#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rm4 s ALA 0 N 0.00 2.90 0.09 4.61 0.00 -1.26 -4.93 121.76 123.16 2rm4 s ALA 0 Ca 0.00 1.25 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 2rm4 s ALA 0 Cb 0.00 -3.52 -0.26 0.00 0.00 0.00 0.00 23.12 19.33 2rm4 s ALA 0 CO 0.00 -1.18 1.17 0.52 0.00 0.00 0.00 175.76 176.27 2rm4 h MET 1 N 1.69 0.20 -2.94 0.00 2.07 -2.10 -3.39 114.93 110.46 2rm4 h MET 1 Ca -0.50 -0.34 -0.61 0.00 -2.07 0.00 0.00 59.70 56.17 2rm4 h MET 1 Cb 1.28 0.13 -0.41 0.00 -1.87 0.00 0.00 31.60 30.73 2rm4 h MET 1 CO 0.58 1.16 -0.67 0.20 1.07 0.00 0.00 176.91 179.25 2rm4 s GLY 2 N -4.68 2.45 0.83 8.32 0.00 -1.26 -5.06 107.32 107.93 2rm4 s GLY 2 Ca -0.03 -3.43 -0.13 0.00 0.00 0.00 0.00 44.72 41.13 2rm4 s GLY 2 CO 0.87 1.33 0.97 -1.55 0.00 0.00 0.00 173.10 174.71 2rm4 n PRO 3 N 2.33 0.06 -0.88 2.90 -0.04 -1.26 -4.90 135.00 133.20 2rm4 n PRO 3 Ca 0.20 0.09 -0.05 0.00 -0.04 0.00 0.00 63.50 63.70 2rm4 n PRO 3 Cb 0.37 -2.24 0.27 0.00 -0.04 0.00 0.00 33.50 31.86 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 -3.31 2.58 -1.66 0.52 -2.24 -1.26 -4.94 114.28 103.97 2rm4 n THR 4 Ca 0.12 -1.37 -0.31 0.00 -2.27 0.00 0.00 64.05 60.21 2rm4 n THR 4 Cb 0.51 -0.41 0.04 0.00 -2.10 0.00 0.00 70.33 68.37 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 5.60 0.00 3.42 1.11 -1.26 -4.91 116.67 119.85 2rm4 s ASP 5 Ca 0.47 1.58 0.19 0.00 0.18 0.00 0.00 52.55 54.97 2rm4 s ASP 5 Cb 0.38 -2.49 1.02 0.00 1.07 0.00 0.00 42.92 42.90 2rm4 s ASP 5 CO 0.12 -1.30 1.56 0.00 1.18 0.00 0.00 175.17 176.74 2rm4 n GLN 6 N -3.01 0.39 0.29 8.23 6.02 -1.26 -2.89 117.38 125.14 2rm4 n GLN 6 Ca 0.07 0.07 0.17 0.00 -0.01 0.00 0.00 57.00 57.30 2rm4 n GLN 6 Cb 0.54 -1.50 0.83 0.00 1.02 0.00 0.00 30.24 31.12 2rm4 n GLN 6 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 2rm4 h ASP 7 N 0.00 0.00 1.16 1.08 1.82 -1.97 -2.46 116.42 116.05 2rm4 h ASP 7 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2rm4 h ASP 7 Cb 0.11 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.12 2rm4 h ASP 7 CO 0.00 0.05 0.00 0.79 -1.61 0.00 0.00 179.24 178.47 2rm4 n TRP 8 N -3.27 0.73 -1.68 0.28 5.03 -1.14 -4.80 117.44 112.58 2rm4 n TRP 8 Ca -0.01 0.24 -0.45 0.00 3.03 0.00 0.00 57.50 60.30 2rm4 n TRP 8 Cb 0.23 -0.88 -0.04 0.00 -1.03 0.00 0.00 31.31 29.59 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 -2.12 0.13 -0.71 -0.99 2.08 -0.93 0.38 119.36 117.19 2rm4 n ILE 9 Ca 0.05 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.33 2rm4 n ILE 9 Cb 0.35 -1.71 0.00 0.00 -0.75 0.00 0.00 39.64 37.53 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 3.72 0.98 3.86 7.39 0.00 0.30 -4.86 105.19 116.59 2rm4 n GLY 10 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.59 3.56 0.08 0.00 0.00 -1.00 -1.89 121.76 119.91 2rm4 s ALA 12 Ca 0.55 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.73 2rm4 s ALA 12 Cb -0.10 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.21 2rm4 s ALA 12 CO 0.34 -0.74 -0.08 0.14 0.00 0.00 0.00 175.76 175.43 2rm4 s VAL 13 N 2.15 0.67 -0.04 0.00 -7.23 -1.07 -0.26 120.40 114.62 2rm4 s VAL 13 Ca 0.16 -1.55 0.07 0.00 -1.81 0.00 0.00 61.98 58.85 2rm4 s VAL 13 Cb -0.16 -1.21 -0.02 0.00 0.56 0.00 0.00 36.38 35.56 2rm4 s VAL 13 CO 0.10 -0.63 -0.25 -0.55 -0.31 0.00 0.00 175.10 173.45 2rm4 s SER 14 N -2.38 3.03 -0.17 4.85 0.15 -0.26 -2.53 113.70 116.39 2rm4 s SER 14 Ca 0.02 -0.48 0.01 0.00 0.70 0.00 0.00 55.95 56.20 2rm4 s SER 14 Cb -0.02 -0.54 0.01 0.00 -1.71 0.00 0.00 66.02 63.76 2rm4 s SER 14 CO -0.02 0.29 -0.19 -0.63 1.20 0.00 0.00 173.24 173.88 2rm4 s ILE 15 N -0.42 2.18 -0.40 6.45 -1.09 -0.33 -1.94 121.20 125.65 2rm4 s ILE 15 Ca 0.04 -0.91 -0.15 0.00 -2.23 0.00 0.00 60.65 57.40 2rm4 s ILE 15 Cb -0.11 -1.91 0.02 0.00 -1.58 0.00 0.00 42.46 38.87 2rm4 s ILE 15 CO 0.01 0.53 0.29 0.00 -1.23 0.00 0.00 174.94 174.55 2rm4 s ALA 16 N 1.15 3.48 0.44 9.38 0.00 -0.69 -2.44 121.76 133.08 2rm4 s ALA 16 Ca 0.01 -1.68 0.03 0.00 0.00 0.00 0.00 51.96 50.32 2rm4 s ALA 16 Cb -0.14 -2.87 0.01 0.00 0.00 0.00 0.00 23.12 20.12 2rm4 s ALA 16 CO -0.09 -1.41 0.62 0.00 0.00 0.00 0.00 175.76 174.88 2rm4 n ASP 18 N -1.98 -2.08 -0.16 0.00 8.00 -1.25 -4.27 116.55 114.80 2rm4 n ASP 18 Ca 0.03 -0.24 0.14 0.00 0.71 0.00 0.00 54.79 55.44 2rm4 n ASP 18 Cb 0.58 -1.20 0.49 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 -2.75 0.44 0.00 -1.24 5.08 -1.98 0.13 114.58 114.25 2rm4 h GLU 19 Ca -0.62 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 57.63 2rm4 h GLU 19 Cb 1.34 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2rm4 h GLU 19 CO 0.48 0.29 -0.40 0.28 -1.00 0.00 0.00 179.01 178.66 2rm4 h VAL 20 N 0.45 0.83 0.00 3.13 2.07 -2.02 -3.11 116.25 117.60 2rm4 h VAL 20 Ca 0.36 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 66.18 2rm4 h VAL 20 Cb 0.78 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 2rm4 h VAL 20 CO -0.12 0.39 -0.83 0.18 0.02 0.00 0.00 177.57 177.21 2rm4 n LEU 21 N -3.40 0.66 0.00 2.57 4.77 0.40 -5.06 117.00 116.94 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 0.57 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2rm4 n LEU 21 CO 0.37 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2rm4 n GLY 22 N 1.34 0.44 3.01 -0.72 0.00 -0.95 -4.84 105.19 103.48 2rm4 n GLY 22 Ca 0.02 -0.87 -0.17 0.00 0.00 0.00 0.00 46.02 45.00 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 0.63 0.11 1.61 1.01 -1.26 -2.07 120.40 120.43 2rm4 s VAL 23 Ca 0.00 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.60 2rm4 s VAL 23 Cb 0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 2rm4 s VAL 23 CO 0.00 0.12 -0.11 0.72 0.00 0.00 0.00 175.10 175.83 2rm4 s PHE 24 N -0.31 1.17 0.02 5.22 -0.12 -1.02 -2.43 117.98 120.51 2rm4 s PHE 24 Ca 0.02 -0.67 0.01 0.00 -0.05 0.00 0.00 56.93 56.24 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 0.00 175.22 174.52 2rm4 s GLN 25 N -3.04 0.29 -0.04 1.99 -0.21 -0.17 -1.19 119.66 117.30 2rm4 s GLN 25 Ca 0.09 -0.43 -0.31 0.00 0.02 0.00 0.00 55.36 54.72 2rm4 s GLN 25 Cb -0.02 -0.07 0.13 0.00 1.00 0.00 0.00 33.01 34.05 2rm4 s GLN 25 CO 0.01 0.00 1.31 0.20 -2.12 0.00 0.00 175.29 174.69 2rm4 s GLY 26 N -0.95 -0.42 -0.04 3.09 0.00 -1.05 -1.65 107.32 106.30 2rm4 s GLY 26 Ca -0.08 0.78 -0.20 0.00 0.00 0.00 0.00 44.72 45.22 2rm4 s GLY 26 CO -0.00 0.15 0.56 1.08 0.00 0.00 0.00 173.10 174.88 2rm4 s LEU 27 N -2.95 4.38 0.27 0.66 1.43 -1.25 -2.60 118.68 118.62 2rm4 s LEU 27 Ca 0.14 1.06 -0.29 0.00 -1.03 0.00 0.00 54.13 54.01 2rm4 s LEU 27 Cb 0.05 -2.85 -0.10 0.00 0.03 0.00 0.00 