#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h47 s MET 1 N 0.00 1.42 0.04 5.31 1.00 -1.26 -0.82 119.30 124.99 1h47 s MET 1 Ca 0.00 -1.38 0.04 0.00 0.00 0.00 0.00 55.69 54.35 1h47 s MET 1 Cb 0.00 -1.89 -0.02 0.00 0.00 0.00 0.00 34.83 32.92 1h47 s MET 1 CO 0.00 0.44 -0.11 1.03 0.00 0.00 0.00 175.02 176.38 1h47 s ARG 2 N -2.15 0.74 0.03 2.03 1.81 0.02 -4.96 118.95 116.47 1h47 s ARG 2 Ca 0.15 -0.72 0.04 0.00 -1.72 0.00 0.00 55.73 53.47 1h47 s ARG 2 Cb -0.10 -0.68 -0.04 0.00 -0.45 0.00 0.00 34.95 33.69 1h47 s ARG 2 CO 0.07 0.16 -0.05 -1.50 -0.68 0.00 0.00 175.30 173.29 1h47 s ILE 3 N -0.99 3.76 0.04 1.52 1.10 -1.26 -0.50 121.20 124.87 1h47 s ILE 3 Ca -0.02 -0.83 -0.03 0.00 -0.51 0.00 0.00 60.65 59.26 1h47 s ILE 3 Cb -0.08 -2.68 -0.02 0.00 0.15 0.00 0.00 42.46 39.83 1h47 s ILE 3 CO 0.01 0.32 0.03 -0.83 -2.11 0.00 0.00 174.94 172.35 1h47 s GLY 4 N -1.67 0.28 -0.01 1.50 0.00 -0.56 -3.56 107.32 103.30 1h47 s GLY 4 Ca 0.19 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 44.15 1h47 s GLY 4 CO 0.10 -0.89 -0.04 -1.58 0.00 0.00 0.00 173.10 170.69 1h47 s HIS 5 N -2.78 0.46 0.05 1.90 2.46 -1.25 -1.48 115.29 114.65 1h47 s HIS 5 Ca -0.04 -0.09 0.02 0.00 0.47 0.00 0.00 55.06 55.42 1h47 s HIS 5 Cb -0.00 -0.33 -0.03 0.00 -0.13 0.00 0.00 32.58 32.08 1h47 s HIS 5 CO -0.06 -0.04 -0.07 0.20 -2.47 0.00 0.00 174.74 172.31 1h47 s GLY 6 N 0.09 0.54 -0.12 1.59 0.00 -0.21 -3.77 107.32 105.44 1h47 s GLY 6 Ca -0.01 -0.90 -0.10 0.00 0.00 0.00 0.00 44.72 43.71 1h47 s GLY 6 CO -0.00 -0.97 0.31 -0.12 0.00 0.00 0.00 173.10 172.31 1h47 s PHE 7 N -2.03 -0.35 0.06 1.90 5.36 -1.26 -1.53 117.98 120.14 1h47 s PHE 7 Ca -0.05 0.84 -0.15 0.00 -0.96 0.00 0.00 56.93 56.61 1h47 s PHE 7 Cb -0.06 0.12 0.03 0.00 -0.34 0.00 0.00 43.02 42.77 1h47 s PHE 7 CO -0.01 -0.18 0.34 0.34 -1.46 0.00 0.00 175.22 174.25 1h47 s ASP 8 N 0.31 -0.17 -0.09 6.13 2.15 -0.70 -4.75 116.67 119.54 1h47 s ASP 8 Ca -0.01 -0.18 -0.07 0.00 0.43 0.00 0.00 52.55 52.72 1h47 s ASP 8 Cb -0.03 0.40 0.03 0.00 -0.30 0.00 0.00 42.92 43.02 1h47 s ASP 8 CO -0.01 -0.68 0.24 -0.69 -0.17 0.00 0.00 175.17 173.86 1h47 s VAL 9 N -2.82 -0.02 0.03 1.11 1.01 -1.26 -1.19 120.40 117.26 1h47 s VAL 9 Ca -0.03 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.07 1h47 s VAL 9 Cb 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 1h47 s VAL 9 CO -0.05 0.03 -0.14 -1.00 0.00 0.00 0.00 175.10 173.94 1h47 s HIS 10 N 0.64 1.26 0.26 5.22 3.76 -0.87 -5.02 115.29 120.54 1h47 s HIS 10 Ca -0.04 -0.32 -0.24 0.00 -0.15 0.00 0.00 55.06 54.31 1h47 s HIS 10 Cb -0.06 -0.77 -0.09 0.00 1.11 0.00 0.00 32.58 32.78 1h47 s HIS 10 CO -0.04 0.02 0.84 0.00 -0.85 0.00 0.00 174.74 174.72 1h47 s ALA 11 N -0.70 3.32 0.57 -1.40 0.00 -1.26 -1.91 121.76 120.39 1h47 s ALA 11 Ca 0.03 0.38 -0.19 0.00 0.00 0.00 0.00 51.96 52.18 1h47 s ALA 11 Cb -0.07 -3.03 -0.05 0.00 0.00 0.00 0.00 23.12 19.98 1h47 s ALA 11 CO 0.01 0.25 1.17 -0.06 0.00 0.00 0.00 175.76 177.13 1h47 s PHE 12 N -1.49 2.52 0.00 0.00 0.08 -0.66 -0.66 117.98 117.77 1h47 s PHE 12 Ca 0.45 1.53 0.00 0.00 0.12 0.00 0.00 56.93 59.03 1h47 s PHE 12 Cb -0.19 -3.39 0.00 0.00 -0.57 0.00 0.00 43.02 38.87 1h47 s PHE 12 CO 0.24 -1.92 0.00 0.41 -0.10 0.00 0.00 175.22 173.84 1h47 n GLY 13 N 0.34 2.57 7.00 4.36 0.00 -0.40 -4.70 105.19 114.36 1h47 n GLY 13 Ca 0.13 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1h47 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h47 n GLY 14 N -0.72 -0.79 3.91 -0.02 0.00 -1.26 -1.73 105.19 104.58 1h47 n GLY 14 Ca 0.00 -1.09 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 1h47 n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h47 s GLU 15 N 0.00 3.26 1.47 1.61 2.02 -1.26 -2.50 118.70 123.30 1h47 s GLU 15 Ca 0.00 -0.77 -0.25 0.00 0.02 0.00 0.00 54.97 53.97 1h47 s GLU 15 Cb 0.00 -2.82 0.38 0.00 0.10 0.00 0.00 34.13 31.79 1h47 s GLU 15 CO 0.00 0.47 0.86 0.41 0.02 0.00 0.00 175.26 177.02 1h47 n GLY 16 N -0.88 -3.97 3.92 -1.39 0.00 -1.19 -2.52 105.19 99.15 1h47 n GLY 16 Ca -0.08 -1.28 -0.27 0.00 0.00 0.00 0.00 46.02 44.38 1h47 n GLY 16 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h47 s PRO 17 N -5.07 2.22 0.33 1.61 0.04 -1.26 -4.78 135.00 128.09 1h47 s PRO 17 Ca 0.67 -0.08 0.03 0.00 0.04 0.00 0.00 61.00 61.66 1h47 s PRO 17 Cb -0.12 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1h47 s PRO 17 CO 0.56 -1.29 0.50 0.96 0.04 0.00 0.00 177.00 177.76 1h47 s ILE 18 N -3.34 4.64 -0.16 0.56 -4.36 -0.70 -4.67 121.20 113.18 1h47 s ILE 18 Ca 0.60 -0.77 0.01 0.00 -0.26 0.00 0.00 60.65 60.23 1h47 s ILE 18 Cb -0.11 -3.66 0.02 0.00 1.25 0.00 0.00 42.46 39.97 1h47 s ILE 18 CO 0.46 -0.34 -0.15 -0.63 0.24 0.00 0.00 174.94 174.52 1h47 s ILE 19 N -2.23 1.72 -0.10 8.37 1.01 -1.26 -1.35 121.20 127.37 1h47 s ILE 19 Ca 0.41 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 60.32 1h47 s ILE 19 Cb -0.09 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.78 1h47 s ILE 19 CO 0.33 0.45 -0.15 -0.63 0.00 0.00 0.00 174.94 174.95 1h47 s ILE 20 N 1.42 1.44 -1.42 2.92 -1.09 -0.76 -3.85 121.20 119.85 1h47 s ILE 20 Ca 0.04 -0.62 -0.07 0.00 -2.23 0.00 0.00 60.65 57.78 1h47 s ILE 20 Cb -0.13 -1.31 0.04 0.00 -1.58 0.00 0.00 42.46 39.47 1h47 s ILE 20 CO -0.11 0.43 0.57 0.61 -1.23 0.00 0.00 