#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1npm s LEU 17 N 0.00 3.73 -1.45 1.39 1.43 -0.26 -4.12 118.68 119.40 1npm s LEU 17 Ca 0.00 -0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 52.94 1npm s LEU 17 Cb 0.00 -2.42 0.07 0.00 0.03 0.00 0.00 46.19 43.87 1npm s LEU 17 CO 0.00 0.17 0.73 -0.62 0.23 0.00 0.00 176.35 176.86 1npm n GLU 18 N 0.44 -4.59 0.00 1.70 -0.58 -1.26 -2.91 120.64 113.44 1npm n GLU 18 Ca -0.09 0.60 0.00 0.00 -0.42 0.00 0.00 57.16 57.25 1npm n GLU 18 Cb 0.52 -5.42 0.00 0.00 -0.57 0.00 0.00 31.44 25.96 1npm n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1npm n GLY 19 N -1.46 5.69 3.68 0.62 0.00 -1.26 -4.72 105.19 107.74 1npm n GLY 19 Ca -0.01 -1.72 -0.08 0.00 0.00 0.00 0.00 46.02 44.21 1npm n GLY 19 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1npm s ARG 20 N 1.74 1.44 0.07 1.61 3.03 -0.28 -4.96 118.95 121.60 1npm s ARG 20 Ca 0.00 -0.71 -0.35 0.00 2.03 0.00 0.00 55.73 56.70 1npm s ARG 20 Cb 0.00 0.55 -0.14 0.00 -1.03 0.00 0.00 34.95 34.32 1npm s ARG 20 CO 0.00 -0.65 1.59 -1.91 -1.13 0.00 0.00 175.30 173.20 1npm n GLU 21 N -0.42 1.85 -1.22 3.89 2.13 -1.26 -0.38 120.64 125.22 1npm n GLU 21 Ca -0.09 0.67 -0.30 0.00 0.66 0.00 0.00 57.16 58.10 1npm n GLU 21 Cb 0.61 -2.42 0.13 0.00 0.27 0.00 0.00 31.44 30.04 1npm n GLU 21 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1npm s ILE 23 N -2.94 3.85 -0.28 0.00 1.01 -1.26 -4.88 121.20 116.71 1npm s ILE 23 Ca 0.63 1.31 -0.43 0.00 0.00 0.00 0.00 60.65 62.15 1npm s ILE 23 Cb -0.18 -3.84 -0.19 0.00 0.01 0.00 0.00 42.46 38.26 1npm s ILE 23 CO 0.57 0.08 1.42 -2.65 0.00 0.00 0.00 174.94 174.35 1npm n PRO 24 N 4.26 0.16 -1.65 2.79 -0.02 -1.26 -0.93 135.00 138.35 1npm n PRO 24 Ca 0.10 0.06 -0.21 0.00 -2.02 0.00 0.00 63.50 61.43 1npm n PRO 24 Cb 0.45 -1.58 -0.08 0.00 -0.02 0.00 0.00 33.50 32.26 1npm n PRO 24 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1npm n HIS 25 N 3.18 -0.06 0.47 6.00 8.25 -1.26 -4.86 115.22 126.94 1npm n HIS 25 Ca 0.26 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.85 1npm n HIS 25 Cb 0.02 -3.49 0.46 0.00 1.12 0.00 0.00 29.99 28.09 1npm n HIS 25 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1npm h SER 26 N 0.00 0.00 -2.46 0.41 4.64 -1.41 -3.27 113.55 111.45 1npm h SER 26 Ca -0.43 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.29 1npm h SER 26 Cb 1.35 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 63.03 1npm h SER 26 CO 0.62 0.00 -0.66 0.00 -0.87 0.00 0.00 176.83 175.92 1npm n GLN 27 N -2.33 1.99 0.22 4.77 1.13 -1.26 -4.97 117.38 116.92 1npm n GLN 27 Ca 0.03 -4.38 0.17 0.00 -1.94 0.00 0.00 57.00 50.88 1npm n GLN 27 Cb 0.32 -2.13 0.74 0.00 0.11 0.00 0.00 30.24 29.28 1npm n GLN 27 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1npm h PRO 28 N 4.62 0.00 -0.01 -1.09 0.11 -1.79 -1.78 132.00 132.06 1npm h PRO 28 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1npm h PRO 28 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1npm h PRO 28 CO 0.74 0.00 -0.32 -2.67 -0.21 0.00 0.00 178.00 175.54 1npm n TRP 29 N -3.23 0.00 -1.88 0.65 2.14 -1.17 -2.51 117.44 111.45 1npm n TRP 29 Ca 0.03 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.18 1npm n TRP 29 