#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rm4 n ALA 0 N 0.00 4.89 -2.99 4.61 0.00 -1.26 -4.94 120.51 120.82 2rm4 n ALA 0 Ca 0.00 -2.53 -0.11 0.00 0.00 0.00 0.00 53.44 50.79 2rm4 n ALA 0 Cb 0.00 -1.30 -0.07 0.00 0.00 0.00 0.00 19.45 18.08 2rm4 n ALA 0 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2rm4 s MET 1 N -3.09 0.80 -0.75 0.00 1.00 -1.26 -4.98 119.30 111.02 2rm4 s MET 1 Ca 0.56 -0.52 -0.01 0.00 0.00 0.00 0.00 55.69 55.72 2rm4 s MET 1 Cb 0.45 0.35 -0.01 0.00 0.00 0.00 0.00 34.83 35.62 2rm4 s MET 1 CO 0.13 -0.26 0.70 0.41 0.00 0.00 0.00 175.02 176.00 2rm4 n GLY 2 N 0.58 -1.18 3.66 -0.03 0.00 -1.26 -4.93 105.19 102.03 2rm4 n GLY 2 Ca -0.19 0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.93 0.24 -0.94 1.61 -0.04 -1.26 -4.88 135.00 127.80 2rm4 n PRO 3 Ca -0.01 0.15 -0.08 0.00 -0.04 0.00 0.00 63.50 63.52 2rm4 n PRO 3 Cb 0.52 -2.35 0.25 0.00 -0.04 0.00 0.00 33.50 31.88 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 -3.11 2.69 -1.71 0.52 -2.24 -1.26 -4.95 114.28 104.23 2rm4 n THR 4 Ca 0.13 -1.47 -0.31 0.00 -2.27 0.00 0.00 64.05 60.13 2rm4 n THR 4 Cb 0.50 -0.43 0.03 0.00 -2.10 0.00 0.00 70.33 68.34 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 -0.85 5.66 0.00 3.42 1.01 -1.26 -4.84 116.67 119.81 2rm4 s ASP 5 Ca 0.49 1.58 0.18 0.00 0.71 0.00 0.00 52.55 55.51 2rm4 s ASP 5 Cb 0.39 -2.49 0.98 0.00 1.01 0.00 0.00 42.92 42.81 2rm4 s ASP 5 CO 0.12 -1.25 1.53 0.00 0.21 0.00 0.00 175.17 175.78 2rm4 n GLN 6 N -2.91 0.36 0.28 8.23 6.02 -1.26 -2.73 117.38 125.37 2rm4 n GLN 6 Ca 0.07 0.08 0.16 0.00 -0.01 0.00 0.00 57.00 57.30 2rm4 n GLN 6 Cb 0.54 -1.50 0.80 0.00 1.02 0.00 0.00 30.24 31.10 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 1.18 1.08 3.58 -1.97 -2.69 116.42 117.59 2rm4 h ASP 7 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2rm4 h ASP 7 Cb 0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.16 2rm4 h ASP 7 CO 0.00 0.07 0.00 0.79 -2.88 0.00 0.00 179.24 177.22 2rm4 n TRP 8 N -3.33 0.75 -1.67 0.28 5.03 -1.11 -4.84 117.44 112.55 2rm4 n TRP 8 Ca -0.01 0.24 -0.46 0.00 3.03 0.00 0.00 57.50 60.30 2rm4 n TRP 8 Cb 0.24 -0.89 -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 -2.13 0.05 -0.71 -0.99 2.08 -1.02 0.32 119.36 116.96 2rm4 n ILE 9 Ca 0.05 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.35 2rm4 n ILE 9 Cb 0.36 -1.59 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 3.52 0.98 3.87 7.39 0.00 0.30 -4.96 105.19 116.29 2rm4 n GLY 10 Ca 0.17 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 -2.51 3.58 0.08 0.00 0.00 -1.03 -1.82 121.76 120.06 2rm4 s ALA 12 Ca 0.54 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.98 2rm4 s ALA 12 Cb -0.10 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 2rm4 s ALA 12 CO 0.33 -0.65 -0.06 0.14 0.00 0.00 0.00 175.76 175.52 2rm4 s VAL 13 N 2.10 0.59 -0.01 0.00 -7.23 -1.05 -0.27 120.40 114.52 2rm4 s VAL 13 Ca 0.22 -1.80 0.08 0.00 -1.81 0.00 0.00 61.98 58.66 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 -0.83 -0.24 -0.55 -0.31 0.00 0.00 175.10 173.26 2rm4 s SER 14 N -2.84 2.85 -0.16 4.85 0.15 -0.41 -2.65 113.70 115.50 2rm4 s SER 14 Ca 0.08 -0.45 0.01 0.00 0.70 0.00 0.00 55.95 56.30 2rm4 s SER 14 Cb 0.04 -0.31 0.02 