174.94 175.20 1h47 n GLY 21 N 4.12 -0.51 3.08 6.18 0.00 -1.26 -1.39 105.19 115.42 1h47 n GLY 21 Ca -0.19 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1h47 n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h47 n GLY 22 N -1.37 1.48 3.55 -0.02 0.00 -1.26 -4.25 105.19 103.31 1h47 n GLY 22 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1h47 n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h47 s VAL 23 N -3.54 4.47 0.07 1.61 1.01 -0.49 -5.04 120.40 118.49 1h47 s VAL 23 Ca 0.00 -0.14 -0.31 0.00 0.00 0.00 0.00 61.98 61.54 1h47 s VAL 23 Cb 0.00 -3.03 -0.06 0.00 0.00 0.00 0.00 36.38 33.30 1h47 s VAL 23 CO 0.00 0.43 1.18 -0.13 0.00 0.00 0.00 175.10 176.58 1h47 s ARG 24 N 0.78 4.45 -0.11 2.72 3.00 -1.26 -1.82 118.95 126.70 1h47 s ARG 24 Ca 0.03 1.75 -0.01 0.00 0.00 0.00 0.00 55.73 57.50 1h47 s ARG 24 Cb -0.14 -3.35 0.03 0.00 0.00 0.00 0.00 34.95 31.49 1h47 s ARG 24 CO 0.02 -0.23 -0.05 0.42 0.00 0.00 0.00 175.30 175.46 1h47 s ILE 25 N 0.98 0.87 0.47 1.52 1.01 -0.45 -5.01 121.20 120.59 1h47 s ILE 25 Ca 0.58 -0.23 -0.25 0.00 0.00 0.00 0.00 60.65 60.75 1h47 s ILE 25 Cb -0.29 -0.95 -0.08 0.00 0.01 0.00 0.00 42.46 41.15 1h47 s ILE 25 CO 0.29 0.31 1.42 -2.84 0.00 0.00 0.00 174.94 174.12 1h47 s PRO 26 N 1.77 3.57 0.09 2.79 0.02 -1.26 -1.71 135.00 140.26 1h47 s PRO 26 Ca 0.04 2.39 -0.25 0.00 0.02 0.00 0.00 61.00 63.20 1h47 s PRO 26 Cb -0.13 -2.57 0.08 0.00 0.02 0.00 0.00 34.50 31.90 1h47 s PRO 26 CO -0.07 -0.90 0.70 -0.47 -0.33 0.00 0.00 177.00 175.92 1h47 s TYR 27 N -1.22 -0.49 0.57 6.54 5.04 -1.26 -4.86 117.35 121.67 1h47 s TYR 27 Ca 0.63 0.35 0.26 0.00 -2.44 0.00 0.00 57.07 55.87 1h47 s TYR 27 Cb -0.43 0.54 1.58 0.00 0.35 0.00 0.00 41.96 44.00 1h47 s TYR 27 CO 0.55 -0.73 2.11 0.93 -1.34 0.00 0.00 175.55 177.06 1h47 h GLU 28 N 2.07 0.00 -4.82 4.97 5.08 -1.96 -3.16 114.58 116.76 1h47 h GLU 28 Ca -0.30 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 57.77 1h47 h GLU 28 Cb 1.28 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.35 1h47 h GLU 28 CO 0.36 0.00 -0.72 0.15 -1.00 0.00 0.00 179.01 177.79 1h47 s LYS 29 N -4.76 0.78 0.74 2.33 1.02 -1.26 -4.03 119.74 114.56 1h47 s LYS 29 Ca -0.05 -1.12 -0.01 0.00 0.02 0.00 0.00 55.97 54.81 1h47 s LYS 29 Cb 0.16 -0.41 0.15 0.00 -0.52 0.00 0.00 37.83 37.21 1h47 s LYS 29 CO 0.59 0.05 1.02 0.41 -0.92 0.00 0.00 175.35 176.51 1h47 n GLY 30 N 0.60 0.54 3.52 -3.33 0.00 -0.71 -3.22 105.19 102.58 1h47 n GLY 30 Ca -0.16 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.48 1h47 n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h47 s LEU 31 N 0.00 3.61 0.20 0.99 1.43 -1.25 -1.27 118.68 122.38 1h47 s LEU 31 Ca 0.67 -0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 53.37 1h47 s LEU 31 Cb -0.04 -1.95 -0.09 0.00 0.03 0.00 0.00 46.19 44.14 1h47 s LEU 31 CO 0.45 0.03 1.30 -0.76 0.23 0.00 0.00 176.35 177.60 1h47 s LEU 32 N 1.26 4.42 -0.21 1.79 1.43 0.17 -4.75 118.68 122.78 1h47 s LEU 32 Ca 0.05 2.40 -0.32 0.00 -1.03 0.00 0.00 54.13 55.23 1h47 s LEU 32 Cb -0.14 -3.61 0.15 0.00 0.03 0.00 0.00 46.19 42.62 1h47 s LEU 32 CO 0.04 -0.52 1.21 0.00 0.23 0.00 0.00 176.35 177.30 1h47 s ALA 33 N 0.09 -2.05 0.26 4.21 0.00 -1.26 -4.29 121.76 118.71 1h47 s ALA 33 Ca 0.56 1.69 -0.03 0.00 0.00 0.00 0.00 51.96 54.18 1h47 s ALA 33 Cb -0.36 -0.73 0.32 0.00 0.00 0.00 0.00 23.12 22.35 1h47 s ALA 33 CO 0.38 -0.41 1.79 0.45 0.00 0.00 0.00 175.76 177.98 1h47 h HIS 34 N 2.15 0.94 -2.94 0.00 -0.00 -2.02 -3.45 115.15 109.83 1h47 h HIS 34 Ca -0.11 -0.10 0.00 0.00 -0.00 0.00 0.00 60.37 60.16 1h47 h HIS 34 Cb 1.17 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 28.31 1h47 h HIS 34 CO 0.25 0.79 0.00 -1.13 -0.00 0.00 0.00 177.93 177.84 1h47 n SER 35 N -4.26 0.00 0.00 2.45 3.41 -1.26 -4.91 113.62 109.06 1h47 n SER 35 Ca 0.04 -0.61 0.09 0.00 -0.26 0.00 0.00 58.87 58.13 1h47 n SER 35 Cb 0.24 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.63 1h47 n SER 35 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1h47 n ASP 36 N -1.83 0.00 -0.14 4.04 5.68 -1.26 -4.90 116.55 118.13 1h47 n ASP 36 Ca 0.00 0.08 -0.02 0.00 -0.50 0.00 0.00 54.79 54.35 1h47 n ASP 36 Cb 0.00 -0.31 -0.01 0.00 -1.14 0.00 0.00 41.12 39.67 1h47 n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h47 n GLY 37 N 0.23 0.52 3.56 6.12 0.00 -1.26 -4.55 105.19 109.80 1h47 n GLY 37 Ca 0.08 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 1h47 n GLY 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h47 s ASP 38 N -2.98 5.90 0.31 1.61 -1.08 -1.25 -4.83 116.67 114.35 1h47 s ASP 38 Ca 0.00 -0.98 0.01 0.00 -0.52 0.00 0.00 52.55 51.05 1h47 s ASP 38 Cb 0.00 -2.56 0.52 0.00 -1.46 0.00 0.00 42.92 39.41 1h47 s ASP 38 CO 0.00 -2.05 1.91 -0.37 0.52 0.00 0.00 175.17 175.18 1h47 h VAL 39 N 6.92 1.20 -0.15 1.11 -1.51 -1.93 -0.88 116.25 121.00 1h47 h VAL 39 Ca 0.10 -0.60 -0.05 0.00 -1.23 0.00 0.00 66.70 64.92 1h47 h VAL 39 Cb 1.02 0.51 -0.00 0.00 -2.13 0.00 0.00 31.29 30.69 1h47 h VAL 39 CO 1.32 0.24 -0.12 0.00 -1.23 0.00 0.00 177.57 177.79 1h47 h ALA 40 N 1.47 0.22 -0.36 5.19 0.00 -1.89 -1.61 119.26 122.27 1h47 h ALA 40 Ca 0.19 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1h47 h ALA 40 Cb 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1h47 h ALA 40 