Cb 0.54 -0.11 -0.03 0.00 -0.81 0.00 0.00 31.31 30.90 1npm n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1npm s GLN 30 N -2.55 4.17 0.42 -2.67 2.00 -0.67 -0.32 119.66 120.04 1npm s GLN 30 Ca 0.22 2.35 0.07 0.00 -2.00 0.00 0.00 55.36 56.01 1npm s GLN 30 Cb 0.19 -3.99 -0.06 0.00 0.80 0.00 0.00 33.01 29.94 1npm s GLN 30 CO 0.55 -0.87 0.10 0.00 -0.50 0.00 0.00 175.29 174.57 1npm s ALA 31 N 3.99 3.42 -0.10 1.58 0.00 -0.44 -4.26 121.76 125.95 1npm s ALA 31 Ca 0.79 -2.14 -0.06 0.00 0.00 0.00 0.00 51.96 50.55 1npm s ALA 31 Cb -0.37 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 22.67 1npm s ALA 31 CO 0.34 -0.15 0.25 0.00 0.00 0.00 0.00 175.76 176.20 1npm s ALA 32 N -2.66 -0.58 -0.24 0.00 0.00 -0.65 -0.87 121.76 116.76 1npm s ALA 32 Ca 0.37 0.93 -0.17 0.00 0.00 0.00 0.00 51.96 53.09 1npm s ALA 32 Cb 0.07 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 1npm s ALA 32 CO 0.20 -0.18 0.48 -0.51 0.00 0.00 0.00 175.76 175.75 1npm s LEU 33 N 0.97 4.08 0.10 0.00 1.43 -0.04 -1.10 118.68 124.12 1npm s LEU 33 Ca -0.07 0.51 0.10 0.00 -1.03 0.00 0.00 54.13 53.64 1npm s LEU 33 Cb -0.08 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 1npm s LEU 33 CO -0.06 -0.22 -0.26 -0.36 0.23 0.00 0.00 176.35 175.67 1npm s PHE 34 N 2.03 2.23 -0.67 0.29 0.40 -0.00 -0.53 117.98 121.72 1npm s PHE 34 Ca 0.20 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 56.19 1npm s PHE 34 Cb -0.15 -1.25 0.18 0.00 0.51 0.00 0.00 43.02 42.31 1npm s PHE 34 CO 0.09 0.26 0.51 1.04 0.70 0.00 0.00 175.22 177.82 1npm n GLN 35 N 1.18 1.76 0.00 0.44 6.02 -0.72 -0.90 117.38 125.17 1npm n GLN 35 Ca -0.18 -4.39 0.00 0.00 -0.01 0.00 0.00 57.00 52.42 1npm n GLN 35 Cb 0.53 -2.22 0.00 0.00 1.02 0.00 0.00 30.24 29.56 1npm n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1npm n GLY 36 N 1.90 1.32 1.64 1.08 0.00 -1.26 -2.86 105.19 107.01 1npm n GLY 36 Ca 0.22 -0.67 0.05 0.00 0.00 0.00 0.00 46.02 45.62 1npm n GLY 36 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1npm n GLU 38 N 10.23 4.14 -3.70 1.61 4.71 -1.26 -4.91 120.64 131.46 1npm n GLU 38 Ca 0.00 -3.08 -0.38 0.00 -0.01 0.00 0.00 57.16 53.69 1npm n GLU 38 Cb 0.00 -2.15 -0.12 0.00 -1.01 0.00 0.00 31.44 28.17 1npm n GLU 38 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 1npm s ARG 39 N -2.84 2.95 -0.01 3.49 6.06 -1.14 -5.07 118.95 122.39 1npm s ARG 39 Ca 0.51 -0.97 -0.30 0.00 -2.50 0.00 0.00 55.73 52.47 1npm s ARG 39 Cb 0.40 -3.52 -0.06 0.00 0.06 0.00 0.00 34.95 31.83 1npm s ARG 39 CO 0.13 -0.56 1.59 -1.17 -2.50 0.00 0.00 175.30 172.79 1npm s LEU 40 N 1.51 4.33 -0.21 -0.88 2.96 -1.26 -1.75 118.68 123.38 1npm s LEU 40 Ca 0.02 2.26 -0.17 0.00 -0.22 0.00 0.00 54.13 56.02 1npm s LEU 40 Cb -0.18 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 42.84 1npm s LEU 40 CO 0.04 -0.86 -0.07 -0.38 -1.32 0.00 0.00 176.35 173.75 1npm n ILE 41 N 5.10 1.50 -3.87 6.68 2.08 0.31 -4.97 119.36 126.20 1npm n ILE 41 Ca 0.16 -0.04 -0.10 0.00 0.56 0.00 0.00 62.75 63.34 1npm n ILE 41 Cb 0.42 -2.12 0.01 0.00 -0.75 0.00 0.00 39.64 37.20 1npm n ILE 41 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1npm s GLY 43 N -3.08 1.84 0.37 0.00 0.00 0.12 -0.86 107.32 105.71 1npm s GLY 43 Ca 0.18 -1.92 -0.12 0.00 0.00 0.00 0.00 44.72 42.86 1npm s GLY 43 CO 0.12 -1.60 0.68 -0.32 0.00 0.00 0.00 173.10 171.99 1npm s GLY 44 N -4.51 0.72 -0.02 0.20 0.00 -0.04 -3.73 107.32 99.93 1npm s GLY 44 Ca 0.58 -0.99 0.01 0.00 0.00 0.00 0.00 44.72 44.32 1npm s GLY 44 CO 0.36 -0.53 -0.01 0.14 0.00 0.00 0.00 173.10 173.06 1npm s VAL 45 N -2.61 0.18 -0.20 1.40 1.01 -0.02 -1.33 120.40 118.83 1npm s VAL 45 Ca 0.20 0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.97 1npm s VAL 45 Cb -0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 1npm s VAL 45 CO 0.14 0.12 0.78 -0.22 0.00 0.00 0.00 175.10 175.93 1npm s LEU 46 N 0.72 4.13 0.00 3.92 2.96 0.56 0.39 118.68 131.36 1npm s LEU 46 Ca -0.07 1.04 0.04 0.00 -0.22 0.00 0.00 54.13 54.92 1npm s LEU 46 Cb -0.10 -3.14 -0.01 0.00 0.50 0.00 0.00 46.19 43.44 1npm s LEU 46 CO -0.01 -0.41 0.35 1.33 -1.32 0.00 0.00 176.35 176.28 1npm n VAL 47 N 4.93 0.00 -3.64 1.68 0.24 -0.52 -1.28 118.33 119.74 1npm n VAL 47 Ca 0.04 -0.45 -0.04 0.00 -2.04 0.00 0.00 64.34 61.84 1npm n VAL 47 Cb 0.48 1.03 -0.01 0.00 -1.47 0.00 0.00 33.84 33.88 1npm n VAL 47 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1npm s GLY 48 N -0.91 -0.34 0.00 7.63 0.00 -1.08 -4.80 107.32 107.81 1npm s GLY 48 Ca 0.03 0.64 0.10 0.00 0.00 0.00 0.00 44.72 45.48 1npm s GLY 48 CO 0.10 0.18 1.30 2.09 0.00 0.00 0.00 173.10 176.77 1npm n ASP 49 N -0.37 0.00 0.00 1.64 5.68 -1.26 -2.14 116.55 120.10 1npm n ASP 49 Ca -0.07 0.43 0.00 0.00 -0.50 0.00 0.00 54.79 54.66 1npm n ASP 49 Cb 0.61 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1npm n ASP 49 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1npm n ARG 50 N -1.46 0.22 -4.65 0.11 3.00 -1.26 -1.09 116.66 111.52 1npm n ARG 50 Ca 0.03 -0.55 -0.23 0.00 -0.00 0.00 0.00 57.85 57.10 1npm n ARG 50 Cb 0.11 -0.78 -0.15 0.00 0.00 0.00 0.00 32.46 31.63 1npm n ARG 50 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1npm s TRP 51 N -0.20 1.31 -0.05 -0.14 0.52 -0.91 -0.48 118.94 119.00 1npm s TRP 51 Ca 0.00 -0.28 0.02 0.00 0.02 0.00 0.00 56.10 55.86 1npm s TRP 51 Cb 0.00 -0.86 0.01 0.00 -1.15 0.00 0.00 33.47 31.47 1npm s TRP 51 CO 0.00 -0.06 -0.10 0.08 0.02 0.00 0.00 176.95 176.89 1npm s VAL 52 N -0.20 0.92 -0.10 4.03 1.01 -0.76 -1.43 120.40 123.87 1npm s VAL 52 Ca 0.03 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 1npm s VAL 52 Cb -0.07 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1npm s VAL 52 CO 0.00 0.30 0.18 -0.76 0.00 0.00 0.00 175.10 174.82 1npm s LEU 53 N 0.54 4.40 0.00 3.92 1.43 0.16 -0.26 118.68 128.86 1npm s LEU 53 Ca -0.10 0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 53.51 1npm s LEU 53 Cb -0.13 -2.15 0.02 0.00 0.03 0.00 0.00 46.19 43.95 1npm s LEU 53 CO 0.02 0.39 0.36 0.35 0.23 0.00 0.00 176.35 177.70 1npm n THR 54 N 1.99 0.00 -3.16 5.49 -2.24 -0.56 -0.84 114.28 114.96 1npm n THR 54 Ca -0.19 -0.89 -0.39 0.00 -2.27 0.00 0.00 64.05 60.31 1npm n THR 54 Cb 0.55 0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 69.35 1npm n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1npm s ALA 55 N -2.06 3.51 0.56 6.98 0.00 -1.26 -0.79 121.76 128.70 1npm s ALA 55 Ca 0.15 0.13 0.25 0.00 0.00 0.00 0.00 51.96 52.49 1npm s ALA 55 Cb -0.01 -2.77 1.51 0.00 0.00 0.00 0.00 23.12 21.84 1npm s ALA 55 CO 0.11 0.27 2.09 0.00 0.00 0.00 0.00 175.76 178.23 1npm h ALA 56 N 4.93 2.02 0.00 0.00 0.00 -1.68 -1.31 119.26 123.23 1npm h ALA 56 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1npm h ALA 56 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1npm h ALA 56 CO 0.67 -0.31 0.00 -2.39 0.00 0.00 0.00 179.25 177.21 1npm n HIS 57 N -4.12 0.00 0.81 0.00 1.44 -1.26 -2.73 115.22 109.36 1npm n HIS 57 Ca 0.03 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.86 1npm n HIS 57 Cb 0.34 -0.15 0.24 0.00 0.12 0.00 0.00 29.99 30.53 1npm n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1npm n LYS 59 N -1.77 1.80 -4.26 0.00 4.81 -1.10 -4.95 118.16 112.68 1npm n LYS 59 Ca 0.05 0.65 -0.18 0.00 -0.87 0.00 0.00 58.31 57.96 1npm n LYS 59 Cb 0.38 -2.38 -0.11 0.00 0.02 0.00 0.00 35.03 32.94 1npm n LYS 59 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1npm s LYS 60 N 1.13 1.08 0.40 1.64 -0.14 -1.26 -5.05 119.74 117.55 1npm s LYS 60 Ca 0.82 -1.30 0.17 0.00 -1.36 0.00 0.00 55.97 54.30 1npm s LYS 60 Cb -0.78 -0.94 0.86 0.00 -1.68 0.00 0.00 37.83 35.29 1npm s LYS 60 CO 0.43 0.17 1.85 1.96 -0.76 0.00 0.00 175.35 179.01 1npm h GLN 61 N 3.34 0.00 -2.91 1.68 7.50 -2.04 -3.42 115.11 119.26 1npm h GLN 61 Ca -0.40 0.00 -0.23 0.00 0.50 0.00 0.00 58.65 58.52 1npm h GLN 61 Cb 1.20 0.00 -0.33 0.00 0.05 0.00 0.00 27.48 28.40 1npm h GLN 61 CO 0.53 0.32 -0.55 -1.59 -1.50 0.00 0.00 178.83 176.04 1npm s LYS 62 N -4.05 0.12 -0.07 1.46 -2.85 -1.26 -5.15 119.74 107.94 1npm s LYS 62 Ca -0.02 0.71 -0.29 0.00 -1.00 0.00 0.00 55.97 55.36 1npm s LYS 62 Cb 0.13 -0.08 0.11 0.00 -2.06 0.00 0.00 37.83 35.92 1npm s LYS 62 CO 0.69 -0.29 0.88 1.52 0.10 0.00 0.00 175.35 178.25 1npm s TYR 63 N 2.39 -0.43 0.39 1.78 1.13 -1.26 -4.80 117.35 116.54 1npm s TYR 63 Ca 0.02 0.59 0.08 0.00 -1.41 0.00 0.00 57.07 56.34 1npm s TYR 63 Cb -0.12 0.47 -0.04 0.00 -1.10 0.00 0.00 41.96 41.18 1npm s TYR 63 CO -0.08 -0.48 0.23 -1.54 -2.51 0.00 0.00 175.55 171.16 1npm s SER 64 N -1.63 4.70 -0.11 -0.18 1.04 -0.08 -4.12 113.70 113.33 1npm s SER 64 Ca -0.01 -0.87 0.03 0.00 0.48 0.00 0.00 55.95 55.58 1npm s SER 64 Cb -0.01 -0.60 0.00 0.00 0.10 0.00 0.00 66.02 65.52 1npm s SER 64 CO -0.01 -0.49 -0.23 -0.69 0.98 0.00 0.00 173.24 172.81 1npm s VAL 65 N -2.50 2.01 -0.13 5.02 1.01 -0.29 -0.82 120.40 124.69 1npm s VAL 65 Ca 0.42 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 1npm s VAL 65 Cb -0.00 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1npm s VAL 65 CO 0.24 0.55 -0.02 -0.13 0.00 0.00 0.00 175.10 175.74 1npm s ARG 66 N 0.56 3.43 0.34 2.72 0.52 -0.26 -0.72 118.95 125.54 1npm s ARG 66 Ca -0.14 -0.46 0.05 0.00 -0.52 0.00 0.00 55.73 54.66 1npm s ARG 66 Cb -0.17 -2.89 -0.07 0.00 0.52 0.00 0.00 34.95 32.34 1npm s ARG 66 CO 0.04 0.42 0.03 -0.51 0.02 0.00 0.00 175.30 175.30 1npm s LEU 67 N -0.11 2.40 -0.36 2.53 1.43 -0.12 -1.63 118.68 122.82 1npm s LEU 67 Ca 0.03 -1.34 0.00 0.00 -1.03 0.00 0.00 54.13 51.79 1npm s LEU 67 Cb -0.13 -0.55 0.00 0.00 0.03 0.00 0.00 46.19 45.55 1npm s LEU 67 CO 0.02 -0.52 0.00 0.61 0.23 0.00 0.00 176.35 176.69 1npm n GLY 69 N -0.73 0.38 3.85 -3.19 0.00 -1.26 -1.58 