.00 0.00 177.57 177.13 2rm4 n LEU 21 N -3.41 0.70 0.00 2.57 4.77 0.56 -5.06 117.00 117.14 2rm4 n LEU 21 Ca 0.01 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2rm4 n LEU 21 Cb 0.57 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2rm4 n LEU 21 CO 0.37 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2rm4 n GLY 22 N 1.28 0.64 3.06 -0.72 0.00 -0.86 -4.83 105.19 103.76 2rm4 n GLY 22 Ca 0.01 -0.76 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 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 0.81 0.11 1.61 1.01 -1.26 -1.89 120.40 120.79 2rm4 s VAL 23 Ca 0.00 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.44 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 0.13 -0.08 0.72 0.00 0.00 0.00 175.10 175.87 2rm4 s PHE 24 N -0.43 1.02 0.01 5.22 -0.12 -1.06 -2.10 117.98 120.53 2rm4 s PHE 24 Ca 0.02 -0.81 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 -0.05 -0.65 -0.05 0.00 0.00 175.22 174.41 2rm4 s GLN 25 N -3.54 0.41 -0.04 1.99 -0.21 -0.15 -1.47 119.66 116.65 2rm4 s GLN 25 Ca 0.11 -0.36 -0.31 0.00 0.02 0.00 0.00 55.36 54.82 2rm4 s GLN 25 Cb 0.02 -0.32 0.13 0.00 1.00 0.00 0.00 33.01 33.84 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 -0.62 -0.42 -0.00 3.09 0.00 -1.06 -1.93 107.32 106.38 2rm4 s GLY 26 Ca -0.03 0.78 -0.19 0.00 0.00 0.00 0.00 44.72 45.28 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 4.43 0.27 0.66 1.43 -1.25 -2.49 118.68 118.79 2rm4 s LEU 27 Ca 0.14 1.11 -0.29 0.00 -1.03 0.00 0.00 54.13 54.06 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 0.15 1.35 -0.63 0.23 0.00 0.00 176.35 177.41 2rm4 s ILE 28 N -0.38 2.81 -0.12 -0.59 1.01 -0.74 -1.87 121.20 121.32 2rm4 s ILE 28 Ca 0.29 0.74 0.09 0.00 0.00 0.00 0.00 60.65 61.77 2rm4 s ILE 28 Cb -0.18 -3.47 -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 0.00 174.94 176.44 2rm4 n LYS 29 N 1.72 1.95 -3.69 2.79 3.00 -0.04 0.11 118.16 124.00 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 0.80 -0.01 1.64 -0.21 -1.03 -4.76 119.66 113.80 2rm4 s GLN 30 Ca -0.07 -0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.24 2rm4 s GLN 30 Cb 0.04 0.36 0.01 0.00 1.00 0.00 0.00 33.01 34.41 2rm4 s GLN 30 CO 0.46 -0.23 -0.01 0.42 -2.12 0.00 0.00 175.29 173.81 2rm4 s ILE 31 N -1.35 0.09 0.07 1.08 1.01 -1.26 -1.34 121.20 119.50 2rm4 s ILE 31 Ca -0.12 -0.01 -0.08 0.00 0.00 0.00 0.00 60.65 60.43 2rm4 s ILE 31 Cb -0.03 -0.11 -0.00 0.00 0.01 0.00 0.00 42.46 42.32 2rm4 s ILE 31 CO 0.06 0.05 0.18 -0.94 0.00 0.00 0.00 174.94 174.28 2rm4 s SER 32 N 0.21 0.12 0.61 3.58 1.04 -0.76 -4.89 113.70 