CO -0.02 0.07 0.13 -0.07 0.00 0.00 0.00 179.25 179.36 1h47 h LEU 41 N -0.01 0.46 -0.09 0.00 3.38 -1.89 -1.10 115.31 116.06 1h47 h LEU 41 Ca 0.03 -0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 1h47 h LEU 41 Cb 0.62 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.27 1h47 h LEU 41 CO 0.03 0.43 -0.66 0.45 0.09 0.00 0.00 178.44 178.78 1h47 h HIS 42 N 0.51 0.84 -0.49 1.13 3.86 -1.13 0.01 115.15 119.88 1h47 h HIS 42 Ca 0.12 -0.39 -0.07 0.00 -1.16 0.00 0.00 60.37 58.88 1h47 h HIS 42 Cb 0.12 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 1h47 h HIS 42 CO 0.00 1.20 0.05 0.00 0.86 0.00 0.00 177.93 180.04 1h47 h ALA 43 N 0.47 0.66 -0.36 2.45 0.00 -1.20 -1.52 119.26 119.75 1h47 h ALA 43 Ca -0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1h47 h ALA 43 Cb 1.31 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1h47 h ALA 43 CO 0.13 0.42 0.12 1.25 0.00 0.00 0.00 179.25 181.17 1h47 h LEU 44 N 0.70 0.51 -0.71 0.00 5.85 -1.16 -0.98 115.31 119.53 1h47 h LEU 44 Ca 0.15 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.74 1h47 h LEU 44 Cb 0.44 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 1h47 h LEU 44 CO 0.02 0.56 0.40 0.74 -0.34 0.00 0.00 178.44 179.82 1h47 h THR 45 N 0.42 0.98 -0.42 1.05 2.02 -0.78 -1.25 112.91 114.93 1h47 h THR 45 Ca 0.12 -0.25 -0.12 0.00 0.77 0.00 0.00 66.41 66.92 1h47 h THR 45 Cb 0.23 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1h47 h THR 45 CO -0.01 0.13 -0.21 0.44 0.37 0.00 0.00 175.52 176.24 1h47 h ASP 46 N 0.74 0.85 -0.60 4.18 3.32 -0.99 -0.45 116.42 123.46 1h47 h ASP 46 Ca 0.32 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1h47 h ASP 46 Cb 0.19 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1h47 h ASP 46 CO -0.18 1.04 0.18 0.00 -1.72 0.00 0.00 179.24 178.56 1h47 h ALA 47 N 1.02 0.79 -0.46 3.45 0.00 -0.48 0.78 119.26 124.37 1h47 h ALA 47 Ca 0.10 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1h47 h ALA 47 Cb 0.74 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1h47 h ALA 47 CO 0.06 0.47 -0.07 -0.07 0.00 0.00 0.00 179.25 179.63 1h47 h LEU 48 N 0.86 0.86 -0.68 0.00 3.38 -1.07 -1.98 115.31 116.69 1h47 h LEU 48 Ca 0.19 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 1h47 h LEU 48 Cb 0.30 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1h47 h LEU 48 CO -0.00 1.00 0.08 -0.07 0.09 0.00 0.00 178.44 179.54 1h47 h LEU 49 N 0.71 1.06 -0.79 1.67 3.38 -0.96 -2.99 115.31 117.37 1h47 h LEU 49 Ca 0.12 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1h47 h LEU 49 Cb 0.60 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1h47 h LEU 49 CO 0.04 1.07 0.08 1.23 0.09 0.00 0.00 178.44 180.94 1h47 h GLY 50 N 1.04 1.07 1.00 0.83 0.00 -0.75 0.38 103.07 106.63 1h47 h GLY 50 Ca 0.20 -0.70 0.04 0.00 0.00 0.00 0.00 47.33 46.87 1h47 h GLY 50 CO 0.02 0.65 0.57 0.00 0.00 0.00 0.00 176.54 177.78 1h47 h ALA 51 N 1.15 1.48 -0.35 3.60 0.00 -1.27 -1.75 119.26 122.12 1h47 h ALA 51 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1h47 h ALA 51 Cb 0.43 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1h47 h ALA 51 CO 0.01 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.69 1h47 n ALA 52 N -2.40 2.46 -3.86 0.00 0.00 -0.91 -4.60 120.51 111.20 1h47 n ALA 52 Ca 0.12 -0.75 -0.28 0.00 0.00 0.00 0.00 53.44 52.53 1h47 n ALA 52 Cb 0.12 -0.99 0.03 0.00 0.00 0.00 0.00 19.45 18.61 1h47 n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h47 n ALA 53 N 0.79 -1.46 -0.44 0.00 0.00 -0.61 -4.88 120.51 113.91 1h47 n ALA 53 Ca 0.16 0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.81 1h47 n ALA 53 Cb 0.41 -3.90 0.27 0.00 0.00 0.00 0.00 19.45 16.23 1h47 n ALA 53 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1h47 n LEU 54 N -4.60 3.84 0.00 0.00 4.77 0.02 -5.01 117.00 116.02 1h47 n LEU 54 Ca -0.04 -2.22 0.00 0.00 -0.03 0.00 0.00 56.01 53.72 1h47 n LEU 54 Cb 0.56 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1h47 n LEU 54 CO 0.74 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 178.23 1h47 n GLY 55 N 0.93 1.17 3.83 -0.72 0.00 -1.26 -4.77 105.19 104.37 1h47 n GLY 55 Ca 0.20 -0.72 -0.07 0.00 0.00 0.00 0.00 46.02 45.44 1h47 n GLY 55 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1h47 s ASP 56 N -4.00 -0.09 0.38 1.61 1.47 -1.26 -4.23 116.67 110.55 1h47 s ASP 56 Ca 0.00 -0.85 0.08 0.00 1.18 0.00 0.00 52.55 52.95 1h47 s ASP 56 Cb 0.00 0.73 0.81 0.00 -0.34 0.00 0.00 42.92 44.13 1h47 s ASP 56 CO 0.00 -1.42 1.97 -0.29 0.68 0.00 0.00 175.17 176.10 1h47 h ILE 57 N 2.00 0.99 -0.26 2.11 2.10 -1.92 -1.87 117.51 120.66 1h47 h ILE 57 Ca -0.27 -0.23 -0.17 0.00 1.08 0.00 0.00 64.86 65.27 1h47 h ILE 57 Cb 1.24 0.27 -0.00 0.00 -1.09 0.00 0.00 36.82 37.24 1h47 h ILE 57 CO 0.33 0.12 -0.53 1.23 -1.08 0.00 0.00 178.15 178.23 1h47 h GLY 58 N 0.67 0.85 1.13 8.18 0.00 -1.97 -1.67 103.07 110.25 1h47 h GLY 58 Ca 0.30 -0.97 -0.03 0.00 0.00 0.00 0.00 47.33 46.63 1h47 h GLY 58 CO -0.10 0.87 0.38 1.70 0.00 0.00 0.00 176.54 179.39 1h47 h LYS 59 N 0.60 1.13 0.03 4.80 3.64 -1.81 -2.71 116.57 122.25 1h47 h LYS 59 Ca 0.02 -0.16 -0.21 0.00 -1.27 0.00 0.00 60.65 59.03 1h47 h LYS 59 Cb 1.11 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1h47 h LYS 59 CO 0.11 0.87 -0.97 1.25 -2.27 0.00 0.00 