105.19 102.65 1npm n GLY 69 Ca -0.03 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1npm n GLY 69 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1npm s ASP 70 N -2.15 6.76 0.12 1.61 1.01 -1.26 -3.40 116.67 119.36 1npm s ASP 70 Ca 0.00 1.37 0.00 0.00 0.71 0.00 0.00 52.55 54.63 1npm s ASP 70 Cb 0.00 -2.41 0.00 0.00 1.01 0.00 0.00 42.92 41.52 1npm s ASP 70 CO 0.00 -0.30 0.00 1.57 0.21 0.00 0.00 175.17 176.65 1npm n HIS 71 N -0.67 -0.71 -4.21 4.23 -0.00 -1.26 -4.80 115.22 107.80 1npm n HIS 71 Ca 0.04 0.13 -0.36 0.00 -0.00 0.00 0.00 57.72 57.53 1npm n HIS 71 Cb 0.54 0.22 -0.08 0.00 -0.00 0.00 0.00 29.99 30.66 1npm n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1npm s SER 72 N -5.42 5.60 0.00 0.26 0.15 -1.26 -1.58 113.70 111.45 1npm s SER 72 Ca 0.00 0.24 0.31 0.00 0.70 0.00 0.00 55.95 57.20 1npm s SER 72 Cb 0.00 -1.66 1.62 0.00 -1.71 0.00 0.00 66.02 64.27 1npm s SER 72 CO 0.00 0.39 2.09 0.18 1.20 0.00 0.00 173.24 177.10 1npm n LEU 73 N 2.06 0.09 -1.66 3.45 4.77 -0.47 -3.06 117.00 122.18 1npm n LEU 73 Ca -0.19 0.13 -0.04 0.00 -0.03 0.00 0.00 56.01 55.88 1npm n LEU 73 Cb 0.54 -0.16 0.28 0.00 -2.33 0.00 0.00 43.42 41.75 1npm n LEU 73 CO 0.29 0.02 0.93 0.00 -1.33 0.00 0.00 177.39 177.30 1npm n GLN 74 N -1.10 3.20 -1.27 3.23 1.13 -1.26 -5.16 117.38 116.15 1npm n GLN 74 Ca 0.18 -3.06 -0.00 0.00 -1.94 0.00 0.00 57.00 52.18 1npm n GLN 74 Cb 0.20 -2.08 0.00 0.00 0.11 0.00 0.00 30.24 28.47 1npm n GLN 74 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1npm n SER 75 N -0.43 -0.04 -3.74 1.08 2.88 -1.17 -5.21 113.62 106.99 1npm n SER 75 Ca 0.37 -1.02 -0.41 0.00 -1.33 0.00 0.00 58.87 56.47 1npm n SER 75 Cb 1.25 0.06 0.02 0.00 -0.75 0.00 0.00 64.21 64.78 1npm n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1npm n GLN 78 N -0.01 5.16 -0.06 -1.46 10.64 -1.26 -4.93 117.38 125.47 1npm n GLN 78 Ca -0.00 -4.64 -0.13 0.00 -1.83 0.00 0.00 57.00 50.40 1npm n GLN 78 Cb 0.01 -2.48 -0.07 0.00 -0.86 0.00 0.00 30.24 26.84 1npm n GLN 78 CO 0.00 0.00 0.00 -1.35 -1.83 0.00 0.00 177.06 173.88 1npm h PRO 79 N 4.55 0.41 -6.58 2.61 0.11 -1.96 -3.45 132.00 127.68 1npm h PRO 79 Ca 0.44 -0.22 -0.58 0.00 0.11 0.00 0.00 66.00 65.75 1npm h PRO 79 Cb 0.40 0.01 0.08 0.00 0.11 0.00 0.00 31.00 31.60 1npm h PRO 79 CO 1.22 0.78 0.67 -0.85 -0.21 0.00 0.00 178.00 179.62 1npm n GLU 80 N -4.51 2.10 -4.00 1.05 0.00 -1.22 -4.47 120.64 109.60 1npm n GLU 80 Ca -0.06 0.75 -0.09 0.00 0.00 0.00 0.00 57.16 57.77 1npm n GLU 80 Cb 0.38 -2.44 -0.10 0.00 0.00 0.00 0.00 31.44 29.28 1npm n GLU 80 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1npm s GLN 81 N -0.10 0.44 -0.15 3.44 -0.21 -0.62 -4.97 119.66 117.49 1npm s GLN 81 Ca 0.70 -0.79 -0.01 0.00 0.02 0.00 0.00 55.36 55.28 1npm s GLN 81 Cb -0.65 0.16 0.04 0.00 1.00 0.00 0.00 33.01 33.56 1npm s GLN 81 CO 0.47 -0.08 -0.02 -2.00 -2.12 0.00 0.00 175.29 171.53 1npm s GLU 82 N -2.30 1.10 0.08 2.91 2.12 -1.26 -0.94 118.70 120.41 1npm s GLU 82 Ca -0.08 -0.36 0.09 0.00 0.36 0.00 0.00 54.97 54.98 1npm s GLU 82 Cb -0.04 -1.81 -0.03 0.00 0.26 0.00 0.00 34.13 32.51 1npm s GLU 82 CO -0.04 -0.45 -0.23 0.42 -0.54 0.00 0.00 175.26 174.42 1npm s ILE 83 N 1.75 2.45 0.65 -3.70 1.01 0.10 -4.96 