46.19 43.33 2rm4 s LEU 27 CO -0.04 0.08 1.32 -0.63 0.23 0.00 0.00 176.35 177.31 2rm4 s ILE 28 N 0.00 2.90 -0.07 -0.59 1.01 -0.79 -2.17 121.20 121.49 2rm4 s ILE 28 Ca 0.30 0.82 0.08 0.00 0.00 0.00 0.00 60.65 61.85 2rm4 s ILE 28 Cb -0.17 -3.52 -0.12 0.00 0.01 0.00 0.00 42.46 38.65 2rm4 s ILE 28 CO 0.15 0.16 0.07 1.17 0.00 0.00 0.00 174.94 176.49 2rm4 n LYS 29 N 1.72 2.03 -3.73 2.79 4.81 -0.62 0.11 118.16 125.27 2rm4 n LYS 29 Ca 0.03 -0.02 -0.14 0.00 -0.87 0.00 0.00 58.31 57.31 2rm4 n LYS 29 Cb 0.42 -1.23 -0.09 0.00 0.02 0.00 0.00 35.03 34.15 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 -2.32 0.64 -0.01 1.64 -0.21 -1.08 -4.80 119.66 113.52 2rm4 s GLN 30 Ca -0.04 0.06 -0.00 0.00 0.02 0.00 0.00 55.36 55.39 2rm4 s GLN 30 Cb 0.03 0.29 0.01 0.00 1.00 0.00 0.00 33.01 34.35 2rm4 s GLN 30 CO 0.38 -0.16 0.02 0.42 -2.12 0.00 0.00 175.29 173.83 2rm4 s ILE 31 N -0.87 -0.01 0.07 1.08 1.01 -1.26 -1.54 121.20 119.67 2rm4 s ILE 31 Ca -0.09 0.05 -0.08 0.00 0.00 0.00 0.00 60.65 60.52 2rm4 s ILE 31 Cb -0.04 -0.04 -0.00 0.00 0.01 0.00 0.00 42.46 42.39 2rm4 s ILE 31 CO 0.04 0.02 0.17 -0.94 0.00 0.00 0.00 174.94 174.22 2rm4 s SER 32 N 0.24 0.14 0.61 3.58 1.04 -0.74 -5.00 113.70 113.56 2rm4 s SER 32 Ca -0.02 -0.62 0.31 0.00 0.48 0.00 0.00 55.95 56.10 2rm4 s SER 32 Cb -0.03 0.31 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 2.97 1.69 0.00 5.32 0.00 -2.02 -1.43 119.26 125.79 2rm4 h ALA 33 Ca -0.34 -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 -1.65 0.39 0.00 0.00 0.00 179.25 178.19 2rm4 n GLU 34 N -3.51 0.64 -3.56 0.00 -0.58 -1.26 -4.85 120.64 107.52 2rm4 n GLU 34 Ca 0.02 0.14 -0.13 0.00 -0.42 0.00 0.00 57.16 56.77 2rm4 n GLU 34 Cb 0.37 -1.73 -0.05 0.00 -0.57 0.00 0.00 31.44 29.47 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 -2.90 1.09 -0.03 3.49 -1.05 -0.54 -3.44 118.70 115.32 2rm4 s GLU 35 Ca -0.05 -0.38 0.05 0.00 -0.15 0.00 0.00 54.97 54.45 2rm4 s GLU 35 Cb 0.09 0.49 -0.03 0.00 -0.44 0.00 0.00 34.13 34.25 2rm4 s GLU 35 CO 0.83 -0.42 -0.17 0.42 0.95 0.00 0.00 175.26 176.87 2rm4 s ILE 36 N -2.97 2.82 -0.07 1.83 -1.09 -0.91 -1.79 121.20 119.01 2rm4 s ILE 36 Ca -0.02 -0.85 0.03 0.00 -2.23 0.00 0.00 60.65 57.57 2rm4 s ILE 36 Cb -0.00 -2.09 0.01 0.00 -1.58 0.00 0.00 42.46 38.80 2rm4 s ILE 36 CO -0.06 0.56 -0.16 -0.89 -1.23 0.00 0.00 174.94 173.16 2rm4 s THR 37 N -0.72 1.42 0.23 2.92 2.01 -0.59 -2.40 115.64 118.52 2rm4 s THR 37 Ca 0.11 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.48 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 0.05 0.27 -0.69 0.00 0.00 174.62 174.68 2rm4 s ILE 38 N 0.49 0.69 0.26 1.82 -4.36 -0.83 -1.59 121.20 117.68 2rm4 s ILE 38 Ca -0.14 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.32 2rm4 s ILE 38 Cb -0.16 -2.46 -0.05 0.00 1.25 0.00 0.00 42.46 41.04 2rm4 s ILE 38 CO 0.05 -0.18 -0.09 0.68 0.24 0.00 0.00 174.94 175.64 2rm4 s VAL 39 N -3.66 1.71 -1.19 8.37 -7.23 -0.92 -2.08 120.40 115.39 2rm4 s VAL 39 Ca 0.33 -2.16 -0.03 0.00 -1.81 0.00 0.00 61.98 58.30 2rm4 s VAL 39 Cb 0.07 -2.35 -0.02 0.00 0.56 0.00 0.00 36.38 34.64 2rm4 s VAL 39 CO 0.10 -0.37 0.86 0.54 -0.31 0.00 0.00 175.10 175.93 2rm4 n ARG 40 N -0.54 -4.54 -2.21 4.82 5.12 -0.99 -3.80 116.66 114.53 2rm4 n ARG 40 Ca -0.06 0.74 -0.41 0.00 -1.93 0.00 