113.61 2rm4 s SER 32 Ca -0.02 -0.59 0.31 0.00 0.48 0.00 0.00 55.95 56.12 2rm4 s SER 32 Cb -0.03 0.32 1.70 0.00 0.10 0.00 0.00 66.02 68.10 2rm4 s SER 32 CO -0.01 -0.67 2.05 0.00 0.98 0.00 0.00 173.24 175.59 2rm4 h ALA 33 N 2.98 1.69 0.00 5.32 0.00 -1.96 -1.43 119.26 125.86 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 -1.63 0.39 0.00 0.00 0.00 179.25 178.21 2rm4 n GLU 34 N -3.51 0.63 -3.55 0.00 1.02 -1.26 -4.87 120.64 109.10 2rm4 n GLU 34 Ca 0.02 0.15 -0.12 0.00 -0.02 0.00 0.00 57.16 57.18 2rm4 n GLU 34 Cb 0.38 -1.74 -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 1.11 -0.06 3.49 -1.05 -0.54 -3.48 118.70 115.27 2rm4 s GLU 35 Ca -0.05 -0.42 0.03 0.00 -0.15 0.00 0.00 54.97 54.38 2rm4 s GLU 35 Cb 0.09 0.50 -0.02 0.00 -0.44 0.00 0.00 34.13 34.25 2rm4 s GLU 35 CO 0.82 -0.43 -0.14 0.42 0.95 0.00 0.00 175.26 176.88 2rm4 s ILE 36 N -3.14 3.09 -0.07 1.83 -1.09 -0.90 -1.83 121.20 119.09 2rm4 s ILE 36 Ca -0.01 -0.71 0.04 0.00 -2.23 0.00 0.00 60.65 57.74 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 -0.07 0.59 -0.19 -0.89 -1.23 0.00 0.00 174.94 173.14 2rm4 s THR 37 N -0.63 1.63 0.28 2.92 2.01 -0.45 -2.33 115.64 119.06 2rm4 s THR 37 Ca 0.09 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.33 2rm4 s THR 37 Cb -0.11 -1.41 -0.06 0.00 0.01 0.00 0.00 72.50 70.93 2rm4 s THR 37 CO 0.01 0.46 0.07 0.27 -0.69 0.00 0.00 174.62 174.74 2rm4 s ILE 38 N 0.27 0.84 0.23 1.82 -4.36 -0.78 -0.86 121.20 118.37 2rm4 s ILE 38 Ca -0.11 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.33 2rm4 s ILE 38 Cb -0.15 -2.65 -0.05 0.00 1.25 0.00 0.00 42.46 40.86 2rm4 s ILE 38 CO 0.05 -0.05 -0.07 0.68 0.24 0.00 0.00 174.94 175.79 2rm4 s VAL 39 N -3.55 1.47 -1.42 8.37 -7.23 -0.78 -2.16 120.40 115.10 2rm4 s VAL 39 Ca 0.36 -2.12 -0.06 0.00 -1.81 0.00 0.00 61.98 58.35 2rm4 s VAL 39 Cb 0.08 -2.24 0.04 0.00 0.56 0.00 0.00 36.38 34.82 2rm4 s VAL 39 CO 0.14 -0.44 0.79 0.54 -0.31 0.00 0.00 175.10 175.81 2rm4 n ARG 40 N -0.44 -4.95 -2.26 4.82 3.00 -1.17 -3.86 116.66 111.81 2rm4 n ARG 40 Ca -0.07 0.58 -0.40 0.00 -0.01 0.00 0.00 57.85 57.96 2rm4 n ARG 40 Cb 0.62 -5.23 -0.02 0.00 0.00 0.00 0.00 32.46 27.82 2rm4 n ARG 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2rm4 s ALA 41 N -3.54 3.35 -0.04 7.54 0.00 -1.26 -4.81 121.76 122.99 2rm4 s ALA 41 Ca 0.29 1.08 0.05 0.00 0.00 0.00 0.00 51.96 53.38 2rm4 s ALA 41 Cb -0.14 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 2rm4 s ALA 41 CO 0.83 -0.50 -0.19 -0.06 0.00 0.00 0.00 175.76 175.84 2rm4 s PHE 42 N -1.24 2.57 0.02 0.00 0.40 -0.81 -3.21 117.98 