179.45 178.44 1h47 h LEU 60 N 1.12 0.20 -5.92 5.20 5.85 -1.23 -3.38 115.31 117.15 1h47 h LEU 60 Ca 0.27 -0.18 -0.57 0.00 0.84 0.00 0.00 57.88 58.24 1h47 h LEU 60 Cb 0.11 -0.06 -0.41 0.00 0.37 0.00 0.00 40.66 40.67 1h47 h LEU 60 CO -0.04 1.05 -0.82 0.49 -0.34 0.00 0.00 178.44 178.79 1h47 n PHE 61 N -3.55 2.27 -1.79 1.25 3.72 -0.64 -5.08 117.46 113.64 1h47 n PHE 61 Ca -0.03 -3.93 -0.33 0.00 -0.05 0.00 0.00 57.45 53.11 1h47 n PHE 61 Cb 0.88 -0.47 0.04 0.00 -0.94 0.00 0.00 39.48 38.99 1h47 n PHE 61 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1h47 s PRO 62 N -2.37 2.82 0.64 -1.08 0.04 -1.03 -4.74 135.00 129.28 1h47 s PRO 62 Ca 0.41 1.42 0.36 0.00 0.04 0.00 0.00 61.00 63.24 1h47 s PRO 62 Cb 0.21 -1.95 2.03 0.00 0.04 0.00 0.00 34.50 34.83 1h47 s PRO 62 CO -0.07 -1.24 2.21 0.22 0.04 0.00 0.00 177.00 178.16 1h47 h ASP 63 N 0.12 0.00 -0.63 6.66 3.58 -1.99 -0.27 116.42 123.88 1h47 h ASP 63 Ca -0.47 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 56.91 1h47 h ASP 63 Cb 1.25 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.27 1h47 h ASP 63 CO 0.54 0.00 0.14 0.00 -2.88 0.00 0.00 179.24 177.04 1h47 h THR 64 N 0.00 1.25 -3.32 2.25 1.03 -1.98 -3.43 112.91 108.72 1h47 h THR 64 Ca 0.02 -0.95 -0.58 0.00 -0.01 0.00 0.00 66.41 64.89 1h47 h THR 64 Cb 0.25 0.60 -0.07 0.00 -1.07 0.00 0.00 68.15 67.86 1h47 h THR 64 CO -0.00 0.36 0.77 -0.62 -0.01 0.00 0.00 175.52 176.02 1h47 s ASP 65 N -6.51 6.90 0.35 0.00 3.68 -0.12 -4.94 116.67 116.04 1h47 s ASP 65 Ca -0.11 1.00 0.27 0.00 2.13 0.00 0.00 52.55 55.84 1h47 s ASP 65 Cb 0.15 -2.52 1.05 0.00 -1.45 0.00 0.00 42.92 40.15 1h47 s ASP 65 CO 0.83 -0.83 1.80 1.55 0.13 0.00 0.00 175.17 178.65 1h47 h PRO 66 N 8.07 0.00 -0.63 4.34 0.13 -1.86 -3.37 132.00 138.68 1h47 h PRO 66 Ca -0.21 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.00 1h47 h PRO 66 Cb 1.07 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.13 1h47 h PRO 66 CO 1.01 0.00 0.30 0.00 -0.23 0.00 0.00 178.00 179.08 1h47 h ALA 67 N 2.20 0.84 -0.37 -0.56 0.00 -1.95 -2.94 119.26 116.48 1h47 h ALA 67 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1h47 h ALA 67 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1h47 h ALA 67 CO 0.00 -0.07 0.00 1.19 0.00 0.00 0.00 179.25 180.37 1h47 n PHE 68 N -4.89 0.68 -2.04 0.00 3.72 -1.26 -4.88 117.46 108.79 1h47 n PHE 68 Ca 0.08 -0.60 -0.42 0.00 -0.05 0.00 0.00 57.45 56.46 1h47 n PHE 68 Cb 0.22 -0.11 -0.03 0.00 -0.94 0.00 0.00 39.48 38.62 1h47 n PHE 68 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1h47 s LYS 69 N -1.50 4.26 0.00 -1.08 1.02 -1.11 -0.88 119.74 120.44 1h47 s LYS 69 Ca 0.31 2.22 0.00 0.00 0.02 0.00 0.00 55.97 58.52 1h47 s LYS 69 Cb 0.20 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 1h47 s LYS 69 CO 0.16 -0.55 0.00 0.41 -0.92 0.00 0.00 175.35 174.45 1h47 n GLY 70 N 3.67 0.53 3.77 -3.33 0.00 -1.26 -5.01 105.19 103.55 1h47 n GLY 70 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1h47 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h47 s ALA 71 N -2.48 3.34 0.81 4.61 0.00 -0.06 -5.01 121.76 122.97 1h47 s ALA 71 Ca 0.00 1.11 -0.12 0.00 0.00 0.00 0.00 51.96 52.95 1h47 s ALA 71 Cb 0.00 -3.43 0.07 0.00 0.00 0.00 0.00 23.12 19.77 1h47 s ALA 71 CO 0.00 -0.56 1.11 0.16 0.00 0.00 0.00 175.76 176.47 1h47 s ASP 72 N -0.78 4.45 0.43 0.00 1.47 -1.26 -4.69 116.67 116.28 1h47 s ASP 72 Ca 0.52 1.21 0.22 0.00 1.18 0.00 0.00 52.55 55.68 1h47 s ASP 72 Cb -0.35 -1.92 0.94 0.00 -0.34 0.00 0.00 42.92 41.24 1h47 s ASP 72 CO 0.46 -1.99 1.85 0.28 0.68 0.00 0.00 175.17 176.45 1h47 h SER 73 N -1.10 0.00 -0.01 2.11 0.02 -1.96 -2.20 113.55 110.41 1h47 h SER 73 Ca -0.47 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.31 1h47 h SER 73 Cb 1.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 1h47 h SER 73 CO 0.60 0.27 -0.55 0.03 -1.14 0.00 0.00 176.83 176.04 1h47 h ARG 74 N 0.00 0.59 -0.64 3.45 3.08 -1.97 -1.39 114.38 117.50 1h47 h ARG 74 Ca -0.00 -0.38 -0.05 0.00 0.07 0.00 0.00 59.98 59.62 1h47 h ARG 74 Cb 0.70 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 1h47 h ARG 74 CO 0.03 0.99 0.19 0.93 -1.07 0.00 0.00 179.97 181.04 1h47 h GLU 75 N 0.46 1.01 -0.56 0.04 5.08 -1.80 -1.26 114.58 117.54 1h47 h GLU 75 Ca 0.01 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 1h47 h GLU 75 Cb 1.11 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1h47 h GLU 75 CO 0.11 0.89 0.17 -0.07 -1.00 0.00 0.00 179.01 179.11 1h47 h LEU 76 N 0.94 0.82 -0.46 1.33 3.38 -1.31 -1.69 115.31 118.31 1h47 h LEU 76 Ca 0.21 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1h47 h LEU 76 Cb 0.31 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1h47 h LEU 76 CO -0.00 0.81 0.28 0.25 0.09 0.00 0.00 178.44 179.87 1h47 h LEU 77 N 0.79 0.56 -0.84 1.67 5.85 -1.09 -1.36 115.31 120.88 1h47 h LEU 77 Ca 0.18 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 1h47 h LEU 77 Cb 0.29 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1h47 h LEU 77 CO -0.01 0.45 -0.16 0.03 -0.34 0.00 0.00 178.44 178.42 1h47 h ARG 78 N 0.62 0.69 -0.16 1.25 3.08 -1.07 -0.07 114.38 118.72 1h47 h ARG 78 Ca 0.17 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 1h47 h ARG 78 Cb -0.01 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1h47 