0.00 57.85 56.19 2rm4 n ARG 40 Cb 0.62 -5.47 -0.03 0.00 -1.16 0.00 0.00 32.46 26.42 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 -3.48 3.50 -0.05 7.54 0.00 -1.26 -4.76 121.76 123.25 2rm4 s ALA 41 Ca 0.15 1.14 0.04 0.00 0.00 0.00 0.00 51.96 53.29 2rm4 s ALA 41 Cb -0.03 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 2rm4 s ALA 41 CO 0.77 -0.52 -0.15 -0.06 0.00 0.00 0.00 175.76 175.79 2rm4 s PHE 42 N -0.59 2.67 0.00 0.00 0.40 -0.66 -3.12 117.98 116.69 2rm4 s PHE 42 Ca 0.52 -0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.65 2rm4 s PHE 42 Cb -0.37 -1.63 -0.01 0.00 0.51 0.00 0.00 43.02 41.52 2rm4 s PHE 42 CO 0.45 0.14 -0.07 0.50 0.70 0.00 0.00 175.22 176.94 2rm4 s ARG 43 N -0.65 0.55 -1.52 0.44 3.52 -0.32 -1.00 118.95 119.97 2rm4 s ARG 43 Ca 0.10 -0.31 -0.13 0.00 -0.13 0.00 0.00 55.73 55.26 2rm4 s ARG 43 Cb -0.11 -0.51 0.08 0.00 -1.56 0.00 0.00 34.95 32.85 2rm4 s ARG 43 CO 0.01 0.14 0.95 0.09 -0.81 0.00 0.00 175.30 175.68 2rm4 n ASN 44 N 2.72 -4.44 -1.60 -2.12 5.03 -1.02 -1.32 115.26 112.51 2rm4 n ASN 44 Ca -0.14 -0.79 -0.19 0.00 0.87 0.00 0.00 54.58 54.33 2rm4 n ASN 44 Cb 0.57 -3.87 -0.07 0.00 -1.02 0.00 0.00 39.78 35.40 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 1.36 3.10 7.41 0.00 -1.26 -4.96 105.19 109.15 2rm4 n GLY 45 Ca 0.01 -0.10 -0.10 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 0.11 0.44 1.61 1.01 -0.44 -5.15 120.40 115.23 2rm4 s VAL 46 Ca 0.00 -0.87 -0.23 0.00 0.00 0.00 0.00 61.98 60.88 2rm4 s VAL 46 Cb 0.00 -0.59 -0.08 0.00 0.00 0.00 0.00 36.38 35.71 2rm4 s VAL 46 CO 0.00 -0.48 1.13 -2.84 0.00 0.00 0.00 175.10 172.91 2rm4 s PRO 47 N -1.86 3.87 0.55 2.72 0.02 -1.26 -1.18 135.00 137.86 2rm4 s PRO 47 Ca -0.11 1.70 -0.17 0.00 0.02 0.00 0.00 61.00 62.44 2rm4 s PRO 47 Cb -0.05 -2.44 -0.06 0.00 0.02 0.00 0.00 34.50 31.96 2rm4 s PRO 47 CO -0.01 -0.44 1.02 -0.51 -0.33 0.00 0.00 177.00 176.73 2rm4 s LEU 48 N -2.92 3.59 0.33 -5.54 1.43 -1.18 -4.82 118.68 109.56 2rm4 s LEU 48 Ca 0.62 1.71 0.05 0.00 -1.03 0.00 0.00 54.13 55.48 2rm4 s LEU 48 Cb -0.27 -4.52 0.70 0.00 0.03 0.00 0.00 46.19 42.13 2rm4 s LEU 48 CO 0.33 -0.85 1.87 -0.09 0.23 0.00 0.00 176.35 177.83 2rm4 h ARG 49 N 0.78 0.80 -4.59 1.70 2.43 -1.95 -3.33 114.38 110.22 2rm4 h ARG 49 Ca -0.47 -0.05 -0.70 0.00 -0.81 0.00 0.00 59.98 57.95 2rm4 h ARG 49 Cb 1.20 -0.18 -0.31 0.00 -0.42 0.00 0.00 29.97 30.26 2rm4 h ARG 49 CO 0.59 0.53 -0.58 0.15 -1.51 0.00 0.00 179.97 179.16 2rm4 s LYS 50 N -5.79 2.38 0.44 0.20 1.02 -1.26 -4.94 119.74 111.79 2rm4 s LYS 50 Ca -0.11 -1.46 0.12 0.00 0.02 0.00 0.00 55.97 54.54 2rm4 s LYS 50 Cb 0.22 -3.51 0.97 0.00 -0.52 0.00 0.00 37.83 34.99 2rm4 s LYS 50 CO 0.79 -0.85 2.01 1.96 -0.92 0.00 0.00 175.35 178.35 2rm4 h GLN 51 N 8.16 0.14 0.00 1.68 1.08 -1.92 -2.46 115.11 121.79 2rm4 h GLN 51 Ca -0.19 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 2rm4 h GLN 51 Cb 1.07 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 2rm4 h GLN 51 CO 0.65 0.23 0.00 -0.91 -0.95 0.00 0.00 178.83 177.85 2rm4 h ASN 52 N 0.14 0.00 -3.54 1.46 2.35 -1.94 -2.62 115.58 111.43 2rm4 h ASN 52 Ca 0.03 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.26 2rm4 h ASN 52 Cb 0.23 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.62 2rm4 h ASN 52 CO 