115.70 2rm4 s PHE 42 Ca 0.51 -0.26 0.02 0.00 -0.60 0.00 0.00 56.93 56.60 2rm4 s PHE 42 Cb -0.35 -1.58 -0.01 0.00 0.51 0.00 0.00 43.02 41.59 2rm4 s PHE 42 CO 0.45 0.10 -0.08 0.50 0.70 0.00 0.00 175.22 176.90 2rm4 s ARG 43 N -0.68 0.57 -1.52 0.44 3.52 -0.18 -0.98 118.95 120.12 2rm4 s ARG 43 Ca 0.11 -0.47 -0.13 0.00 -0.13 0.00 0.00 55.73 55.11 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 -0.00 0.12 0.94 0.09 -0.81 0.00 0.00 175.30 175.64 2rm4 n ASN 44 N 2.31 -4.33 -1.59 -2.12 5.03 -0.89 -1.29 115.26 112.36 2rm4 n ASN 44 Ca -0.17 -0.80 -0.19 0.00 0.87 0.00 0.00 54.58 54.29 2rm4 n ASN 44 Cb 0.56 -3.83 -0.07 0.00 -1.02 0.00 0.00 39.78 35.42 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 1.41 3.12 7.41 0.00 -1.26 -4.96 105.19 109.23 2rm4 n GLY 45 Ca 0.01 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.75 0.10 0.55 1.61 1.01 -0.41 -5.15 120.40 115.35 2rm4 s VAL 46 Ca 0.00 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 60.98 2rm4 s VAL 46 Cb 0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.70 2rm4 s VAL 46 CO 0.00 -0.45 1.08 -2.84 0.00 0.00 0.00 175.10 172.88 2rm4 s PRO 47 N -1.89 3.42 0.58 2.72 0.02 -1.26 -1.01 135.00 137.58 2rm4 s PRO 47 Ca -0.11 1.38 -0.16 0.00 0.02 0.00 0.00 61.00 62.14 2rm4 s PRO 47 Cb -0.05 -2.04 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 2rm4 s PRO 47 CO -0.01 -0.75 1.05 -0.51 -0.33 0.00 0.00 177.00 176.45 2rm4 s LEU 48 N -4.04 3.52 0.31 -5.54 1.43 -1.20 -4.80 118.68 108.36 2rm4 s LEU 48 Ca 0.68 1.78 0.04 0.00 -1.03 0.00 0.00 54.13 55.59 2rm4 s LEU 48 Cb -0.19 -4.53 0.64 0.00 0.03 0.00 0.00 46.19 42.14 2rm4 s LEU 48 CO 0.29 -1.08 1.86 -0.09 0.23 0.00 0.00 176.35 177.56 2rm4 h ARG 49 N 0.51 0.88 -4.78 1.70 2.43 -1.95 -3.36 114.38 109.80 2rm4 h ARG 49 Ca -0.47 -0.05 -0.67 0.00 -0.81 0.00 0.00 59.98 57.98 2rm4 h ARG 49 Cb 1.22 -0.20 -0.22 0.00 -0.42 0.00 0.00 29.97 30.34 2rm4 h ARG 49 CO 0.58 0.58 -0.56 0.21 -1.51 0.00 0.00 179.97 179.27 2rm4 s LYS 50 N -5.85 3.35 0.32 0.20 2.20 -1.26 -4.96 119.74 113.74 2rm4 s LYS 50 Ca -0.11 -0.71 0.02 0.00 -0.36 0.00 0.00 55.97 54.81 2rm4 s LYS 50 Cb 0.22 -3.57 0.56 0.00 -1.51 0.00 0.00 37.83 33.52 2rm4 s LYS 50 CO 0.80 -0.41 1.89 0.37 -0.36 0.00 0.00 175.35 177.64 2rm4 h GLN 51 N 8.35 0.66 -0.05 4.03 4.15 -1.95 -2.57 115.11 127.74 2rm4 h GLN 51 Ca -0.32 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 58.98 2rm4 h GLN 51 Cb 1.15 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.73 2rm4 h GLN 51 CO 0.61 0.60 0.00 0.09 -1.93 0.00 0.00 178.83 178.21 2rm4 n ASN 52 N -4.31 0.78 -4.74 -0.69 3.02 -1.26 -3.03 115.26 105.03 2rm4 n ASN 52 Ca 0.03 -1.41 -0.41 0.00 -0.03 0.00 0.00 54.58 52.76 2rm4 n ASN 52 Cb 0.20 -0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.31 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 3.42 0.02 5.41 0.00 -0.97 -4.81 121.76 122.89 2rm4 s ALA 53 Ca 0.36 0.93 -0.18 0.00 0.00 0.00 0.00 51.96 53.07 2rm4 s ALA 53 Cb 0.18 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.85 2rm4 s ALA 53 CO 0.29 -0.32 0.51 -1.83 0.00 0.00 0.00 175.76 174.41 2rm4 s GLU 54 N -0.46 4.13 -0.23 0.00 -1.05 -1.26 -4.01 118.70 115.82 2rm4 s GLU 54 Ca 0.51 0.60 -0.07 0.00 -0.15 0.00 0.00 54.97 55.86 2rm4 s GLU 54 Cb -0.32 -3.26 -0.03 0.00 -0.44 0.00 0.00 34.13 30.08 2rm4 s GLU 54 CO 0.37 0.59 0.06 0.08 0.95 0.00 0.00 175.26 177.31 2rm4 s VAL 55 N -0.85 4.34 -0.21 1.83 1.01 -0.92 -4.99 120.40 120.62 2rm4 s VAL 55 Ca 0.27 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.09 2rm4 s VAL 55 Cb -0.18 -3.01 0.05 0.00 0.00 0.00 0.00 36.38 33.24 2rm4 s VAL 55 CO 0.16 0.37 -0.10 -0.69 0.00 0.00 0.00 175.10 174.84 2rm4 s VAL 56 N 1.29 1.75 -0.05 2.92 1.01 -1.26 -1.86 120.40 124.20 2rm4 s VAL 56 Ca 0.05 -1.14 0.03 0.00 0.00 0.00 0.00 61.98 60.92 2rm4 s VAL 56 Cb -0.15 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.40 2rm4 s VAL 56 CO 0.03 0.12 -0.13 -0.76 0.00 0.00 0.00 175.10 174.36 2rm4 s LEU 57 N 1.34 1.79 0.33 3.92 1.43 -0.98 -4.97 118.68 121.54 2rm4 s LEU 57 Ca -0.03 -0.29 -0.27 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 -0.08 0.09 1.07 -0.54 0.23 0.00 0.00 176.35 177.12 2rm4 s LYS 58 N 0.28 4.43 0.48 1.70 1.02 -1.26 -2.12 119.74 124.26 2rm4 s LYS 58 Ca -0.07 1.65 0.20 0.00 0.02 0.00 0.00 55.97 57.77 2rm4 s LYS 58 Cb -0.12 -2.89 1.22 0.00 -0.52 0.00 0.00 37.83 35.51 2rm4 s LYS 58 CO 0.02 0.06 1.97 0.00 -0.92 0.00 0.00 175.35 176.49 2rm4 h THR 60 N 0.21 0.87 0.00 0.00 1.35 -1.91 -1.87 112.91 111.55 2rm4 h THR 60 Ca 0.29 -0.58 -0.13 0.00 -0.55 0.00 0.00 66.41 65.44 2rm4 h THR 60 Cb 0.85 1.34 -0.02 0.00 -1.73 0.00 0.00 68.15 68.59 2rm4 h THR 60 CO -0.05 0.15 -1.22 0.44 -0.25 0.00 0.00 175.52 174.59 2rm4 h ASP 61 N 0.00 0.00 -3.82 5.36 3.32 -1.40 -3.46 116.42 116.41 2rm4 h ASP 61 Ca -0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 2rm4 h ASP 61 Cb 0.32 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 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 4.28 -0.21 0.35 1.01 -0.71 -3.19 121.20 119.72 2rm4 s ILE 62 Ca -0.02 1.71 0.13 0.00 0.00 0.00 0.00 60.65 62.47 2rm4 s ILE 62 Cb 0.09 -3.98 -0.21 0.00 0.01 0.00 0.00 42.46 38.37 