h ARG 78 CO -0.03 0.81 -0.12 1.49 -1.07 0.00 0.00 179.97 181.06 1h47 h GLU 79 N 0.62 0.37 -0.64 0.04 4.57 -1.09 -1.12 114.58 117.33 1h47 h GLU 79 Ca 0.10 -0.18 0.13 0.00 -1.18 0.00 0.00 59.36 58.23 1h47 h GLU 79 Cb 0.62 -0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.11 1h47 h GLU 79 CO 0.04 0.71 0.12 0.00 -1.18 0.00 0.00 179.01 178.71 1h47 h ALA 80 N 0.65 0.76 -0.53 2.92 0.00 -1.15 -1.04 119.26 120.87 1h47 h ALA 80 Ca 0.03 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1h47 h ALA 80 Cb 0.62 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1h47 h ALA 80 CO 0.03 -0.32 -0.05 2.35 0.00 0.00 0.00 179.25 181.25 1h47 h TRP 81 N 0.24 1.03 -0.30 0.00 -0.00 -0.73 -0.05 115.95 116.15 1h47 h TRP 81 Ca 0.34 -0.18 0.04 0.00 -0.00 0.00 0.00 58.89 59.09 1h47 h TRP 81 Cb 0.54 -0.27 -0.04 0.00 -0.00 0.00 0.00 29.16 29.40 1h47 h TRP 81 CO -0.27 0.95 0.09 0.00 -0.00 0.00 0.00 178.44 179.21 1h47 h ARG 82 N 0.86 0.20 -0.45 2.65 3.08 -0.69 0.07 114.38 120.10 1h47 h ARG 82 Ca 0.15 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 1h47 h ARG 82 Cb 0.58 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1h47 h ARG 82 CO 0.04 0.14 0.13 0.00 -1.07 0.00 0.00 179.97 179.21 1h47 h ARG 83 N 0.21 0.67 -0.07 0.04 3.08 -0.74 -1.59 114.38 115.98 1h47 h ARG 83 Ca 0.14 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 1h47 h ARG 83 Cb 0.12 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1h47 h ARG 83 CO -0.16 0.59 -0.29 0.82 -1.07 0.00 0.00 179.97 179.86 1h47 h ILE 84 N 0.66 1.42 -0.62 2.04 2.04 -0.68 -2.92 117.51 119.45 1h47 h ILE 84 Ca 0.15 -1.69 0.01 0.00 1.00 0.00 0.00 64.86 64.34 1h47 h ILE 84 Cb 0.21 2.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.57 1h47 h ILE 84 CO -0.01 0.48 0.41 1.56 0.00 0.00 0.00 178.15 180.59 1h47 h GLN 85 N -0.17 0.79 -0.00 2.37 4.20 -0.88 -1.73 115.11 119.67 1h47 h GLN 85 Ca -0.02 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1h47 h GLN 85 Cb 0.93 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.53 1h47 h GLN 85 CO 0.06 0.52 0.00 0.00 -0.67 0.00 0.00 178.83 178.75 1h47 h ALA 86 N 1.62 1.65 0.00 3.87 0.00 -1.14 0.14 119.26 125.39 1h47 h ALA 86 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1h47 h ALA 86 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1h47 h ALA 86 CO -0.05 -0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.82 1h47 n LYS 87 N -4.01 0.63 0.00 0.00 5.02 -0.66 -4.91 118.16 114.23 1h47 n LYS 87 Ca -0.03 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1h47 n LYS 87 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 1h47 n LYS 87 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h47 n GLY 88 N 1.08 1.03 3.90 0.72 0.00 0.48 -5.10 105.19 107.31 1h47 n GLY 88 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1h47 n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h47 s TYR 89 N -2.00 3.47 0.34 1.61 2.02 -1.20 -4.65 117.35 116.94 1h47 s TYR 89 Ca 0.00 0.59 0.03 0.00 -0.37 0.00 0.00 57.07 57.32 1h47 s TYR 89 Cb 0.00 -2.04 -0.05 0.00 -0.40 0.00 0.00 41.96 39.47 1h47 s TYR 89 CO 0.00 0.39 0.08 0.95 -1.57 0.00 0.00 175.55 175.40 1h47 s THR 90 N -1.73 0.95 0.08 -0.71 -4.23 -0.78 -4.22 115.64 104.99 1h47 s THR 90 Ca 0.42 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.67 1h47 s THR 90 Cb -0.12 -2.65 -0.06 0.00 1.34 0.00 0.00 72.50 71.01 1h47 s THR 90 CO 0.25 0.00 0.80 -0.22 -0.54 0.00 0.00 174.62 174.91 1h47 s LEU 91 N -3.50 4.49 0.00 4.79 2.96 -1.26 -1.23 118.68 124.93 1h47 s LEU 91 Ca 0.33 1.54 0.00 0.00 -0.22 0.00 0.00 54.13 55.78 1h47 s LEU 91 Cb 0.07 -3.30 0.00 0.00 0.50 0.00 0.00 46.19 43.46 1h47 s LEU 91 CO 0.15 0.04 0.00 0.61 -1.32 0.00 0.00 176.35 175.83 1h47 n GLY 92 N 2.21 1.13 3.55 7.98 0.00 0.16 -4.71 105.19 115.51 1h47 n GLY 92 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 1h47 n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h47 s ASN 93 N -1.00 -0.46 0.11 1.61 4.22 -1.03 -4.86 114.94 113.52 1h47 s ASN 93 Ca 0.00 -0.16 0.03 0.00 -2.14 0.00 0.00 52.86 50.59 1h47 s ASN 93 Cb 0.00 0.61 -0.04 0.00 1.28 0.00 0.00 41.25 43.10 1h47 s ASN 93 CO 0.00 -1.03 -0.08 0.68 -2.04 0.00 0.00 177.10 174.63 1h47 s VAL 94 N -3.72 0.85 -0.16 3.54 -7.23 -0.66 -1.02 120.40 112.01 1h47 s VAL 94 Ca 0.04 -1.84 -0.08 0.00 -1.81 0.00 0.00 61.98 58.29 1h47 s VAL 94 Cb -0.02 -1.58 0.06 0.00 0.56 0.00 0.00 36.38 35.40 1h47 s VAL 94 CO -0.07 -0.74 0.37 -0.62 -0.31 0.00 0.00 175.10 173.73 1h47 s ASP 95 N -2.84 -0.38 0.01 4.85 2.15 -0.84 -1.87 116.67 117.74 1h47 s ASP 95 Ca 0.10 0.83 0.07 0.00 0.43 0.00 0.00 52.55 53.98 1h47 s ASP 95 Cb 0.02 0.79 -0.02 0.00 -0.30 0.00 0.00 42.92 43.40 1h47 s ASP 95 CO -0.02 -0.20 -0.22 -0.69 -0.17 0.00 0.00 175.17 173.87 1h47 s VAL 96 N 1.61 1.79 -0.25 1.11 1.01 -0.34 -1.37 120.40 123.96 1h47 s VAL 96 Ca -0.08 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 60.82 1h47 s VAL 96 Cb -0.09 -1.51 0.07 0.00 0.00 0.00 0.00 36.38 34.85 1h47 s VAL 96 CO -0.12 0.41 0.04 -0.89 0.00 0.00 0.00 175.10 174.53 1h47 s THR 97 N -0.63 0.91 0.09 3.92 2.01 0.13 -1.53 115.64 120.54 1h47 s THR 97 Ca 0.09 -1.03 -0.30 0.00 0.31 0.00 0.00 61.69 60.76 1h47 s THR 97 Cb -0.09 -1.45 -0.06 0.00 0.01 0.00 0.00 72.50 70.91 1h47 s THR 97 CO 0.00 -0.35 