0.01 0.00 0.55 0.00 -1.65 0.00 0.00 177.43 176.35 2rm4 s ALA 53 N -3.42 3.44 0.16 -0.83 0.00 -0.93 -4.80 121.76 115.38 2rm4 s ALA 53 Ca 0.04 0.96 -0.07 0.00 0.00 0.00 0.00 51.96 52.89 2rm4 s ALA 53 Cb 0.09 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.74 2rm4 s ALA 53 CO 0.49 -0.36 0.43 -1.83 0.00 0.00 0.00 175.76 174.49 2rm4 s GLU 54 N -0.46 3.69 -0.23 0.00 -1.05 -1.26 -4.24 118.70 115.16 2rm4 s GLU 54 Ca 0.52 0.06 -0.08 0.00 -0.15 0.00 0.00 54.97 55.32 2rm4 s GLU 54 Cb -0.33 -2.81 -0.04 0.00 -0.44 0.00 0.00 34.13 30.51 2rm4 s GLU 54 CO 0.38 0.44 0.08 0.08 0.95 0.00 0.00 175.26 177.19 2rm4 s VAL 55 N -1.66 4.60 -0.23 1.83 1.01 -0.89 -4.98 120.40 120.09 2rm4 s VAL 55 Ca 0.42 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.33 2rm4 s VAL 55 Cb -0.12 -3.13 0.05 0.00 0.00 0.00 0.00 36.38 33.18 2rm4 s VAL 55 CO 0.23 0.37 -0.09 -0.69 0.00 0.00 0.00 175.10 174.92 2rm4 s VAL 56 N 1.19 1.75 -0.01 2.92 1.01 -1.26 -1.96 120.40 124.03 2rm4 s VAL 56 Ca 0.05 -1.24 0.04 0.00 0.00 0.00 0.00 61.98 60.83 2rm4 s VAL 56 Cb -0.14 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 2rm4 s VAL 56 CO 0.04 0.03 -0.15 -0.76 0.00 0.00 0.00 175.10 174.26 2rm4 s LEU 57 N 1.32 2.02 0.25 3.92 1.43 -1.01 -4.95 118.68 121.65 2rm4 s LEU 57 Ca -0.05 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.49 2rm4 s LEU 57 Cb -0.18 -0.76 -0.09 0.00 0.03 0.00 0.00 46.19 45.19 2rm4 s LEU 57 CO -0.07 0.18 1.10 -0.54 0.23 0.00 0.00 176.35 177.26 2rm4 s LYS 58 N -0.32 4.62 0.48 1.70 1.02 -1.26 -2.14 119.74 123.84 2rm4 s LYS 58 Ca 0.05 1.79 0.20 0.00 0.02 0.00 0.00 55.97 58.02 2rm4 s LYS 58 Cb -0.06 -3.22 1.21 0.00 -0.52 0.00 0.00 37.83 35.25 2rm4 s LYS 58 CO -0.00 0.16 1.97 0.00 -0.92 0.00 0.00 175.35 176.56 2rm4 h THR 60 N 0.21 0.71 0.00 0.00 1.35 -1.91 -1.84 112.91 111.43 2rm4 h THR 60 Ca 0.29 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2rm4 h THR 60 Cb 0.84 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2rm4 h THR 60 CO -0.05 0.14 -0.92 0.44 -0.25 0.00 0.00 175.52 174.87 2rm4 h ASP 61 N 0.00 0.00 -3.89 5.36 3.32 -1.54 -3.46 116.42 116.21 2rm4 h ASP 61 Ca -0.00 -0.01 -0.47 0.00 0.02 0.00 0.00 57.03 56.57 2rm4 h ASP 61 Cb 0.34 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2rm4 h ASP 61 CO 0.02 0.00 0.33 -0.63 -1.72 0.00 0.00 179.24 177.24 2rm4 s ILE 62 N -3.35 4.26 -0.22 0.35 1.01 -0.69 -3.97 121.20 118.59 2rm4 s ILE 62 Ca 0.00 1.75 0.13 0.00 0.00 0.00 0.00 60.65 62.53 2rm4 s ILE 62 Cb 0.09 -3.95 -0.23 0.00 0.01 0.00 0.00 42.46 38.39 2rm4 s ILE 62 CO 0.78 0.08 -0.01 -1.14 0.00 0.00 0.00 174.94 174.65 2rm4 n ARG 63 N 0.41 0.68 -3.46 2.79 3.00 -0.56 -4.93 116.66 114.59 2rm4 n ARG 63 Ca 0.02 0.05 -0.14 0.00 -0.00 0.00 0.00 57.85 57.78 2rm4 n ARG 63 Cb 0.51 -1.53 -0.03 0.00 0.00 0.00 0.00 32.46 31.41 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 -5.82 -0.60 0.01 6.15 1.04 -1.07 -5.05 113.70 108.36 2rm4 s SER 64 Ca -0.18 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.50 2rm4 s SER 64 Cb 0.07 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.76 2rm4 s SER 64 CO 0.76 -0.84 -0.02 -0.63 0.98 0.00 0.00 173.24 173.49 2rm4 s ILE 65 N -2.87 0.06 -0.05 -1.02 1.01 -1.26 -1.70 121.20 115.38 2rm4 s ILE 65 Ca -0.03 -0.47 -0.02 0.00 0.00 0.00 0.00 60.65 