2rm4 s ILE 62 CO 0.80 0.15 -0.02 -1.14 0.00 0.00 0.00 174.94 174.73 2rm4 n ARG 63 N 0.58 0.78 -3.47 2.79 3.00 -0.40 -4.90 116.66 115.04 2rm4 n ARG 63 Ca 0.01 0.04 -0.14 0.00 -0.00 0.00 0.00 57.85 57.76 2rm4 n ARG 63 Cb 0.50 -1.50 -0.04 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 -5.69 -0.59 0.01 6.15 1.04 -1.10 -5.04 113.70 108.49 2rm4 s SER 64 Ca -0.17 0.28 -0.00 0.00 0.48 0.00 0.00 55.95 56.54 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 0.72 -0.80 -0.02 -0.63 0.98 0.00 0.00 173.24 173.50 2rm4 s ILE 65 N -2.68 0.09 -0.02 -1.02 1.01 -1.26 -1.75 121.20 115.56 2rm4 s ILE 65 Ca -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.90 2rm4 s ILE 65 Cb -0.01 -0.22 0.02 0.00 0.01 0.00 0.00 42.46 42.27 2rm4 s ILE 65 CO -0.04 -0.40 0.01 1.51 0.00 0.00 0.00 174.94 176.03 2rm4 s ASP 66 N -1.17 0.24 -0.35 3.58 1.47 -0.88 -5.01 116.67 114.56 2rm4 s ASP 66 Ca -0.13 0.00 -0.29 0.00 1.18 0.00 0.00 52.55 53.31 2rm4 s ASP 66 Cb -0.08 -0.13 0.01 0.00 -0.34 0.00 0.00 42.92 42.38 2rm4 s ASP 66 CO -0.01 -0.10 1.26 -0.76 0.68 0.00 0.00 175.17 176.24 2rm4 s LEU 67 N 0.91 3.81 -0.00 2.11 1.43 -1.26 -1.23 118.68 124.44 2rm4 s LEU 67 Ca -0.08 1.01 -0.20 0.00 -1.03 0.00 0.00 54.13 53.83 2rm4 s LEU 67 Cb -0.12 -3.54 -0.27 0.00 0.03 0.00 0.00 46.19 42.29 2rm4 s LEU 67 CO -0.02 -1.13 1.03 0.40 0.23 0.00 0.00 176.35 176.86 2rm4 h ILE 68 N 6.04 1.43 -2.75 -0.59 2.04 -1.23 -3.42 117.51 119.03 2rm4 h ILE 68 Ca -0.25 -2.32 -0.58 0.00 1.00 0.00 0.00 64.86 62.71 2rm4 h ILE 68 Cb 1.09 2.83 -0.39 0.00 -0.74 0.00 0.00 36.82 39.61 2rm4 h ILE 68 CO 1.06 0.67 -0.81 -1.61 0.00 0.00 0.00 178.15 177.46 2rm4 s GLU 69 N -2.89 0.68 0.53 2.37 2.02 -0.82 -5.02 118.70 115.57 2rm4 s GLU 69 Ca -0.13 -1.35 -0.22 0.00 0.02 0.00 0.00 54.97 53.29 2rm4 s GLU 69 Cb 0.03 -1.57 -0.05 0.00 0.10 0.00 0.00 34.13 32.64 2rm4 s GLU 69 CO 0.85 -1.16 1.36 -2.14 0.02 0.00 0.00 175.26 174.19 2rm4 s PRO 70 N 1.10 3.21 0.47 0.39 0.02 -1.26 -2.41 135.00 136.52 2rm4 s PRO 70 Ca 0.16 2.24 0.17 0.00 0.02 0.00 0.00 61.00 63.59 2rm4 s PRO 70 Cb -0.22 -2.30 1.14 0.00 0.02 0.00 0.00 34.50 33.14 2rm4 s PRO 70 CO -0.06 -1.13 2.04 0.00 -0.33 0.00 0.00 177.00 177.51 2rm4 h ALA 71 N 1.56 1.66 -6.04 -1.55 0.00 -1.90 -3.47 119.26 109.53 2rm4 h ALA 71 Ca -0.51 -0.13 -0.41 0.00 0.00 0.00 0.00 54.91 53.86 2rm4 h ALA 71 Cb 1.30 -0.02 0.06 0.00 0.00 0.00 0.00 17.79 19.12 2rm4 h ALA 71 CO 0.58 0.18 -0.79 1.63 0.00 0.00 0.00 179.25 180.85 2rm4 n LYS 72 N -4.22 -5.67 -3.49 0.00 5.02 -1.26 -3.15 118.16 105.39 2rm4 n LYS 72 Ca -0.02 0.68 -0.24 0.00 -2.02 