1.11 -0.63 -0.69 0.00 0.00 174.62 174.06 1h47 s ILE 98 N 1.65 4.16 -0.30 1.82 -1.09 -0.18 -0.73 121.20 126.53 1h47 s ILE 98 Ca 0.02 1.66 0.03 0.00 -2.23 0.00 0.00 60.65 60.13 1h47 s ILE 98 Cb -0.18 -4.06 0.08 0.00 -1.58 0.00 0.00 42.46 36.72 1h47 s ILE 98 CO -0.13 0.19 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.10 1h47 s ILE 99 N 0.52 2.26 -0.22 2.92 1.01 0.78 -1.03 121.20 127.44 1h47 s ILE 99 Ca 0.53 -1.93 -0.11 0.00 0.00 0.00 0.00 60.65 59.15 1h47 s ILE 99 Cb -0.27 -2.48 0.08 0.00 0.01 0.00 0.00 42.46 39.80 1h47 s ILE 99 CO 0.31 -0.28 0.52 0.00 0.00 0.00 0.00 174.94 175.50 1h47 s ALA 100 N 1.02 -1.42 0.23 9.38 0.00 -0.45 -0.90 121.76 129.62 1h47 s ALA 100 Ca -0.00 1.88 -0.02 0.00 0.00 0.00 0.00 51.96 53.82 1h47 s ALA 100 Cb -0.20 -1.23 0.23 0.00 0.00 0.00 0.00 23.12 21.93 1h47 s ALA 100 CO -0.06 -0.44 1.61 0.37 0.00 0.00 0.00 175.76 177.24 1h47 h GLN 101 N 7.34 0.59 -2.36 0.00 5.75 -1.81 -3.33 115.11 121.29 1h47 h GLN 101 Ca -0.30 -0.28 0.07 0.00 -0.15 0.00 0.00 58.65 57.99 1h47 h GLN 101 Cb 1.18 -0.00 -0.15 0.00 1.07 0.00 0.00 27.48 29.57 1h47 h GLN 101 CO 0.21 0.86 0.42 0.00 -2.65 0.00 0.00 178.83 177.67 1h47 s ALA 102 N -4.32 -1.78 1.07 3.38 0.00 -1.26 -4.80 121.76 114.05 1h47 s ALA 102 Ca -0.08 0.97 -0.17 0.00 0.00 0.00 0.00 51.96 52.69 1h47 s ALA 102 Cb 0.13 0.39 0.23 0.00 0.00 0.00 0.00 23.12 23.87 1h47 s ALA 102 CO 0.82 -0.65 1.17 -1.25 0.00 0.00 0.00 175.76 175.85 1h47 s PRO 103 N -2.95 -0.20 0.15 0.00 0.04 -1.26 -4.98 135.00 125.80 1h47 s PRO 103 Ca 0.02 -0.04 -0.31 0.00 0.04 0.00 0.00 61.00 60.72 1h47 s PRO 103 Cb -0.01 -1.71 -0.09 0.00 0.04 0.00 0.00 34.50 32.73 1h47 s PRO 103 CO -0.08 -3.04 1.45 0.21 0.04 0.00 0.00 177.00 175.59 1h47 s LYS 104 N -5.46 4.28 -0.08 4.56 2.47 -1.26 -4.93 119.74 119.32 1h47 s LYS 104 Ca 0.70 2.20 0.16 0.00 -1.56 0.00 0.00 55.97 57.47 1h47 s LYS 104 Cb -0.10 -3.20 -0.24 0.00 -1.46 0.00 0.00 37.83 32.83 1h47 s LYS 104 CO 0.55 -0.48 0.25 -1.33 0.16 0.00 0.00 175.35 174.49 1h47 n MET 105 N 3.71 0.87 -0.18 4.03 2.81 -1.26 -4.75 117.12 122.35 1h47 n MET 105 Ca 0.11 -0.10 -0.02 0.00 -1.81 0.00 0.00 57.70 55.89 1h47 n MET 105 Cb 0.41 -1.41 0.05 0.00 -0.71 0.00 0.00 33.22 31.55 1h47 n MET 105 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1h47 h LEU 106 N 0.00 -0.47 -2.06 4.03 5.85 -1.98 -1.03 115.31 119.64 1h47 h LEU 106 Ca -0.18 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1h47 h LEU 106 Cb 1.28 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 42.63 1h47 h LEU 106 CO 0.01 -0.17 -0.07 1.55 -0.34 0.00 0.00 178.44 179.42 1h47 h PRO 107 N 0.01 0.00 0.00 5.25 0.14 -2.03 -2.80 132.00 132.58 1h47 h PRO 107 Ca 0.26 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.40 1h47 h PRO 107 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.54 1h47 h PRO 107 CO -0.55 0.07 -0.79 0.72 0.14 0.00 0.00 178.00 177.60 1h47 n HIS 108 N -3.47 0.37 -0.14 1.56 8.25 -0.42 -4.36 115.22 117.00 1h47 n HIS 108 Ca -0.02 0.11 -0.09 0.00 -0.26 0.00 0.00 57.72 57.46 1h47 n HIS 108 Cb 0.21 -0.52 -0.00 0.00 1.12 0.00 0.00 29.99 30.80 1h47 n HIS 108 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1h47 h ILE 109 N 0.00 1.18 -0.77 1.59 1.08 -1.20 -2.93 117.51 116.47 1h47 h ILE 109 Ca 0.00 -0.54 0.17 0.00 -0.39 0.00 0.00 64.86 64.10 1h47 h ILE 109 Cb 0.71 0.77 -0.11 0.00 -3.07 0.00 0.00 36.82 35.12 1h47 h ILE 109 CO 0.00 0.20 0.23 -0.65 -0.69 0.00 0.00 178.15 177.24 1h47 h PRO 110 N 0.53 0.30 -0.07 2.37 0.11 -1.76 -1.43 132.00 132.05 1h47 h PRO 110 Ca 0.14 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 66.08 1h47 h PRO 110 Cb 0.14 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 1h47 h PRO 110 CO -0.02 0.20 -0.65 1.96 -0.21 0.00 0.00 178.00 179.28 1h47 h GLN 111 N 0.31 0.27 -0.41 1.05 4.20 -1.83 -2.71 115.11 115.99 1h47 h GLN 111 Ca 0.44 -0.20 0.08 0.00 0.06 0.00 0.00 58.65 59.03 1h47 h GLN 111 Cb 0.76 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.51 1h47 h GLN 111 CO -0.51 0.82 -0.03 0.52 -0.67 0.00 0.00 178.83 178.97 1h47 h MET 112 N 0.19 0.07 -0.68 1.46 2.86 -1.12 0.18 114.93 117.88 1h47 h MET 112 Ca -0.01 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1h47 h MET 112 Cb 1.18 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.79 1h47 h MET 112 CO 0.10 0.04 0.35 0.00 1.06 0.00 0.00 176.91 178.47 1h47 h ARG 113 N 0.07 0.97 -0.30 1.72 3.08 -1.11 0.14 114.38 118.96 1h47 h ARG 113 Ca 0.20 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1h47 h ARG 113 Cb 0.30 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1h47 h ARG 113 CO -0.37 0.75 0.19 0.28 -1.07 0.00 0.00 179.97 179.75 1h47 h VAL 114 N 0.94 1.10 -0.72 2.04 2.07 -1.27 -0.34 116.25 120.07 1h47 h VAL 114 Ca 0.24 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 1h47 h VAL 114 Cb 0.08 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1h47 h VAL 114 CO -0.03 0.09 0.23 -0.26 0.02 0.00 0.00 177.57 177.62 1h47 h PHE 115 N 0.39 1.15 -0.23 1.57 0.04 -0.57 -1.05 116.94 118.23 1h47 h PHE 115 Ca 0.11 -0.11 -0.09 0.00 2.80 0.00 0.00 57.97 60.67 1h47 h PHE 115 Cb -0.01 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 37.80 1h47 h PHE 115 CO -0.05 0.91 -0.22 0.82 -0.60 0.00 0.00 178.31 179.17 1h47 h ILE 116 N 1.07 1.32 -0.87 -0.55 2.04 -0.51 -1.52 117.51 118.49 1h47 h ILE 116 Ca 0.23 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.70 1h47 h ILE 116 Cb 0.30 1.69 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 1h47 h ILE 116 CO -0.01 0.43 0.46 0.00 0.00 0.00 0.00 178.15 179.02 1h47 h ALA 117 N 0.67 1.11 -0.05 1.87 0.00 -0.92 -0.19 119.26 121.76 1h47 h ALA 117 Ca 0.04 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1h47 h ALA 117 Cb 0.77 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1h47 h ALA 117 CO 0.05 0.64 -0.25 0.93 0.00 0.00 0.00 179.25 180.62 1h47 h GLU 118 N 1.22 -0.35 -0.03 0.00 5.08 -1.12 0.27 114.58 119.66 1h47 h GLU 118 Ca 0.30 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.63 1h47 h GLU 118 Cb 0.06 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1h47 h GLU 118 CO -0.05 -0.23 -0.26 -0.44 -1.00 0.00 0.00 179.01 177.03 1h47 h ASP 119 N -0.36 0.05 0.01 1.42 3.32 -0.62 -2.40 116.42 117.85 1h47 h ASP 119 Ca 0.08 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1h47 h ASP 119 Cb 0.47 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1h47 h ASP 119 CO -0.26 0.32 -0.27 0.18 -1.72 0.00 0.00 179.24 177.49 1h47 n LEU 120 N -4.21 2.16 -2.57 1.55 4.77 -0.14 -4.74 117.00 113.82 1h47 n LEU 120 Ca -0.02 -0.75 -0.19 0.00 -0.03 0.00 0.00 56.01 55.03 1h47 n LEU 120 Cb 0.33 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.44 1h47 n LEU 120 CO 0.38 0.38 0.02 0.61 -1.33 0.00 0.00 177.39 177.45 1h47 n GLY 121 N 1.37 -0.31 3.72 -0.72 0.00 -0.01 -4.92 105.19 104.32 1h47 n GLY 121 Ca 0.12 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1h47 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h47 s HIS 123 N -2.86 3.21 0.46 0.00 3.76 -1.26 -4.57 115.29 114.03 1h47 s HIS 123 Ca 0.12 1.52 0.17 0.00 -0.15 0.00 0.00 55.06 56.72 1h47 s HIS 123 Cb 0.03 -2.92 1.14 0.00 1.11 0.00 0.00 32.58 31.94 1h47 s HIS 123 CO 0.06 -0.64 1.99 0.52 -0.85 0.00 0.00 174.74 175.82 1h47 h MET 124 N 1.04 0.27 0.00 1.40 0.00 -1.93 -1.85 114.93 113.87 1h47 h MET 124 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 59.70 59.21 1h47 h MET 124 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 31.60 32.74 1h47 h MET 124 CO 0.60 0.18 0.00 -3.47 0.00 0.00 0.00 176.91 174.22 1h47 n ASP 125 N -4.45 0.24 -0.71 1.22 4.64 -1.26 -1.38 116.55 114.84 1h47 n ASP 125 Ca 0.09 0.55 0.10 0.00 -1.38 0.00 0.00 54.79 54.16 1h47 n ASP 125 Cb 0.42 -0.61 0.31 0.00 -1.04 0.00 0.00 41.12 40.21 1h47 n ASP 125 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 1h47 n ASP 126 N -1.76 2.13 -3.92 1.67 8.00 -0.69 -4.86 116.55 117.12 1h47 n ASP 126 Ca 0.03 -1.81 -0.27 0.00 0.71 0.00 0.00 54.79 53.45 1h47 n ASP 126 Cb 0.22 -0.16 -0.17 0.00 -0.02 0.00 0.00 41.12 40.99 1h47 n ASP 126 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1h47 s VAL 127 N -1.68 1.06 -0.07 2.53 1.01 -0.48 -1.65 120.40 121.13 1h47 s VAL 127 Ca 0.33 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.03 1h47 s VAL 127 Cb 0.18 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 1h47 s VAL 127 CO 0.26 0.37 -0.17 0.21 0.00 0.00 0.00 175.10 175.78 1h47 s ASN 128 N 1.66 3.75 -0.03 3.32 2.47 -0.78 -4.98 114.94 120.34 1h47 s ASN 128 Ca 0.04 -0.32 0.01 0.00 0.42 0.00 0.00 52.86 53.01 1h47 s ASN 128 Cb -0.13 -1.06 0.01 0.00 -1.45 0.00 0.00 41.25 38.63 1h47 s ASN 128 CO -0.08 0.27 -0.05 -0.69 -3.72 0.00 0.00 177.10 172.83 1h47 s VAL 129 N -0.26 0.49 0.16 -5.21 1.01 -1.26 -1.20 120.40 114.12 1h47 s VAL 129 Ca 0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 1h47 s VAL 129 Cb -0.13 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1h47 s VAL 129 CO 0.03 0.19 0.06 -1.59 0.00 0.00 0.00 175.10 173.79 1h47 s LYS 130 N 0.55 1.04 0.04 2.72 -2.85 -0.58 -4.97 119.74 115.68 1h47 s LYS 130 Ca -0.07 -1.51 0.03 0.00 -1.00 0.00 0.00 55.97 53.42 1h47 s LYS 130 Cb -0.10 0.12 -0.02 0.00 -2.06 0.00 0.00 37.83 35.77 1h47 s LYS 130 CO -0.00 -0.26 -0.08 0.00 0.10 0.00 0.00 175.35 175.10 1h47 s ALA 131 N -3.98 0.64 0.05 0.59 0.00 -1.26 -1.01 121.76 116.79 1h47 s ALA 131 Ca 0.27 -0.75 -0.10 0.00 0.00 0.00 0.00 51.96 51.39 1h47 s ALA 131 Cb 0.07 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1h47 s ALA 131 CO 0.05 0.02 0.20 -0.08 0.00 0.00 0.00 175.76 175.95 1h47 s THR 132 N -1.25 0.11 0.53 0.00 -1.32 -0.20 -4.95 115.64 108.57 1h47 s THR 132 Ca -0.08 -0.94 0.09 0.00 -1.21 0.00 0.00 61.69 59.55 1h47 s THR 132 Cb -0.09 -1.02 0.06 0.00 -1.51 0.00 0.00 72.50 69.95 1h47 s THR 132 CO 0.01 -0.52 0.71 0.42 -2.21 0.00 0.00 174.62 173.03 1h47 s THR 133 N -2.88 2.33 -0.22 5.08 -4.23 -1.25 -1.34 115.64 113.13 1h47 s THR 133 Ca -0.03 -1.03 0.13 0.00 -1.18 0.00 0.00 61.69 59.58 1h47 s THR 133 Cb 0.00 -2.36 0.45 0.00 1.34 0.00 0.00 72.50 71.93 1h47 s THR 133 CO -0.06 0.00 1.34 0.35 -0.54 0.00 0.00 174.62 175.71 1h47 n THR 134 N -2.12 2.29 -3.75 3.99 -2.24 -1.26 -4.88 114.28 106.32 1h47 n THR 134 Ca 0.13 -2.60 -0.23 0.00 -2.27 0.00 0.00 64.05 59.07 1h47 n THR 134 Cb 0.61 -0.27 0.03 0.00 -2.10 0.00 0.00 70.33 68.60 1h47 n THR 134 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1h47 n GLU 135 N -1.07 -5.14 -0.98 -0.78 1.02 -1.26 -1.31 120.64 111.12 1h47 n GLU 135 Ca 0.24 0.62 0.00 0.00 -0.02 0.00 0.00 57.16 58.00 1h47 n