121.20 118.50 1npm s ILE 83 Ca 0.01 -1.44 -0.11 0.00 0.00 0.00 0.00 60.65 59.11 1npm s ILE 83 Cb -0.15 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 1npm s ILE 83 CO -0.07 0.25 1.05 -1.10 0.00 0.00 0.00 174.94 175.07 1npm s GLN 84 N -1.63 3.35 -0.22 2.79 -1.52 -1.26 -1.14 119.66 120.02 1npm s GLN 84 Ca 0.14 0.70 -0.11 0.00 -1.95 0.00 0.00 55.36 54.14 1npm s GLN 84 Cb -0.10 -2.06 -0.05 0.00 -0.22 0.00 0.00 33.01 30.58 1npm s GLN 84 CO 0.05 -0.74 0.19 0.08 -0.25 0.00 0.00 175.29 174.62 1npm s VAL 85 N -3.21 5.35 -0.20 1.09 1.01 -1.26 -0.79 120.40 122.39 1npm s VAL 85 Ca 0.56 0.27 -0.22 0.00 0.00 0.00 0.00 61.98 62.59 1npm s VAL 85 Cb -0.11 -3.53 -0.19 0.00 0.00 0.00 0.00 36.38 32.54 1npm s VAL 85 CO 0.54 0.36 0.26 0.00 0.00 0.00 0.00 175.10 176.25 1npm h ALA 86 N 7.26 0.24 -3.51 5.51 0.00 -0.83 -3.43 119.26 124.49 1npm h ALA 86 Ca -0.39 -1.14 -0.21 0.00 0.00 0.00 0.00 54.91 53.18 1npm h ALA 86 Cb 1.16 0.67 -0.27 0.00 0.00 0.00 0.00 17.79 19.36 1npm h ALA 86 CO 0.69 0.64 -0.65 -1.14 0.00 0.00 0.00 179.25 178.79 1npm s GLN 87 N -2.35 0.10 -0.27 0.00 0.74 -0.92 -4.99 119.66 111.98 1npm s GLN 87 Ca -0.28 -0.01 -0.04 0.00 0.05 0.00 0.00 55.36 55.09 1npm s GLN 87 Cb 0.05 0.04 0.02 0.00 1.10 0.00 0.00 33.01 34.22 1npm s GLN 87 CO 0.59 -0.02 0.01 -1.12 -0.55 0.00 0.00 175.29 174.20 1npm s SER 88 N -0.16 4.69 -0.39 6.67 0.01 -1.26 -0.55 113.70 122.72 1npm s SER 88 Ca -0.02 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.47 1npm s SER 88 Cb -0.02 -1.77 0.11 0.00 0.21 0.00 0.00 66.02 64.55 1npm s SER 88 CO 0.00 -0.15 0.15 -0.63 0.41 0.00 0.00 173.24 173.02 1npm s ILE 89 N 1.41 2.84 0.53 1.44 1.01 0.06 -5.01 121.20 123.48 1npm s ILE 89 Ca 0.02 -2.25 -0.17 0.00 0.00 0.00 0.00 60.65 58.25 1npm s ILE 89 Cb -0.17 -3.00 -0.07 0.00 0.01 0.00 0.00 42.46 39.23 1npm s ILE 89 CO -0.01 -0.66 1.00 -1.10 0.00 0.00 0.00 174.94 174.17 1npm s GLN 90 N 0.96 3.79 0.28 2.79 -0.21 -1.26 -1.10 119.66 124.92 1npm s GLN 90 Ca 0.10 1.05 -0.30 0.00 0.02 0.00 0.00 55.36 56.23 1npm s GLN 90 Cb -0.21 -2.11 -0.11 0.00 1.00 0.00 0.00 33.01 31.58 1npm s GLN 90 CO -0.06 -0.41 1.51 -1.58 -2.12 0.00 0.00 175.29 172.64 1npm s HIS 91 N -2.52 2.86 0.27 0.91 5.65 -0.73 -4.88 115.29 116.84 1npm s HIS 91 Ca 0.61 0.94 -0.00 0.00 0.25 0.00 0.00 55.06 56.85 1npm s HIS 91 Cb -0.12 -3.95 0.58 0.00 -1.18 0.00 0.00 32.58 27.92 1npm s HIS 91 CO 0.31 -3.10 1.73 -1.00 -0.65 0.00 0.00 174.74 172.03 1npm h PRO 92 N 4.71 0.46 0.00 2.88 0.13 -1.93 -2.06 132.00 136.20 1npm h PRO 92 Ca -0.47 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1npm h PRO 92 Cb 1.22 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1npm h PRO 92 CO 0.77 0.31 0.00 0.00 -0.23 0.00 0.00 178.00 178.85 1npm n TYR 94 N -1.05 -0.08 0.00 0.00 9.36 -0.78 -4.88 117.16 119.74 1npm n TYR 94 Ca 0.16 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.38 1npm n TYR 94 Cb 0.10 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.81 1npm n TYR 94 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1npm n ASN 95 N 0.00 0.00 -4.90 2.98 3.02 -1.26 -4.99 115.26 110.11 1npm n ASN 95 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 1npm n ASN 95 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 