0.00 0.00 58.31 56.70 2rm4 n LYS 72 Cb 0.22 -5.44 0.05 0.00 -0.02 0.00 0.00 35.03 29.84 2rm4 n LYS 72 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2rm4 n GLN 73 N -4.42 -1.64 -0.22 1.97 6.02 -1.26 -4.86 117.38 112.96 2rm4 n GLN 73 Ca -0.19 0.65 0.09 0.00 -0.01 0.00 0.00 57.00 57.54 2rm4 n GLN 73 Cb 0.63 -4.85 0.37 0.00 1.02 0.00 0.00 30.24 27.41 2rm4 n GLN 73 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2rm4 h ASP 74 N -1.51 0.65 -3.60 1.08 3.32 -1.94 -3.38 116.42 111.04 2rm4 h ASP 74 Ca -0.63 0.02 -0.62 0.00 0.02 0.00 0.00 57.03 55.82 2rm4 h ASP 74 Cb 1.33 -0.12 -0.14 0.00 0.22 0.00 0.00 39.33 40.63 2rm4 h ASP 74 CO 0.46 0.38 -0.41 -0.22 -1.72 0.00 0.00 179.24 177.73 2rm4 s LEU 75 N -9.73 4.11 -0.30 1.55 2.96 -1.26 -5.06 118.68 110.94 2rm4 s LEU 75 Ca -0.10 0.21 -0.20 0.00 -0.22 0.00 0.00 54.13 53.83 2rm4 s LEU 75 Cb 0.21 -2.24 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 2rm4 s LEU 75 CO 0.78 -0.00 0.60 -0.62 -1.32 0.00 0.00 176.35 175.79 2rm4 s ASP 76 N 1.18 6.48 0.00 3.68 2.15 -1.26 -5.00 116.67 123.90 2rm4 s ASP 76 Ca 0.11 0.42 0.00 0.00 0.43 0.00 0.00 52.55 53.51 2rm4 s ASP 76 Cb -0.14 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 2rm4 s ASP 76 CO 0.07 -0.45 0.00 0.61 -0.17 0.00 0.00 175.17 175.23 2rm4 n GLY 77 N 4.44 0.47 3.18 2.66 0.00 -1.26 -5.18 105.19 109.49 2rm4 n GLY 77 Ca -0.02 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.00 0.93 -0.06 1.61 3.76 -1.26 -5.16 115.29 113.12 2rm4 s HIS 78 Ca 0.00 -1.05 0.06 0.00 -0.15 0.00 0.00 55.06 53.92 2rm4 s HIS 78 Cb 0.00 -0.55 -0.01 0.00 1.11 0.00 0.00 32.58 33.13 2rm4 s HIS 78 CO 0.00 -0.30 -0.25 0.99 -0.85 0.00 0.00 174.74 174.33 2rm4 s THR 79 N -3.79 2.03 -0.08 1.30 2.01 -1.26 -5.05 115.64 110.79 2rm4 s THR 79 Ca 0.18 -1.05 -0.10 0.00 0.31 0.00 0.00 61.69 61.03 2rm4 s THR 79 Cb 0.07 -1.71 -0.08 0.00 0.01 0.00 0.00 72.50 70.78 2rm4 s THR 79 CO -0.01 0.56 0.38 0.00 -0.69 0.00 0.00 174.62 174.86 2rm4 h ALA 80 N 6.08 -0.16 -2.79 7.40 0.00 -2.08 -3.45 119.26 124.26 2rm4 h ALA 80 Ca -0.32 -0.13 -0.51 0.00 0.00 0.00 0.00 54.91 53.96 2rm4 h ALA 80 Cb 1.18 0.06 0.03 0.00 0.00 0.00 0.00 17.79 19.06 2rm4 h ALA 80 CO 0.47 -0.16 0.51 -1.25 0.00 0.00 0.00 179.25 178.82 2rm4 s PRO 81 N -2.34 4.44 0.50 0.00 0.04 -1.26 -4.99 135.00 131.39 2rm4 s PRO 81 Ca -0.06 1.88 -0.23 0.00 0.04 0.00 0.00 61.00 62.63 2rm4 s PRO 81 Cb -0.00 -3.03 -0.06 0.00 0.04 0.00 0.00 34.50 31.45 2rm4 s PRO 81 CO 0.22 0.01 1.30 -2.14 0.04 0.00 0.00 177.00 176.42 2rm4 s PRO 82 N -1.74 3.44 0.36 0.56 0.02 -1.26 -4.94 135.00 131.44 