0.00 -1.71 0.00 0.00 66.02 64.05 2rm4 s SER 14 CO -0.05 0.29 -0.19 -0.63 1.20 0.00 0.00 173.24 173.86 2rm4 s ILE 15 N -0.58 1.92 -0.42 6.45 -1.09 -0.50 -2.03 121.20 124.95 2rm4 s ILE 15 Ca 0.09 -0.87 -0.16 0.00 -2.23 0.00 0.00 60.65 57.48 2rm4 s ILE 15 Cb -0.09 -1.74 0.02 0.00 -1.58 0.00 0.00 42.46 39.07 2rm4 s ILE 15 CO -0.01 0.52 0.38 0.00 -1.23 0.00 0.00 174.94 174.60 2rm4 s ALA 16 N 1.17 3.45 0.46 9.38 0.00 -0.60 -2.42 121.76 133.20 2rm4 s ALA 16 Ca 0.01 -1.61 0.02 0.00 0.00 0.00 0.00 51.96 50.38 2rm4 s ALA 16 Cb -0.14 -2.98 0.01 0.00 0.00 0.00 0.00 23.12 20.01 2rm4 s ALA 16 CO -0.09 -1.54 0.66 0.00 0.00 0.00 0.00 175.76 174.80 2rm4 n ASP 18 N -2.07 -2.06 -0.16 0.00 8.00 -1.22 -4.20 116.55 114.84 2rm4 n ASP 18 Ca 0.04 -0.23 0.14 0.00 0.71 0.00 0.00 54.79 55.45 2rm4 n ASP 18 Cb 0.58 -1.20 0.49 0.00 -0.02 0.00 0.00 41.12 40.98 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 -2.72 0.43 0.00 -1.24 5.08 -1.96 0.15 114.58 114.32 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 0.28 -0.40 0.28 -1.00 0.00 0.00 179.01 178.65 2rm4 h VAL 20 N 0.44 0.84 0.00 3.13 2.07 -2.01 -3.10 116.25 117.61 2rm4 h VAL 20 Ca 0.36 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 66.15 2rm4 h VAL 20 Cb 0.78 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2rm4 h VAL 20 CO -0.12 0.40 -0.90 0.18 0.02 0.00 0.00 177.57 177.15 2rm4 n LEU 21 N -3.40 0.69 0.00 2.57 4.77 0.48 -5.06 117.00 117.05 2rm4 n LEU 21 Ca 0.01 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2rm4 n LEU 21 Cb 0.58 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2rm4 n LEU 21 CO 0.38 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2rm4 n GLY 22 N 1.30 0.60 3.05 -0.72 0.00 -0.86 -4.82 105.19 103.74 2rm4 n GLY 22 Ca 0.02 -0.79 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 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 0.89 0.17 1.61 1.01 -1.26 -1.75 120.40 121.07 2rm4 s VAL 23 Ca 0.00 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.58 2rm4 s VAL 23 Cb 0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 2rm4 s VAL 23 CO 0.00 0.26 -0.13 0.72 0.00 0.00 0.00 175.10 175.96 2rm4 s PHE 24 N -0.10 1.48 0.03 5.22 -0.12 -1.02 -2.22 117.98 121.25 2rm4 s PHE 24 Ca 0.02 -0.65 0.02 0.00 -0.05 0.00 0.00 56.93 56.26 2rm4 s PHE 24 Cb -0.06 -0.72 -0.02 0.00 -0.63 0.00 0.00 43.02 41.59 2rm4 s PHE 24 CO -0.00 0.21 -0.07 -0.65 -0.05 0.00 0.00 175.22 174.66 2rm4 s GLN 25 N -3.58 0.50 -0.04 1.99 -0.21 0.15 -1.41 119.66 117.06 2rm4 s GLN 25 Ca 0.18 -0.57 -0.31 0.00 0.02 0.00 0.00 55.36 54.68 2rm4 s GLN 25 Cb 0.00 -0.35 0.13 0.00 1.00 0.00 0.00 33.01 33.79 2rm4 s GLN 25 CO 0.04 0.07 1.32 0.20 -2.12 0.00 0.00 175.29 174.80 2rm4 s GLY 26 N -1.09 -0.43 0.01 3.09 0.00 -1.08 -2.71 107.32 105.11 2rm4 s GLY 26 Ca -0.06 0.79 -0.19 0.00 0.00 0.00 0.00 44.72 45.26 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 4.45 0.28 0.66 1.43 -1.23 -2.54 118.68 118.78 2rm4 s LEU 27 Ca 0.14 1.13 -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 43.33 2rm4 s LEU 27 CO -0.04 0.18 1.34 -0.63 0.23 0.00 0.00 176.35 177.43 2rm4 s ILE 28 N -0.52 2.82 -0.15 -0.59 1.01 -0.76 -1.62 121.20 121.39 2rm4 s ILE 28 Ca 0.29 0.75 0.06 0.00 0.00 0.00 0.00 60.65 61.74 2rm4 s ILE 