GLU 135 Cb 0.85 -5.27 0.00 0.00 -0.02 0.00 0.00 31.44 27.00 1h47 n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1h47 n LYS 136 N -4.39 -0.87 -3.85 3.49 4.76 -1.26 -5.00 118.16 111.04 1h47 n LYS 136 Ca -0.21 0.22 -0.33 0.00 -2.87 0.00 0.00 58.31 55.12 1h47 n LYS 136 Cb 0.64 -3.92 -0.05 0.00 -1.84 0.00 0.00 35.03 29.86 1h47 n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1h47 s LEU 137 N 0.00 4.35 0.00 -0.35 1.43 -0.43 -3.96 118.68 119.72 1h47 s LEU 137 Ca 0.00 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 1h47 s LEU 137 Cb 0.00 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.40 1h47 s LEU 137 CO 0.00 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.39 1h47 n GLY 138 N 0.67 -1.82 0.24 -3.19 0.00 -1.26 -1.85 105.19 97.97 1h47 n GLY 138 Ca -0.08 -1.31 0.01 0.00 0.00 0.00 0.00 46.02 44.64 1h47 n GLY 138 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1h47 h PHE 139 N -0.19 0.31 -0.23 1.61 -0.00 -1.96 -0.99 116.94 115.47 1h47 h PHE 139 Ca 0.00 -0.04 -0.19 0.00 -0.00 0.00 0.00 57.97 57.74 1h47 h PHE 139 Cb 0.19 -0.08 0.00 0.00 -0.00 0.00 0.00 35.95 36.06 1h47 h PHE 139 CO 0.00 0.45 -0.61 1.79 -0.00 0.00 0.00 178.31 179.93 1h47 h THR 140 N 0.27 1.28 -0.44 0.88 1.35 -1.76 -1.20 112.91 113.28 1h47 h THR 140 Ca 0.05 -1.80 -0.03 0.00 -0.55 0.00 0.00 66.41 64.08 1h47 h THR 140 Cb 0.46 1.78 -0.02 0.00 -1.73 0.00 0.00 68.15 68.63 1h47 h THR 140 CO 0.03 0.58 0.15 1.23 -0.25 0.00 0.00 175.52 177.26 1h47 h GLY 141 N 0.59 0.69 -1.95 5.82 0.00 -0.60 -1.74 103.07 105.88 1h47 h GLY 141 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1h47 h GLY 141 CO 0.13 0.33 0.00 0.54 0.00 0.00 0.00 176.54 177.54 1h47 n ARG 142 N -4.34 2.56 -2.29 4.80 1.74 -0.45 -4.21 116.66 114.47 1h47 n ARG 142 Ca 0.03 -1.52 -0.14 0.00 -0.77 0.00 0.00 57.85 55.45 1h47 n ARG 142 Cb 0.17 -1.66 -0.01 0.00 -1.02 0.00 0.00 32.46 29.95 1h47 n ARG 142 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1h47 n GLY 143 N 0.64 -0.20 0.01 -0.13 0.00 -0.65 -4.89 105.19 99.97 1h47 n GLY 143 Ca 0.14 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.97 1h47 n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h47 n GLU 144 N -2.36 0.09 0.00 1.61 1.02 -0.46 -4.85 120.64 115.69 1h47 n GLU 144 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1h47 n GLU 144 Cb 0.62 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 1h47 n GLU 144 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h47 n GLY 145 N 1.46 -0.90 3.11 0.62 0.00 -1.23 -1.65 105.19 106.60 1h47 n GLY 145 Ca 0.04 -1.06 -0.22 0.00 0.00 0.00 0.00 46.02 44.78 1h47 n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h47 s ILE 146 N -2.00 1.12 0.30 -0.61 1.01 -0.80 -4.36 121.20 115.85 1h47 s ILE 146 Ca 0.00 -0.66 0.11 0.00 0.00 0.00 0.00 60.65 60.10 1h47 s ILE 146 Cb 0.00 -0.94 -0.05 0.00 0.01 0.00 0.00 42.46 41.48 1h47 s ILE 146 CO 0.00 0.27 -0.14 0.00 0.00 0.00 0.00 174.94 175.07 1h47 s ALA 147 N -0.40 2.86 -0.09 9.38 0.00 -0.08 -2.06 121.76 131.37 1h47 s ALA 147 Ca 0.05 -1.90 -0.07 0.00 0.00 0.00 0.00 51.96 50.04 1h47 s ALA 147 Cb -0.06 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.82 1h47 s ALA 147 CO -0.00 0.22 0.23 0.00 0.00 0.00 0.00 175.76 176.22 1h47 s GLU 149 N 0.55 2.21 -0.01 0.00 0.41 0.09 -1.73 118.70 120.22 1h47 s GLU 149 Ca -0.03 -1.00 -0.17 0.00 -0.41 0.00 0.00 54.97 53.35 1h47 s GLU 149 Cb -0.05 -2.35 0.03 0.00 -1.78 0.00 0.00 34.13 29.98 1h47 s GLU 149 CO -0.03 0.51 0.36 0.00 -0.49 0.00 0.00 175.26 175.61 1h47 s ALA 150 N -1.28 -0.90 0.10 5.21 0.00 -0.58 0.22 121.76 124.54 1h47 s ALA 150 Ca 0.23 0.40 0.05 0.00 0.00 0.00 0.00 51.96 52.63 1h47 s ALA 150 Cb -0.11 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 1h47 s ALA 150 CO 0.15 -0.30 -0.12 0.14 0.00 0.00 0.00 175.76 175.63 1h47 s VAL 151 N -1.51 1.09 -0.03 0.00 -7.23 -0.47 -1.04 120.40 111.20 1h47 s VAL 151 Ca -0.12 -1.65 -0.08 0.00 -1.81 0.00 0.00 61.98 58.33 1h47 s VAL 151 Cb -0.04 -1.40 0.01 0.00 0.56 0.00 0.00 36.38 35.51 1h47 s VAL 151 CO 0.04 -0.49 0.18 0.00 -0.31 0.00 0.00 175.10 174.52 1h47 s ALA 152 N -2.27 -0.44 -0.11 1.32 0.00 -0.55 -1.98 121.76 117.73 1h47 s ALA 152 Ca 0.06 0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.26 1h47 s ALA 152 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1h47 s ALA 152 CO 0.01 -0.16 -0.23 -1.17 0.00 0.00 0.00 175.76 174.20 1h47 s LEU 153 N -0.74 2.10 0.25 0.00 2.96 -0.18 -1.49 118.68 121.57 1h47 s LEU 153 Ca -0.08 -0.56 0.09 0.00 -0.22 0.00 0.00 54.13 53.35 1h47 s LEU 153 Cb -0.05 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 1h47 s LEU 153 CO 0.01 0.15 0.04 -0.76 -1.32 0.00 0.00 176.35 174.47 1h47 s LEU 154 N 0.43 3.34 -0.07 -0.68 1.43 0.34 -0.67 118.68 122.80 1h47 s LEU 154 Ca -0.17 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 52.44 1h47 s LEU 154 Cb -0.18 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 1h47 s LEU 154 CO 0.07 0.01 -0.14 -0.63 0.23 0.00 0.00 176.35 175.89 1h47 s ILE 155 N -2.17 3.02 -1.02 -0.59 1.01 -0.36 -0.80 121.20 120.30 1h47 s ILE 155 Ca 0.31 -0.72 0.08 0.00 0.00 0.00 0.00 60.65 60.32 1h47 s ILE 155 Cb -0.07 -2.20 0.06 0.00 0.01 0.00 0.00 42.46 40.26 1h47 s ILE 155 CO 0.21 0.57 0.76 1.17 0.00 0.00 0.00 174.94 177.65