2rm4 s PRO 82 Ca 0.49 2.09 -0.28 0.00 0.02 0.00 0.00 61.00 63.31 2rm4 s PRO 82 Cb -0.33 -2.37 -0.11 0.00 0.02 0.00 0.00 34.50 31.71 2rm4 s PRO 82 CO 0.42 -0.90 1.52 -2.30 -0.33 0.00 0.00 177.00 175.41 2rm4 n PRO 83 N -0.70 2.69 -0.24 5.54 -0.02 -1.26 -4.90 135.00 136.11 2rm4 n PRO 83 Ca 0.08 0.95 -0.07 0.00 -2.02 0.00 0.00 63.50 62.44 2rm4 n PRO 83 Cb 0.46 -2.69 0.06 0.00 -0.02 0.00 0.00 33.50 31.30 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 3.05 1.26 -0.86 -1.45 2.07 -2.04 -2.98 116.25 115.30 2rm4 h VAL 84 Ca -0.50 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.00 2rm4 h VAL 84 Cb 1.24 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 2rm4 h VAL 84 CO 0.68 0.38 0.43 0.58 0.02 0.00 0.00 177.57 179.66 2rm4 h VAL 85 N 1.05 1.26 -3.21 2.57 2.07 -2.04 -3.41 116.25 114.54 2rm4 h VAL 85 Ca 0.21 -0.70 -0.66 0.00 0.82 0.00 0.00 66.70 66.37 2rm4 h VAL 85 Cb 0.40 0.14 -0.14 0.00 -1.52 0.00 0.00 31.29 30.17 2rm4 h VAL 85 CO 0.01 0.30 -0.59 0.20 0.02 0.00 0.00 177.57 177.51 2rm4 s ASN 86 N -6.26 5.45 0.30 0.57 0.01 -1.13 -5.11 114.94 108.76 2rm4 s ASN 86 Ca -0.13 0.16 0.11 0.00 -0.71 0.00 0.00 52.86 52.30 2rm4 s ASN 86 Cb 0.16 -1.67 -0.05 0.00 0.41 0.00 0.00 41.25 40.10 2rm4 s ASN 86 CO 0.83 0.33 -0.14 -0.54 -1.51 0.00 0.00 177.10 176.07 2rm4 s LYS 87 N -0.60 1.80 0.34 -0.60 1.02 -1.26 -4.33 119.74 116.11 2rm4 s LYS 87 Ca 0.10 -1.77 -0.29 0.00 0.02 0.00 0.00 55.97 54.03 2rm4 s LYS 87 Cb -0.12 -1.80 -0.11 0.00 -0.52 0.00 0.00 37.83 35.28 2rm4 s LYS 87 CO 0.02 0.28 1.53 -2.30 -0.92 0.00 0.00 175.35 173.96 2rm4 n PRO 88 N -0.71 2.70 -2.63 -1.68 -0.02 -1.26 -4.96 135.00 126.44 2rm4 n PRO 88 Ca -0.05 0.95 -0.38 0.00 -2.02 0.00 0.00 63.50 62.00 2rm4 n PRO 88 Cb 0.61 -2.71 -0.05 0.00 -0.02 0.00 0.00 33.50 31.33 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 -0.67 3.88 0.41 3.45 -1.32 -1.26 -4.94 115.64 115.18 2rm4 s THR 89 Ca 0.57 1.58 0.08 0.00 -1.21 0.00 0.00 61.69 62.72 2rm4 s THR 89 Cb -0.48 -3.89 0.23 0.00 -1.51 0.00 0.00 72.50 66.85 2rm4 s THR 89 CO 0.58 0.15 2.01 1.55 -2.21 0.00 0.00 174.62 176.70 2rm4 h PRO 90 N 3.08 0.41 -4.47 7.08 0.13 -2.08 -3.42 132.00 132.73 2rm4 h PRO 90 Ca -0.47 -0.05 -0.34 0.00 -0.87 0.00 0.00 66.00 64.27 2rm4 h PRO 90 Cb 1.20 -0.08 -0.27 0.00 0.13 0.00 0.00 31.00 31.98 2rm4 h PRO 90 CO 0.64 0.35 -0.76 0.54 -0.23 0.00 0.00 178.00 178.55 2rm4 s VAL 91 N -5.20 0.52 -0.04 1.56 0.11 -1.26 -5.13 120.40 110.95 2rm4 s VAL 91 Ca -0.07 -0.41 -0.27 0.00 -2.93 0.00 0.00 61.98 58.31 2rm4 s VAL 91 Cb 0.17 -0.46 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 