60.13 2rm4 s ILE 65 Cb -0.01 -0.14 0.03 0.00 0.01 0.00 0.00 42.46 42.35 2rm4 s ILE 65 CO -0.05 -0.26 0.04 1.51 0.00 0.00 0.00 174.94 176.19 2rm4 s ASP 66 N -0.75 1.26 -0.35 3.58 -4.77 -0.82 -5.00 116.67 109.81 2rm4 s ASP 66 Ca -0.08 0.04 -0.29 0.00 -3.30 0.00 0.00 52.55 48.91 2rm4 s ASP 66 Cb -0.05 -0.22 0.01 0.00 -1.09 0.00 0.00 42.92 41.57 2rm4 s ASP 66 CO -0.01 -0.23 1.21 -0.76 0.70 0.00 0.00 175.17 176.09 2rm4 s LEU 67 N 2.11 3.81 0.12 2.11 1.02 -1.26 -1.10 118.68 125.49 2rm4 s LEU 67 Ca 0.05 0.97 -0.09 0.00 0.02 0.00 0.00 54.13 55.07 2rm4 s LEU 67 Cb -0.12 -3.54 -0.11 0.00 0.02 0.00 0.00 46.19 42.44 2rm4 s LEU 67 CO -0.04 -1.10 1.33 0.40 0.02 0.00 0.00 176.35 176.96 2rm4 h ILE 68 N 6.00 1.31 -2.97 -0.59 2.04 -0.96 -3.42 117.51 118.92 2rm4 h ILE 68 Ca -0.24 -2.07 -0.56 0.00 1.00 0.00 0.00 64.86 63.00 2rm4 h ILE 68 Cb 1.08 2.08 -0.40 0.00 -0.74 0.00 0.00 36.82 38.84 2rm4 h ILE 68 CO 1.06 0.64 -0.77 -1.61 0.00 0.00 0.00 178.15 177.47 2rm4 s GLU 69 N -3.64 0.45 0.56 2.37 0.41 -1.03 -4.98 118.70 112.83 2rm4 s GLU 69 Ca -0.09 -0.80 0.29 0.00 -0.41 0.00 0.00 54.97 53.96 2rm4 s GLU 69 Cb 0.09 -1.57 1.65 0.00 -1.78 0.00 0.00 34.13 32.52 2rm4 s GLU 69 CO 0.89 -1.01 2.16 -1.00 -0.49 0.00 0.00 175.26 175.81 2rm4 h PRO 70 N 8.24 0.00 -6.95 0.39 0.13 -1.84 -2.65 132.00 129.33 2rm4 h PRO 70 Ca -0.17 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.41 2rm4 h PRO 70 Cb 1.01 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.26 2rm4 h PRO 70 CO 0.45 0.07 0.67 0.00 -0.23 0.00 0.00 178.00 178.96 2rm4 n ALA 71 N -2.28 1.93 -2.42 -0.56 0.00 -1.26 -4.86 120.51 111.05 2rm4 n ALA 71 Ca -0.02 0.26 -0.38 0.00 0.00 0.00 0.00 53.44 53.29 2rm4 n ALA 71 Cb 0.17 -2.37 -0.06 0.00 0.00 0.00 0.00 19.45 17.19 2rm4 n ALA 71 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2rm4 s LYS 72 N -2.37 4.12 0.12 0.00 2.20 -1.26 -4.56 119.74 117.99 2rm4 s LYS 72 Ca 0.60 0.59 0.05 0.00 -0.36 0.00 0.00 55.97 56.86 2rm4 s LYS 72 Cb -0.46 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 2rm4 s LYS 72 CO 0.58 0.59 0.01 -0.65 -0.36 0.00 0.00 175.35 175.52 2rm4 s GLN 73 N -0.85 2.54 -0.31 4.03 -0.21 -1.25 -5.06 119.66 118.56 2rm4 s GLN 73 Ca 0.27 -0.91 -0.27 0.00 0.02 0.00 0.00 55.36 54.47 2rm4 s GLN 73 Cb -0.18 -2.50 0.01 0.00 1.00 0.00 0.00 33.01 31.34 2rm4 s GLN 73 CO 0.16 0.51 0.97 0.34 -2.12 0.00 0.00 175.29 175.15 2rm4 s ASP 74 N -2.54 6.85 -0.13 5.90 2.15 -1.26 -4.93 116.67 122.71 2rm4 s ASP 74 Ca 0.27 0.94 -0.07 0.00 0.43 0.00 0.00 52.55 54.12 2rm4 s ASP 74 Cb -0.11 -2.50 -0.04 0.00 -0.30 0.00 0.00 42.92 39.97 2rm4 s ASP 74 CO 0.19 -0.77 0.14 -0.76 -0.17 0.00 0.00 175.17 173.80 2rm4 s LEU 75 N 3.37 4.36 0.42 -1.34 1.43 -1.26 -5.08 118.68 120.57 2rm4 s LEU 75 Ca 0.41 0.43 -0.22 0.00 -1.03 0.00 0.00 54.13 53.71 2rm4 s LEU 75 Cb -0.13 -2.07 -0.10 0.00 0.03 0.00 0.00 46.19 43.92 2rm4 s LEU 75 CO 0.13 0.37 1.00 -1.81 0.23 0.00 0.00 176.35 176.28 2rm4 s ASP 76 N -0.81 6.78 0.00 2.29 1.01 -1.26 -3.81 116.67 120.87 2rm4 s ASP 76 Ca 0.14 1.88 0.00 0.00 0.71 0.00 0.00 52.55 55.28 2rm4 s ASP 76 Cb -0.12 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.25 2rm4 s ASP 76 CO 0.03 -0.48 0.00 0.61 0.21 0.00 0.00 175.17 175.55 2rm4 n GLY 77 N -0.08 3.05 0.31 0.21 0.00 -1.26 -4.85 