28 Cb -0.18 -3.48 -0.13 0.00 0.01 0.00 0.00 42.46 38.68 2rm4 s ILE 28 CO 0.17 0.15 -0.07 1.17 0.00 0.00 0.00 174.94 176.36 2rm4 n LYS 29 N 1.68 1.04 -3.69 2.79 4.81 -0.06 0.11 118.16 124.84 2rm4 n LYS 29 Ca 0.03 0.05 -0.13 0.00 -0.87 0.00 0.00 58.31 57.39 2rm4 n LYS 29 Cb 0.42 -1.33 -0.07 0.00 0.02 0.00 0.00 35.03 34.06 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 0.83 -0.00 1.64 -0.21 -1.01 -4.74 119.66 113.85 2rm4 s GLN 30 Ca -0.16 -0.24 0.00 0.00 0.02 0.00 0.00 55.36 54.98 2rm4 s GLN 30 Cb 0.05 0.37 0.00 0.00 1.00 0.00 0.00 33.01 34.43 2rm4 s GLN 30 CO 0.44 -0.26 0.00 0.42 -2.12 0.00 0.00 175.29 173.77 2rm4 s ILE 31 N -1.91 0.01 0.07 1.08 1.01 -1.26 -1.42 121.20 118.78 2rm4 s ILE 31 Ca -0.09 0.01 -0.08 0.00 0.00 0.00 0.00 60.65 60.48 2rm4 s ILE 31 Cb -0.02 -0.03 -0.00 0.00 0.01 0.00 0.00 42.46 42.41 2rm4 s ILE 31 CO 0.01 0.01 0.17 -0.94 0.00 0.00 0.00 174.94 174.20 2rm4 s SER 32 N 0.08 0.12 0.61 3.58 1.04 -0.78 -4.95 113.70 113.40 2rm4 s SER 32 Ca -0.01 -0.58 0.31 0.00 0.48 0.00 0.00 55.95 56.15 2rm4 s SER 32 Cb -0.01 0.31 1.71 0.00 0.10 0.00 0.00 66.02 68.13 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 3.02 1.67 0.00 5.32 0.00 -2.02 -1.44 119.26 125.81 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 0.54 -0.34 -1.64 0.39 0.00 0.00 0.00 179.25 178.21 2rm4 n GLU 34 N -3.51 0.64 -3.55 0.00 1.02 -1.26 -4.87 120.64 109.11 2rm4 n GLU 34 Ca 0.01 0.15 -0.12 0.00 -0.02 0.00 0.00 57.16 57.18 2rm4 n GLU 34 Cb 0.36 -1.73 -0.04 0.00 -0.02 0.00 0.00 31.44 30.01 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 1.12 -0.05 3.49 -1.05 -0.54 -3.33 118.70 115.43 2rm4 s GLU 35 Ca -0.05 -0.46 0.03 0.00 -0.15 0.00 0.00 54.97 54.34 2rm4 s GLU 35 Cb 0.09 0.50 -0.03 0.00 -0.44 0.00 0.00 34.13 34.26 2rm4 s GLU 35 CO 0.82 -0.44 -0.14 0.42 0.95 0.00 0.00 175.26 176.87 2rm4 s ILE 36 N -3.28 3.09 -0.07 1.83 -1.09 -0.93 -1.86 121.20 118.88 2rm4 s ILE 36 Ca -0.01 -0.71 0.04 0.00 -2.23 0.00 0.00 60.65 57.73 2rm4 s ILE 36 Cb 0.00 -2.21 0.00 0.00 -1.58 0.00 0.00 42.46 38.68 2rm4 s ILE 36 CO -0.08 0.59 -0.19 -0.89 -1.23 0.00 0.00 174.94 173.14 2rm4 s THR 37 N -0.73 1.61 0.31 2.92 2.01 -0.51 -2.41 115.64 118.85 2rm4 s THR 37 Ca 0.11 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.37 2rm4 s THR 37 Cb -0.11 -1.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 2rm4 s THR 37 CO 0.01 0.46 0.14 0.27 -0.69 0.00 0.00 174.62 174.81 2rm4 s ILE 38 N 0.36 0.43 0.23 1.82 -4.36 -0.76 -0.88 121.20 118.04 2rm4 s ILE 38 Ca -0.13 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.31 2rm4 s ILE 38 Cb -0.16 -2.52 -0.05 0.00 1.25 0.00 0.00 42.46 40.98 2rm4 s ILE 38 CO 0.05 0.00 -0.06 0.68 0.24 0.00 0.00 174.94 175.86 2rm4 s VAL 39 N -3.56 1.39 -0.85 8.37 -7.23 -0.64 -2.04 120.40 115.85 2rm4 s VAL 39 Ca 0.35 -2.10 -0.02 0.00 -1.81 0.00 0.00 61.98 58.39 2rm4 s VAL 39 Cb 0.05 -2.28 -0.02 0.00 0.56 0.00 0.00 36.38 34.69 2rm4 s VAL 39 CO 0.17 -0.41 0.77 0.54 -0.31 0.00 0.00 175.10 175.86 2rm4 n ARG 40 N -0.45 -1.62 -2.07 4.82 5.12 -0.86 -3.52 116.66 118.08 2rm4 n ARG 40 Ca -0.06 1.26 -0.43 0.00 -1.93 0.00 0.00 57.85 56.69 2rm4 n ARG 40 Cb 0.63 -5.68 -0.03 0.00 -1.16 0.00 0.00 32.46 26.23 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 -3.13 3.28 -0.06 7.54 0.00 -1.25 -4.60 121.76 123.53 2rm4 s ALA 41 Ca 0.16 0.54 0.04 0.00 0.00 0.00 0.00 51.96 52.69 2rm4 s ALA 41 Cb -0.02 -3.85 -0.02 0.00 0.00 0.00 0.00 23.12 19.23 2rm4 s ALA 41 CO 0.75 -1.94 -0.19 -0.06 0.00 0.00 0.00 175.76 174.33 2rm4 s PHE 42 N 5.23 2.60 0.01 0.00 0.40 -1.10 -2.73 117.98 122.39 2rm4 s PHE 42 Ca 0.73 -0.45 0.02 0.00 -0.60 0.00 0.00 56.93 56.64 2rm4 s PHE 42 Cb -0.26 -1.65 -0.01 0.00 0.51 0.00 0.00 43.02 41.61 2rm4 s PHE 42 CO 0.30 -0.03 -0.08 0.50 0.70 0.00 0.00 175.22 176.61 2rm4 s ARG 43 N -0.35 0.56 -1.53 0.44 3.52 -0.33 -0.68 118.95 120.59 2rm4 s ARG 43 Ca 0.03 -0.43 -0.14 0.00 -0.13 0.00 0.00 55.73 55.06 2rm4 s ARG 43 Cb -0.12 -0.49 0.09 0.00 -1.56 0.00 0.00 34.95 32.87 2rm4 s ARG 43 CO 0.02 0.12 0.89 0.09 -0.81 0.00 0.00 175.30 175.62 2rm4 n ASN 44 N 2.42 -4.57 -1.60 -2.12 5.03 -0.94 -1.15 115.26 112.32 2rm4 n ASN 44 Ca -0.16 -0.75 -0.19 0.00 0.87 0.00 0.00 54.58 54.35 2rm4 n ASN 44 Cb 0.57 -3.67 -0.07 0.00 -1.02 0.00 0.00 39.78 35.59 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 -1.59 1.38 3.12 7.41 0.00 -1.26 -4.96 105.19 109.30 2rm4 n GLY 45 Ca 0.04 -0.10 -0.11 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 0.09 0.39 1.61 1.01 -0.30 -5.14 120.40 115.30 2rm4 s VAL 46 Ca 0.00 -0.76 -0.27 0.00 0.00 0.00 0.00 61.98 60.95 2rm4 s VAL 46 Cb 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 36.38 35.72 2rm4 s VAL 46 CO 0.00 -0.42 1.38 -2.84 0.00 0.00 0.00 175.10 173.22 2rm4 s PRO 47 N -1.68 4.05 -0.07 2.72 0.02 -1.26 -1.18 135.00 137.60 2rm4 s PRO 47 Ca -0.12 2.34 -0.26 0.00 0.02 0.00 0.00 61.00 62.98 2rm4 s PRO 47 Cb -0.06 -2.88 -0.22 0.00 0.02 0.00 0.00 34.50 31.37 2rm4 s PRO 47 CO 0.00 -0.49 1.01 -0.07 -0.33 0.00 0.00 177.00 177.13 2rm4 h LEU 48 N 2.88 -0.02 0.00 -5.54 3.38 -1.83 -3.45 115.31 110.73 2rm4 h LEU 48 Ca -0.50 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 56.81 2rm4 h LEU 48 Cb 1.24 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2rm4 h LEU 48 CO 0.63 0.67 0.00 -1.14 0.09 0.00 0.00 178.44 178.69 2rm4 n ARG 49 N -4.77 0.00 -4.81 1.13 0.63 -1.26 -5.08 116.66 102.49 2rm4 n ARG 49 Ca -0.09 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.51 2rm4 n ARG 49 Cb 0.33 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.10 2rm4 n ARG 49 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2rm4 s LYS 50 N -1.41 3.14 0.36 -0.14 1.02 -1.26 -5.00 119.74 116.45 2rm4 s LYS 50 Ca 0.00 -0.69 0.04 0.00 0.02 0.00 0.00 55.97 55.35 2rm4 s LYS 50 Cb 0.00 -2.56 0.68 0.00 -0.52 0.00 0.00 37.83 35.43 2rm4 s LYS 50 CO 0.00 0.33 1.95 1.96 -0.92 0.00 0.00 175.35 178.67 2rm4 h GLN 51 N 6.32 0.60 -0.04 1.68 4.20 -1.97 -2.39 115.11 123.52 2rm4 h GLN 51 Ca -0.31 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.32 2rm4 h GLN 51 Cb 1.20 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.87 2rm4 h GLN 51 CO 0.54 0.50 0.00 0.09 -0.67 0.00 0.00 178.83 179.29 2rm4 n ASN 52 N -4.37 0.64 -4.74 1.46 3.02 -1.26 -2.04 115.26 107.98 2rm4 n ASN 52 Ca 0.03 -1.37 -0.41 0.00 -0.03 0.00 0.00 54.58 52.80 2rm4 n ASN 52 Cb 0.15 -0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.26 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 -1.96 3.39 0.01 5.41 0.00 -0.90 -4.84 121.76 122.88 2rm4 s ALA 53 Ca 0.37 0.85 -0.16 0.00 0.00 0.00 0.00 51.96 53.02 2rm4 s ALA 53 Cb 0.18 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.88 2rm4 s ALA 53 CO 0.30 -0.25 0.44 -1.83 0.00 0.00 0.00 175.76 174.42 2rm4 s GLU 54 N -0.40 3.98 -0.22 0.00 -1.05 -1.26 -3.75 118.70 116.01 2rm4 s GLU 54 Ca 0.50 0.48 -0.06 0.00 -0.15 0.00 0.00 54.97 55.74 2rm4 s GLU 54 Cb -0.30 -3.23 -0.03 0.00 -0.44 0.00 0.00 34.13 30.13 2rm4 s GLU 54 CO 0.36 0.67 0.04 0.08 0.95 0.00 0.00 175.26 177.36 2rm4 s VAL 55 N -1.06 4.26 -0.22 1.83 1.01 -0.86 -4.97 120.40 120.39 2rm4 s VAL 55 Ca 0.25 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.04 2rm4 s VAL 55 Cb -0.17 -2.95 0.05 0.00 0.00 0.00 0.00 36.38 33.30 2rm4 s VAL 55 CO 0.15 0.40 -0.10 -0.69 0.00 0.00 0.00 175.10 174.86 2rm4 s VAL 56 N 1.11 1.75 -0.03 2.92 1.01 -1.26 -1.83 120.40 124.07 2rm4 s VAL 56 Ca 0.03 -1.18 0.04 0.00 0.00 0.00 0.00 61.98 60.87 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 0.02 0.09 -0.14 -0.76 0.00 0.00 0.00 175.10 174.32 2rm4 s LEU 57 N 1.33 1.87 0.32 3.92 1.43 -1.01 -4.96 118.68 121.58 2rm4 s LEU 57 Ca -0.03 -0.28 -0.28 0.00 -1.03 0.00 0.00 54.13 52.51 2rm4 s LEU 57 Cb -0.17 -0.79 -0.09 0.00 0.03 0.00 0.00 46.19 45.16 2rm4 s LEU 57 CO -0.07 0.12 1.08 -0.54 0.23 0.00 0.00 176.35 177.17 2rm4 s LYS 58 N 0.06 4.48 0.48 1.70 1.02 -1.26 -2.18 119.74 124.05 2rm4 s LYS 58 Ca -0.03 1.70 0.20 0.00 0.02 0.00 0.00 55.97 57.87 2rm4 s LYS 58 Cb -0.10 -2.98 1.22 0.00 -0.52 0.00 0.00 37.83 35.46 2rm4 s LYS 58 CO 0.01 0.10 1.97 0.00 -0.92 0.00 0.00 175.35 176.51 2rm4 h THR 60 N 0.20 0.82 0.00 0.00 1.35 -1.91 -2.13 112.91 111.24 2rm4 h THR 60 Ca 0.29 -0.65 -0.13 0.00 -0.55 0.00 0.00 66.41 65.38 2rm4 h THR 60 Cb 0.86 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 68.64 2rm4 h THR 60 CO -0.05 0.16 -1.22 0.44 -0.25 0.00 0.00 175.52 174.60 2rm4 h ASP 61 N 0.00 0.00 -3.80 5.36 3.32 -1.40 -3.46 116.42 116.44 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 0.37 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2rm4 h ASP 61 CO 0.02 0.45 0.30 -0.63 -1.72 0.00 0.00 179.24 177.66 2rm4 s ILE 62 N -3.02 4.26 -0.21 0.35 1.01 -0.80 -3.43 121.20 119.35 2rm4 s ILE 62 Ca -0.02 1.77 0.13 0.00 0.00 0.00 0.00 60.65 62.53 2rm4 s ILE 62 Cb 0.09 -4.04 -0.21 0.00 0.01 0.00 0.00 42.46 38.30 2rm4 s ILE 62 CO 0.80 0.22 -0.02 -1.14 0.00 0.00 0.00 174.94 174.80 2rm4 n ARG 63 N 0.77 0.78 -3.49 2.79 3.00 -0.48 -4.91 116.66 115.12 2rm4 n ARG 63 Ca 0.00 0.04 -0.16 0.00 -0.00 0.00 0.00 57.85 57.73 2rm4 n ARG 63 Cb 0.50 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.42 2rm4 n ARG 63 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2rm4 s SER 64 N -5.68 -0.61 0.02 6.15 0.15 -1.09 -5.05 113.70 107.59 2rm4 s SER 64 Ca -0.17 0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.95 2rm4 s SER 64 Cb 0.07 0.54 -0.01 0.00 -1.71 0.00 0.00 66.02 64.91 2rm4 s SER 64 CO 0.72 -0.71 -0.04 -0.63 1.20 0.00 0.00 173.24 173.79 2rm4 s ILE 65 N -2.03 0.24 -0.04 6.45 1.01 -1.26 -1.56 121.20 124.00 2rm4 s ILE 65 Ca -0.06 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 59.94 2rm4 s ILE 65 Cb -0.00 -0.31 0.02 0.00 0.01 0.00 0.00 42.46 42.19 2rm4 s ILE 65 CO 0.02 -0.27 -0.02 1.51 0.00 0.00 0.00 174.94 176.18 2rm4 s ASP 66 N -0.98 0.71 -0.34 3.58 -4.77 -0.86 -5.01 116.67 109.00 2rm4 s ASP 66 Ca -0.08 -0.07 -0.29 0.00 -3.30 0.00 0.00 52.55 48.81 2rm4 s ASP 66 Cb -0.07 -0.32 0.01 0.00 -1.09 0.00 0.00 42.92 41.45 2rm4 s ASP 66 CO -0.00 -0.09 1.26 -0.76 0.70 0.00 0.00 175.17 176.27 2rm4 s LEU 67 N 1.04 3.81 -0.04 2.11 1.43 -1.26 -1.28 118.68 124.49 2rm4 s LEU 67 Ca -0.09 1.02 -0.25 0.00 -1.03 0.00 0.00 54.13 53.78 2rm4 s LEU 67 Cb -0.14 -3.54 -0.22 0.00 0.03 0.00 0.00 46.19 42.32 2rm4 s LEU 67 CO -0.01 -1.12 1.11 0.40 0.23 0.00 0.00 176.35 176.95 2rm4 h ILE 68 N 6.03 1.51 -2.92 -0.59 2.04 -0.96 -3.43 117.51 119.19 2rm4 h ILE 68 Ca -0.25 -1.69 -0.55 0.00 1.00 0.00 0.00 64.86 63.37 2rm4 h ILE 68 Cb 1.09 2.55 -0.40 0.00 -0.74 0.00 0.00 36.82 39.32 2rm4 h ILE 68 CO 1.05 0.46 -0.77 -1.61 0.00 0.00 0.00 178.15 177.28 2rm4 s GLU 69 N -3.48 0.38 0.40 2.37 2.02 -0.89 -4.65 118.70 114.84 2rm4 s GLU 69 Ca -0.16 -0.73 -0.27 0.00 0.02 0.00 0.00 54.97 53.83 2rm4 s GLU 69 Cb 0.01 -1.45 -0.10 0.00 0.10 0.00 0.00 34.13 32.70 2rm4 s GLU 69 CO 0.72 -1.01 1.40 -2.14 0.02 0.00 0.00 175.26 174.25 2rm4 s PRO 70 N 1.92 3.98 0.28 0.39 0.02 -1.22 -2.46 135.00 137.91 2rm4 s PRO 70 Ca 0.09 2.38 -0.01 0.00 0.02 0.00 0.00 61.00 63.49 2rm4 s PRO 70 Cb -0.16 -2.84 0.40 0.00 0.02 0.00 0.00 34.50 31.92 2rm4 s PRO 70 CO -0.33 -0.56 1.83 0.00 -0.33 0.00 0.00 177.00 177.61 2rm4 h ALA 71 N 2.78 1.22 -0.44 -1.55 0.00 -1.90 -3.00 119.26 116.36 2rm4 h ALA 71 Ca -0.50 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 2rm4 h ALA 71 Cb 1.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2rm4 h ALA 71 CO 0.63 0.54 0.25 0.87 0.00 0.00 0.00 179.25 181.54 2rm4 h LYS 72 N 0.80 0.62 -3.80 0.00 1.57 -1.92 -3.45 116.57 110.38 2rm4 h LYS 72 Ca 0.18 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.75 2rm4 h LYS 72 Cb 0.29 -0.12 -0.19 0.00 0.08 0.00 0.00 32.23 32.29 2rm4 h LYS 72 CO -0.00 0.49 -0.56 -0.65 -0.57 0.00 0.00 179.45 178.15 2rm4 s GLN 73 N -5.87 0.51 -0.26 3.15 -0.21 -1.13 -5.13 119.66 110.71 2rm4 s GLN 73 Ca -0.13 -0.68 -0.17 0.00 0.02 0.00 0.00 55.36 54.40 2rm4 s GLN 73 Cb 0.11 0.20 -0.03 0.00 1.00 0.00 0.00 33.01 34.29 2rm4 s GLN 73 CO 0.74 -0.12 0.47 0.34 -2.12 0.00 0.00 175.29 174.61 2rm4 s ASP 74 N -1.88 6.38 0.32 5.90 2.15 -1.26 -3.46 116.67 124.83 2rm4 s ASP 74 Ca -0.09 0.46 -0.00 0.00 0.43 0.00 0.00 52.55 53.35 2rm4 s ASP 74 Cb -0.04 -2.26 0.53 0.00 -0.30 0.00 0.00 42.92 40.86 2rm4 s ASP 74 CO -0.03 -0.25 1.99 -0.07 -0.17 0.00 0.00 175.17 176.64 2rm4 h LEU 75 N 8.69 0.85 -7.58 -1.34 3.38 -1.89 -3.46 115.31 113.97 2rm4 h LEU 75 Ca -0.30 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.70 2rm4 h LEU 75 Cb 1.15 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.61 2rm4 h LEU 75 CO 0.69 0.61 0.25 1.51 0.09 0.00 0.00 178.44 181.60 2rm4 s ASP 76 N -6.37 -0.37 -0.21 -0.43 -4.77 -1.26 -5.14 116.67 98.12 2rm4 s ASP 76 Ca -0.11 -0.35 -0.16 0.00 -3.30 0.00 0.00 52.55 48.63 2rm4 s ASP 76 Cb 0.18 0.65 -0.04 0.00 -1.09 0.00 0.00 42.92 42.62 2rm4 s ASP 76 CO 0.78 -1.16 0.42 -0.83 0.70 0.00 0.00 175.17 175.09 2rm4 s GLY 77 N -2.84 2.06 -0.03 2.12 0.00 -1.26 -5.07 107.32 102.30 2rm4 s GLY 77 Ca 0.07 -0.52 0.04 0.00 