2rm4 s VAL 91 CO 0.73 0.06 0.84 -0.75 -3.33 0.00 0.00 175.10 172.65 2rm4 s LYS 92 N -0.38 4.49 0.47 1.54 2.20 -1.26 -5.05 119.74 121.75 2rm4 s LYS 92 Ca 0.01 1.14 -0.16 0.00 -0.36 0.00 0.00 55.97 56.60 2rm4 s LYS 92 Cb -0.04 -3.46 -0.08 0.00 -1.51 0.00 0.00 37.83 32.75 2rm4 s LYS 92 CO -0.00 -0.00 0.92 -0.51 -0.36 0.00 0.00 175.35 175.39 2rm4 s LEU 93 N 0.95 3.73 0.61 5.43 1.43 -1.26 -5.02 118.68 124.55 2rm4 s LEU 93 Ca 0.44 1.47 -0.19 0.00 -1.03 0.00 0.00 54.13 54.82 2rm4 s LEU 93 Cb -0.19 -4.38 -0.03 0.00 0.03 0.00 0.00 46.19 41.62 2rm4 s LEU 93 CO 0.23 -0.50 1.30 -2.16 0.23 0.00 0.00 176.35 175.45 2rm4 s PRO 94 N -3.85 2.78 -0.06 1.29 0.04 -1.26 -5.02 135.00 128.92 2rm4 s PRO 94 Ca 0.57 2.09 0.03 0.00 0.04 0.00 0.00 61.00 63.73 2rm4 s PRO 94 Cb -0.10 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 2rm4 s PRO 94 CO 0.28 -1.43 -0.13 -1.01 0.04 0.00 0.00 177.00 174.75 2rm4 s HIS 95 N -1.39 2.73 0.15 0.56 3.76 -1.26 -5.13 115.29 114.72 2rm4 s HIS 95 Ca 0.79 -0.16 0.02 0.00 -0.15 0.00 0.00 55.06 55.56 2rm4 s HIS 95 Cb -0.38 -1.65 -0.04 0.00 1.11 0.00 0.00 32.58 31.62 2rm4 s HIS 95 CO 0.41 0.19 -0.02 -0.59 -0.85 0.00 0.00 174.74 173.87 2rm4 s PHE 96 N -0.69 1.14 -0.17 1.40 -0.71 -1.26 -5.00 117.98 112.70 2rm4 s PHE 96 Ca 0.11 -0.97 -0.02 0.00 -1.04 0.00 0.00 56.93 55.01 2rm4 s PHE 96 Cb -0.11 -0.65 0.01 0.00 -1.21 0.00 0.00 43.02 41.06 2rm4 s PHE 96 CO 0.01 -0.17 0.04 0.43 -1.34 0.00 0.00 175.22 174.19 2rm4 n SER 97 N -0.19 -6.38 -0.21 1.98 7.64 -1.26 -4.84 113.62 110.36 2rm4 n SER 97 Ca -0.08 1.07 0.04 0.00 1.01 0.00 0.00 58.87 60.91 2rm4 n SER 97 Cb 0.62 -3.83 0.29 0.00 -1.01 0.00 0.00 64.21 60.28 2rm4 n SER 97 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 2rm4 h ASN 98 N 3.59 0.78 -4.34 6.43 -0.73 -2.03 -3.41 115.58 115.87 2rm4 h ASN 98 Ca -0.09 -0.01 -0.62 0.00 1.87 0.00 0.00 56.30 57.45 2rm4 h ASN 98 Cb 0.50 -0.18 -0.30 0.00 0.27 0.00 0.00 38.32 38.61 2rm4 h ASN 98 CO 0.05 0.53 -0.86 -0.51 -0.37 0.00 0.00 177.43 176.26 2rm4 s ILE 99 N -5.78 1.71 -0.18 2.57 2.07 -1.26 -5.12 121.20 115.20 2rm4 s ILE 99 Ca -0.10 -0.91 -0.11 0.00 -1.41 0.00 0.00 60.65 58.11 2rm4 s ILE 99 Cb 0.19 -1.43 -0.05 0.00 0.13 0.00 0.00 42.46 41.30 2rm4 s ILE 99 CO 0.78 0.48 0.18 -0.22 -1.91 0.00 0.00 174.94 174.26 2rm4 s LEU 100 N -0.40 4.23 0.00 8.50 2.96 -1.26 -5.21 118.68 127.50 2rm4 s LEU 100 Ca 0.05 0.34 0.00 0.00 -0.22 0.00 0.00 54.13 54.30 2rm4 s LEU 100 Cb -0.09 -2.18 0.00 0.00 0.50 0.00 0.00 46.19 44.41 2rm4 s LEU 100 CO 0.00 0.17 0.00 0.61 -1.32 0.00 0.00 176.35 175.81