1npm n ASN 95 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1npm s SER 95 N -0.56 6.47 -0.45 6.41 0.01 -1.26 -4.65 113.70 119.67 1npm s SER 95 Ca 0.00 0.67 -0.00 0.00 1.31 0.00 0.00 55.95 57.93 1npm s SER 95 Cb 0.00 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1npm s SER 95 CO 0.00 -0.10 0.43 -3.20 0.41 0.00 0.00 173.24 170.78 1npm n ASN 95 N -0.55 -5.57 0.00 2.44 4.05 -1.26 -4.88 115.26 109.50 1npm n ASN 95 Ca -0.02 -0.04 0.01 0.00 0.45 0.00 0.00 54.58 54.97 1npm n ASN 95 Cb 0.53 -3.65 0.04 0.00 1.23 0.00 0.00 39.78 37.92 1npm n ASN 95 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1npm n PRO 95 N -1.47 0.80 0.11 1.20 -0.04 -1.26 -2.31 135.00 132.03 1npm n PRO 95 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1npm n PRO 95 Cb 0.50 -1.02 0.07 0.00 -0.04 0.00 0.00 33.50 33.01 1npm n PRO 95 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1npm h GLU 97 N 0.00 0.00 -5.61 0.54 5.08 -1.99 -3.41 114.58 109.18 1npm h GLU 97 Ca 0.00 -0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 1npm h GLU 97 Cb 0.00 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.13 1npm h GLU 97 CO 0.00 0.74 0.24 0.34 -1.00 0.00 0.00 179.01 179.34 1npm s ASP 98 N -6.80 6.49 -0.04 1.42 2.15 -0.98 -4.92 116.67 114.00 1npm s ASP 98 Ca -0.01 0.28 0.21 0.00 0.43 0.00 0.00 52.55 53.46 1npm s ASP 98 Cb 0.12 -2.36 0.66 0.00 -0.30 0.00 0.00 42.92 41.04 1npm s ASP 98 CO 0.78 -0.63 1.56 1.41 -0.17 0.00 0.00 175.17 178.12 1npm n HIS 99 N 6.17 1.14 -1.98 -5.34 8.25 -1.26 -4.99 115.22 117.21 1npm n HIS 99 Ca 0.01 -0.52 -0.41 0.00 -0.26 0.00 0.00 57.72 56.54 1npm n HIS 99 Cb 0.48 -0.09 -0.01 0.00 1.12 0.00 0.00 29.99 31.49 1npm n HIS 99 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1npm s SER 100 N -0.96 6.59 -1.46 0.41 0.01 -1.26 -3.26 113.70 113.78 1npm s SER 100 Ca 0.49 2.82 -0.09 0.00 1.31 0.00 0.00 55.95 60.48 1npm s SER 100 Cb 0.28 -2.65 0.04 0.00 0.21 0.00 0.00 66.02 63.89 1npm s SER 100 CO 0.30 -0.69 0.79 1.41 0.41 0.00 0.00 173.24 175.45 1npm n HIS 101 N 0.96 -2.19 -1.72 2.43 8.25 -1.26 -4.57 115.22 117.11 1npm n HIS 101 Ca 0.02 0.70 -0.42 0.00 -0.26 0.00 0.00 57.72 57.76 1npm n HIS 101 Cb 0.40 -4.16 -0.02 0.00 1.12 0.00 0.00 29.99 27.34 1npm n HIS 101 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1npm n ASP 102 N -2.64 3.62 -3.84 0.41 2.03 -1.20 -4.51 116.55 110.41 1npm n ASP 102 Ca -0.03 -2.80 -0.12 0.00 0.52 0.00 0.00 54.79 52.36 1npm n ASP 102 Cb 0.57 -1.53 -0.10 0.00 -0.72 0.00 0.00 41.12 39.34 1npm n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1npm s ILE 103 N 4.29 0.07 -0.24 5.18 2.07 -1.26 -3.61 121.20 127.70 1npm s ILE 103 Ca 0.52 -0.54 -0.19 0.00 -1.41 0.00 0.00 60.65 59.03 1npm s ILE 103 Cb 0.12 -0.44 0.07 0.00 0.13 0.00 0.00 42.46 42.34 1npm s ILE 103 CO 0.00 -0.30 0.63 -0.32 -1.91 0.00 0.00 174.94 173.04 1npm s MET 104 N -1.12 0.70 -0.16 3.50 -2.45 0.03 -1.77 119.30 118.02 1npm s MET 104 Ca -0.12 0.97 -0.08 0.00 -1.25 0.00 0.00 55.69 55.21 1npm s MET 104 Cb -0.06 0.26 -0.04 0.00 1.25 0.00 0.00 34.83 36.23 1npm s MET 104 CO 0.02 -0.11 0.12 -0.51 1.05 0.00 0.00 175.02 175.58 1npm s LEU 105 N 0.81 4.18 -0.20 4.11 1.43 -0.26 -1.50 118.68 