0.00 0.00 0.00 44.72 44.31 2rm4 s GLY 77 CO -0.01 0.89 -0.14 -1.58 0.00 0.00 0.00 173.10 172.26 2rm4 s HIS 78 N 1.46 1.39 0.10 1.90 5.04 -1.26 -5.12 115.29 118.78 2rm4 s HIS 78 Ca 0.20 -0.35 -0.29 0.00 -1.54 0.00 0.00 55.06 53.08 2rm4 s HIS 78 Cb -0.15 -0.93 -0.06 0.00 0.04 0.00 0.00 32.58 31.48 2rm4 s HIS 78 CO 0.08 -0.10 0.92 0.99 -2.34 0.00 0.00 174.74 174.29 2rm4 s THR 79 N -0.04 4.55 0.04 0.89 2.01 -1.26 -4.75 115.64 117.08 2rm4 s THR 79 Ca -0.01 1.98 0.00 0.00 0.31 0.00 0.00 61.69 63.98 2rm4 s THR 79 Cb -0.09 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.14 2rm4 s THR 79 CO 0.01 0.33 0.00 0.00 -0.69 0.00 0.00 174.62 174.27 2rm4 n ALA 80 N 2.79 0.00 -0.76 7.40 0.00 -1.26 -5.15 120.51 123.53 2rm4 n ALA 80 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 2rm4 n ALA 80 Cb 0.49 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.12 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 -2.00 0.66 0.99 0.00 0.02 -1.26 -4.96 135.00 128.44 2rm4 s PRO 81 Ca 0.00 1.26 -0.11 0.00 0.02 0.00 0.00 61.00 62.17 2rm4 s PRO 81 Cb 0.00 -1.71 0.18 0.00 0.02 0.00 0.00 34.50 33.00 2rm4 s PRO 81 CO 0.00 -2.78 1.10 -1.25 -0.33 0.00 0.00 177.00 173.74 2rm4 s PRO 82 N -4.66 0.47 0.58 5.54 0.04 -1.26 -4.92 135.00 130.80 2rm4 s PRO 82 Ca 0.66 1.22 -0.20 0.00 0.04 0.00 0.00 61.00 62.72 2rm4 s PRO 82 Cb -0.22 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2rm4 s PRO 82 CO 0.59 -2.90 1.31 -0.35 0.04 0.00 0.00 177.00 175.69 2rm4 n PRO 83 N -4.39 1.45 -4.33 0.56 -0.04 -1.26 -5.03 135.00 121.97 2rm4 n PRO 83 Ca 0.08 0.54 -0.17 0.00 -0.04 0.00 0.00 63.50 63.91 2rm4 n PRO 83 Cb 0.53 -2.53 -0.10 0.00 -0.04 0.00 0.00 33.50 31.36 2rm4 n PRO 83 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2rm4 s VAL 84 N -1.33 1.58 0.28 0.52 -7.23 -1.26 -5.04 120.40 107.92 2rm4 s VAL 84 Ca 0.76 -2.17 -0.03 0.00 -1.81 0.00 0.00 61.98 58.72 2rm4 s VAL 84 Cb -0.41 -2.02 0.24 0.00 0.56 0.00 0.00 36.38 34.76 2rm4 s VAL 84 CO 0.46 -0.61 1.93 0.58 -0.31 0.00 0.00 175.10 177.15 2rm4 h VAL 85 N 2.60 1.23 -6.08 1.32 2.07 -2.05 -3.46 116.25 111.87 2rm4 h VAL 85 Ca -0.38 -0.48 -0.42 0.00 0.82 0.00 0.00 66.70 66.24 2rm4 h VAL 85 Cb 1.21 0.04 0.05 0.00 -1.52 0.00 0.00 31.29 31.07 2rm4 h VAL 85 CO 0.63 0.24 -0.81 -3.20 0.02 0.00 0.00 177.57 174.44 2rm4 n ASN 86 N -4.38 -1.92 -1.34 0.57 5.15 -1.26 -4.62 115.26 107.46 2rm4 n ASN 86 Ca 0.09 -0.79 0.16 0.00 -0.60 0.00 0.00 54.58 53.44 2rm4 n ASN 86 Cb 0.06 -4.14 -0.08 0.00 -0.53 0.00 0.00 39.78 35.09 2rm4 n ASN 86 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2rm4 n LYS 87 N -4.35 -2.91 -1.79 1.20 5.02 -1.26 -4.78 118.16 109.29 2rm4 n LYS 87 Ca -0.24 2.35 -0.37 0.00 -2.02 0.00 0.00 58.31 58.03 2rm4 n LYS 87 Cb 0.65 -3.48 0.06 0.00 -0.02 0.00 0.00 35.03 32.24 2rm4 n LYS 87 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2rm4 s PRO 88 N -4.22 2.72 0.18 1.97 0.04 -1.26 -5.04 135.00 129.39 2rm4 s PRO 88 Ca 0.00 2.06 0.09 0.00 0.04 0.00 0.00 61.00 63.19 2rm4 s PRO 88 Cb 0.00 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2rm4 s PRO 88 CO 0.00 -1.46 -0.20 0.95 0.04 0.00 0.00 177.00 176.33 2rm4 s THR 89 N -1.41 1.98 0.56 1.26 -4.23 -1.26 -5.12 115.64 107.43 2rm4 s THR 89 Ca 0.80 -1.98 -0.21 0.00 -1.18 0.00 0.00 61.69 59.12 2rm4 s THR 89 Cb -0.37 -1.94 -0.04 0.00 1.34 0.00 0.00 72.50 71.49 2rm4 s THR 89 CO 0.40 -0.28 1.35 -2.16 -0.54 0.00 0.00 174.62 173.39 2rm4 s PRO 90 N -2.83 3.07 0.27 3.99 0.04 -1.26 -4.90 135.00 133.38 2rm4 s PRO 90 Ca 0.18 2.22 -0.04 0.00 0.04 0.00 0.00 61.00 63.40 2rm4 s PRO 90 Cb -0.06 -2.21 0.33 0.00 0.04 0.00 0.00 34.50 32.60 2rm4 s PRO 90 CO 0.08 -1.24 1.90 0.28 0.04 0.00 0.00 177.00 178.05 2rm4 h VAL 91 N 1.34 1.24 -3.70 -0.36 2.07 -2.06 -3.42 116.25 111.35 2rm4 h VAL 91 Ca -0.51 -0.56 -0.50 0.00 0.82 0.00 0.00 66.70 65.95 2rm4 h VAL 91 Cb 1.30 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 2rm4 h VAL 91 CO 0.57 0.26 0.12 -0.54 0.02 0.00 0.00 177.57 178.00 2rm4 s LYS 92 N -5.79 4.10 0.53 1.57 1.02 -1.26 -5.04 119.74 114.88 2rm4 s LYS 92 Ca -0.12 0.77 -0.21 0.00 0.02 0.00 0.00 55.97 56.44 2rm4 s LYS 92 Cb 0.17 -2.56 -0.05 0.00 -0.52 0.00 0.00 37.83 34.87 2rm4 s LYS 92 CO 0.81 0.22 1.21 -0.51 -0.92 0.00 0.00 175.35 176.16 2rm4 s LEU 93 N -2.67 3.82 0.49 3.17 2.01 -1.26 -4.95 118.68 119.29 2rm4 s LEU 93 Ca 0.51 2.39 -0.24 0.00 0.01 0.00 0.00 54.13 56.80 2rm4 s LEU 93 Cb -0.12 -4.43 -0.07 0.00 0.01 0.00 0.00 46.19 41.58 2rm4 s LEU 93 CO 0.18 -1.31 1.40 -2.16 1.01 0.00 0.00 176.35 175.47 2rm4 s PRO 94 N -3.05 3.47 0.04 1.29 0.04 -1.26 -5.02 135.00 130.51 2rm4 s PRO 94 Ca 0.71 2.34 0.09 0.00 0.04 0.00 0.00 61.00 64.18 2rm4 s PRO 94 Cb -0.30 -2.50 -0.03 0.00 0.04 0.00 0.00 34.50 31.71 2rm4 s PRO 94 CO 0.35 -0.96 -0.25 -1.01 0.04 0.00 0.00 177.00 175.17 2rm4 s HIS 95 N -1.24 2.16 -0.16 0.56 3.76 -1.26 -5.13 115.29 113.98 2rm4 s HIS 95 Ca 0.65 -0.40 -0.11 0.00 -0.15 0.00 0.00 55.06 55.05 2rm4 s HIS 95 Cb -0.42 -1.30 -0.05 0.00 1.11 0.00 0.00 32.58 31.92 2rm4 s HIS 95 CO 0.53 0.10 0.19 0.12 -0.85 0.00 0.00 174.74 174.83 2rm4 s PHE 96 N -0.77 3.49 0.03 1.40 5.36 -1.26 -5.09 117.98 121.13 2rm4 s PHE 96 Ca 0.10 0.48 0.05 0.00 -0.96 0.00 0.00 56.93 56.61 2rm4 s PHE 96 Cb -0.10 -2.16 -0.03 0.00 -0.34 0.00 0.00 43.02 40.39 2rm4 s PHE 96 CO 0.02 0.40 -0.11 0.45 -1.46 0.00 0.00 175.22 174.52 2rm4 s SER 97 N -0.02 4.30 0.36 6.13 0.15 -1.26 -5.03 113.70 118.34 2rm4 s SER 97 Ca 0.13 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.50 2rm4 s SER 97 Cb -0.12 -0.88 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 2rm4 s SER 97 CO 0.02 0.26 0.00 0.59 1.20 0.00 0.00 173.24 175.30 2rm4 n ASN 98 N 1.41 -6.66 -4.18 5.45 5.03 -1.26 -4.90 115.26 110.15 2rm4 n ASN 98 Ca -0.15 0.76 -0.27 0.00 0.87 0.00 0.00 54.58 55.79 2rm4 n ASN 98 Cb 0.52 -3.91 -0.16 0.00 -1.02 0.00 0.00 39.78 35.21 2rm4 n ASN 98 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 2rm4 s ILE 99 N -3.09 1.53 0.26 2.41 1.10 -1.26 -5.03 121.20 117.11 2rm4 s ILE 99 Ca 0.00 -0.80 -0.05 0.00 -0.51 0.00 0.00 60.65 59.29 2rm4 s ILE 99 Cb 0.00 -1.29 0.26 0.00 0.15 0.00 0.00 42.46 41.58 2rm4 s ILE 99 CO 0.00 0.44 1.91 0.25 -2.11 0.00 0.00 174.94 175.43 2rm4 h LEU 100 N 5.96 1.10 0.00 8.50 5.85 -2.05 -3.57 115.31 131.11 2rm4 h LEU 100 Ca -0.35 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2rm4 h LEU 100 Cb 1.16 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2rm4 h LEU 100 CO 0.48 0.76 0.00 0.61 -0.34 0.00 0.00 178.44 179.95