105.19 102.58 2rm4 n GLY 77 Ca 0.06 -0.82 0.06 0.00 0.00 0.00 0.00 46.02 45.32 2rm4 n GLY 77 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2rm4 h HIS 78 N 0.00 0.47 -1.96 1.61 3.86 -2.02 -3.43 115.15 113.68 2rm4 h HIS 78 Ca 0.00 0.01 -0.61 0.00 -1.16 0.00 0.00 60.37 58.61 2rm4 h HIS 78 Cb 0.00 -0.16 -0.13 0.00 1.06 0.00 0.00 27.41 28.18 2rm4 h HIS 78 CO 0.00 0.28 -0.68 0.95 0.86 0.00 0.00 177.93 179.34 2rm4 s THR 79 N -5.45 2.31 0.90 2.45 -4.23 -1.26 -5.12 115.64 105.24 2rm4 s THR 79 Ca -0.08 -2.19 -0.10 0.00 -1.18 0.00 0.00 61.69 58.14 2rm4 s THR 79 Cb 0.18 -2.64 0.14 0.00 1.34 0.00 0.00 72.50 71.52 2rm4 s THR 79 CO 0.73 -0.22 1.16 0.00 -0.54 0.00 0.00 174.62 175.75 2rm4 s ALA 80 N -2.59 1.51 0.89 3.99 0.00 -1.26 -4.95 121.76 119.35 2rm4 s ALA 80 Ca 0.33 0.63 -0.10 0.00 0.00 0.00 0.00 51.96 52.82 2rm4 s ALA 80 Cb 0.02 -3.46 0.13 0.00 0.00 0.00 0.00 23.12 19.81 2rm4 s ALA 80 CO 0.17 -2.72 1.13 -1.25 0.00 0.00 0.00 175.76 173.09 2rm4 s PRO 81 N -4.58 1.21 0.12 0.00 0.04 -1.26 -4.93 135.00 125.61 2rm4 s PRO 81 Ca 0.68 1.46 -0.31 0.00 0.04 0.00 0.00 61.00 62.86 2rm4 s PRO 81 Cb -0.24 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 2rm4 s PRO 81 CO 0.57 -2.47 1.57 -1.00 0.04 0.00 0.00 177.00 175.71 2rm4 h PRO 82 N -1.75 -0.54 -7.00 0.56 0.13 -2.06 -3.41 132.00 117.93 2rm4 h PRO 82 Ca -0.44 0.04 -0.54 0.00 -0.87 0.00 0.00 66.00 64.19 2rm4 h PRO 82 Cb 1.26 0.12 0.12 0.00 0.13 0.00 0.00 31.00 32.64 2rm4 h PRO 82 CO 0.44 -0.36 0.67 -1.25 -0.23 0.00 0.00 178.00 177.27 2rm4 s PRO 83 N -5.82 3.54 0.02 1.56 0.04 -1.26 -5.02 135.00 128.06 2rm4 s PRO 83 Ca -0.16 2.35 0.04 0.00 0.04 0.00 0.00 61.00 63.27 2rm4 s PRO 83 Cb 0.08 -2.54 -0.02 0.00 0.04 0.00 0.00 34.50 32.06 2rm4 s PRO 83 CO 0.63 -0.91 -0.12 0.54 0.04 0.00 0.00 177.00 177.19 2rm4 s VAL 84 N -1.24 0.92 0.24 -0.36 0.11 -1.26 -5.04 120.40 113.77 2rm4 s VAL 84 Ca 0.64 -0.73 -0.06 0.00 -2.93 0.00 0.00 61.98 58.89 2rm4 s VAL 84 Cb -0.42 -0.81 0.22 0.00 -1.53 0.00 0.00 36.38 33.83 2rm4 s VAL 84 CO 0.53 0.08 1.87 0.58 -3.33 0.00 0.00 175.10 174.84 2rm4 h VAL 85 N 4.69 1.26 -3.78 2.04 2.07 -1.97 -3.39 116.25 117.17 2rm4 h VAL 85 Ca -0.35 -0.61 -0.66 0.00 0.82 0.00 0.00 66.70 65.90 2rm4 h VAL 85 Cb 1.18 0.02 -0.18 0.00 -1.52 0.00 0.00 31.29 30.78 2rm4 h VAL 85 CO 0.46 0.28 -0.50 0.21 0.02 0.00 0.00 177.57 178.04 2rm4 s ASN 86 N -6.24 5.99 -0.59 0.57 3.84 -1.26 -5.02 114.94 112.23 2rm4 s ASN 86 Ca -0.13 -0.27 0.04 0.00 0.21 0.00 0.00 52.86 52.72 2rm4 s ASN 86 Cb 0.17 -2.12 0.16 0.00 -0.55 0.00 0.00 41.25 38.92 2rm4 s ASN 86 CO 0.83 -0.16 0.41 -0.75 -2.79 0.00 0.00 177.10 174.64 2rm4 s LYS 87 N 1.73 1.91 0.48 0.43 2.20 -1.26 -5.10 119.74 120.13 2rm4 s LYS 87 Ca 0.06 -2.84 -0.24 0.00 -0.36 0.00 0.00 55.97 52.59 2rm4 s LYS 87 Cb -0.17 -2.80 -0.07 0.00 -1.51 0.00 0.00 37.83 33.28 2rm4 s LYS 87 CO 0.10 -1.28 1.42 -1.25 -0.36 0.00 0.00 175.35 173.98 2rm4 s PRO 88 N -0.79 3.49 -0.33 4.03 0.04 -1.26 -4.99 135.00 135.19 2rm4 s PRO 88 Ca 0.25 2.39 -0.01 0.00 0.04 0.00 0.00 61.00 63.67 2rm4 s PRO 88 Cb -0.06 -2.53 0.07 0.00 0.04 0.00 0.00 34.50 32.02 2rm4 s PRO 88 CO -0.14 -0.97 0.05 0.95 0.04 0.00 0.00 177.00 176.93 2rm4 s THR 89 N -1.22 2.93 0.50 1.26 -4.23 -1.26 -5.09 115.64 108.53 2rm4 s THR 89 Ca 0.65 -1.66 -0.23 0.00 -1.18 0.00 0.00 61.69 59.27 2rm4 s THR 89 Cb -0.43 -2.81 -0.07 0.00 1.34 0.00 0.00 72.50 70.53 2rm4 s THR 89 CO 0.55 -0.29 1.25 -2.65 -0.54 0.00 0.00 174.62 172.94 2rm4 n PRO 90 N 4.56 1.65 -5.01 3.99 -0.02 -1.26 -5.00 135.00 133.91 2rm4 n PRO 90 Ca -0.09 0.60 -0.32 0.00 -2.02 0.00 0.00 63.50 61.67 2rm4 n PRO 90 Cb 0.43 -2.42 -0.15 0.00 -0.02 0.00 0.00 33.50 31.34 2rm4 n PRO 90 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2rm4 s VAL 91 N -1.29 2.66 -1.45 -1.45 1.01 -1.26 -4.65 120.40 113.97 2rm4 s VAL 91 Ca 0.68 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 2rm4 s VAL 91 Cb -0.46 -2.04 0.06 0.00 0.00 0.00 0.00 36.38 33.94 2rm4 s VAL 91 CO 0.52 0.57 0.95 0.29 0.00 0.00 0.00 175.10 177.43 2rm4 n LYS 92 N 2.85 -5.76 -3.86 2.72 5.02 -1.26 -4.97 118.16 112.91 2rm4 n LYS 92 Ca -0.17 0.64 -0.36 0.00 -2.02 0.00 0.00 58.31 56.40 2rm4 n LYS 92 Cb 0.52 -5.48 -0.13 0.00 -0.02 0.00 0.00 35.03 29.92 2rm4 n LYS 92 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2rm4 s LEU 93 N -7.14 4.03 0.09 -0.35 2.96 -1.26 -5.08 118.68 111.93 2rm4 s LEU 93 Ca 0.49 -1.23 -0.31 0.00 -0.22 0.00 0.00 54.13 52.86 2rm4 s LEU 93 Cb -0.24 -1.76 -0.08 0.00 0.50 0.00 0.00 46.19 44.60 2rm4 s LEU 93 CO 0.81 -0.28 1.59 -2.16 -1.32 0.00 0.00 176.35 174.99 2rm4 s PRO 94 N 1.30 4.22 0.11 0.98 0.04 -1.26 -4.91 135.00 135.48 2rm4 s PRO 94 Ca -0.04 2.28 -0.14 0.00 0.04 0.00 0.00 61.00 63.14 2rm4 s PRO 94 Cb -0.20 -3.47 -0.07 0.00 0.04 0.00 0.00 34.50 30.81 2rm4 s PRO 94 CO 0.00 -0.67 1.45 1.25 0.04 0.00 0.00 177.00 179.07 2rm4 h HIS 95 N 7.80 0.92 -0.71 0.56 2.76 -1.98 -3.23 115.15 121.28 2rm4 h HIS 95 Ca -0.42 -0.27 0.05 0.00 -2.20 0.00 0.00 60.37 57.53 2rm4 h HIS 95 Cb 1.20 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 29.92 2rm4 h HIS 95 CO 0.74 1.03 0.47 0.35 -1.30 0.00 0.00 177.93 179.22 2rm4 h PHE 96 N 0.55 0.77 -0.54 5.26 3.57 -2.05 -2.44 116.94 122.06 2rm4 h PHE 96 Ca 0.06 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.68 2rm4 h PHE 96 Cb 0.86 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 2rm4 h PHE 96 CO 0.07 0.42 0.37 0.77 -2.23 0.00 0.00 178.31 177.71 2rm4 h SER 97 N 0.78 0.26 -3.95 0.41 0.02 -1.96 -3.42 113.55 105.67 2rm4 h SER 97 Ca 0.30 0.01 -0.37 0.00 -0.84 0.00 0.00 61.79 60.88 2rm4 h SER 97 Cb 0.19 -0.05 -0.14 0.00 0.14 0.00 0.00 62.40 62.54 2rm4 h SER 97 CO -0.09 0.15 -0.66 0.54 -1.14 0.00 0.00 176.83 175.63 2rm4 s ASN 98 N -6.30 1.75 -0.03 3.07 4.22 -0.92 -5.15 114.94 111.58 2rm4 s ASN 98 Ca -0.07 -1.22 0.05 0.00 -2.14 0.00 0.00 52.86 49.48 2rm4 s ASN 98 Cb 0.19 0.03 -0.01 0.00 1.28 0.00 0.00 41.25 42.74 2rm4 s ASN 98 CO 0.74 -0.52 -0.17 -0.51 -2.04 0.00 0.00 177.10 174.59 2rm4 s ILE 99 N -3.45 1.42 0.31 0.54 1.10 -1.26 -4.88 121.20 114.98 2rm4 s ILE 99 Ca 0.28 -0.74 0.00 0.00 -0.51 0.00 0.00 60.65 59.69 2rm4 s ILE 99 Cb 0.06 -1.20 0.23 0.00 0.15 0.00 0.00 42.46 41.69 2rm4 s ILE 99 CO 0.08 0.41 1.94 -0.07 -2.11 0.00 0.00 174.94 175.19 2rm4 h LEU 100 N 6.01 0.79 0.00 8.50 3.38 -2.00 -3.54 115.31 128.45 2rm4 h LEU 100 Ca -0.35 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2rm4 h LEU 100 Cb 1.16 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2rm4 h LEU 100 CO 0.48 0.64 0.00 0.61 0.09 0.00 0.00 178.44 180.26