127.25 1npm s LEU 105 Ca -0.04 0.29 -0.04 0.00 -1.03 0.00 0.00 54.13 53.31 1npm s LEU 105 Cb -0.05 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 1npm s LEU 105 CO -0.06 0.27 -0.04 -0.63 0.23 0.00 0.00 176.35 176.12 1npm s ILE 106 N -0.19 3.57 -0.26 -0.59 1.01 0.64 -0.76 121.20 124.62 1npm s ILE 106 Ca 0.10 -0.44 -0.19 0.00 0.00 0.00 0.00 60.65 60.12 1npm s ILE 106 Cb -0.12 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 1npm s ILE 106 CO 0.01 0.44 0.56 -0.60 0.00 0.00 0.00 174.94 175.35 1npm s ARG 107 N 1.13 4.07 0.28 2.79 3.52 0.29 -1.82 118.95 129.20 1npm s ARG 107 Ca 0.02 0.40 -0.29 0.00 -0.13 0.00 0.00 55.73 55.73 1npm s ARG 107 Cb -0.15 -3.66 -0.09 0.00 -1.56 0.00 0.00 34.95 29.50 1npm s ARG 107 CO -0.00 -0.39 1.03 -0.51 -0.81 0.00 0.00 175.30 174.63 1npm s LEU 108 N 2.39 4.55 0.29 -0.88 1.43 0.37 -0.21 118.68 126.63 1npm s LEU 108 Ca 0.23 2.12 -0.02 0.00 -1.03 0.00 0.00 54.13 55.44 1npm s LEU 108 Cb -0.16 -3.68 0.43 0.00 0.03 0.00 0.00 46.19 42.82 1npm s LEU 108 CO 0.09 -0.06 1.93 -0.61 0.23 0.00 0.00 176.35 177.94 1npm h GLN 109 N 3.82 1.03 -5.29 1.70 5.75 -1.24 -3.42 115.11 117.46 1npm h GLN 109 Ca -0.46 -0.09 -0.38 0.00 -0.15 0.00 0.00 58.65 57.56 1npm h GLN 109 Cb 1.21 -0.22 -0.15 0.00 1.07 0.00 0.00 27.48 29.39 1npm h GLN 109 CO 0.67 0.73 -0.72 -0.80 -2.65 0.00 0.00 178.83 176.05 1npm s ASN 110 N -6.36 2.13 0.44 -0.69 0.01 -1.26 -4.97 114.94 104.24 1npm s ASN 110 Ca -0.11 -1.00 -0.22 0.00 -0.71 0.00 0.00 52.86 50.81 1npm s ASN 110 Cb 0.17 -0.07 -0.09 0.00 0.41 0.00 0.00 41.25 41.68 1npm s ASN 110 CO 0.80 -0.25 1.04 -0.44 -1.51 0.00 0.00 177.10 176.74 1npm s SER 111 N -3.18 6.55 0.14 -1.22 0.01 -1.26 -4.83 113.70 109.91 1npm s SER 111 Ca 0.19 1.98 -0.16 0.00 1.31 0.00 0.00 55.95 59.27 1npm s SER 111 Cb 0.01 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.59 1npm s SER 111 CO 0.03 -0.63 0.58 0.00 0.41 0.00 0.00 173.24 173.63 1npm s ALA 112 N -1.82 3.56 -0.31 1.44 0.00 -0.25 -5.03 121.76 119.35 1npm s ALA 112 Ca 0.62 -0.05 -0.29 0.00 0.00 0.00 0.00 51.96 52.24 1npm s ALA 112 Cb -0.19 -2.59 0.01 0.00 0.00 0.00 0.00 23.12 20.35 1npm s ALA 112 CO 0.24 0.42 1.19 -0.80 0.00 0.00 0.00 175.76 176.81 1npm s ASN 113 N -1.57 6.80 0.19 0.00 0.01 -1.26 -4.91 114.94 114.19 1npm s ASN 113 Ca 0.36 1.12 -0.12 0.00 -0.71 0.00 0.00 52.86 53.51 1npm s ASN 113 Cb -0.16 -2.54 -0.07 0.00 0.41 0.00 0.00 41.25 38.88 1npm s ASN 113 CO 0.19 -0.99 0.56 -0.76 -1.51 0.00 0.00 177.10 174.60 1npm s LEU 114 N 4.02 4.25 0.00 0.60 1.43 -1.26 -4.78 118.68 122.94 1npm s LEU 114 Ca 0.51 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.63 1npm s LEU 114 Cb -0.14 -3.48 0.00 0.00 0.03 0.00 0.00 46.19 42.60 1npm s LEU 114 CO 0.20 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.40 1npm n GLY 115 N 0.36 2.35 0.19 -3.19 0.00 0.18 -4.95 105.19 100.12 1npm n GLY 115 Ca -0.02 -0.74 0.08 0.00 0.00 0.00 0.00 46.02 45.33 1npm n GLY 115 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1npm h ASP 116 N 0.00 0.00 0.17 1.61 3.32 -2.00 -3.24 116.42 116.28 1npm h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1npm h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1npm h ASP 116 CO 0.00 0.27 -0.68 0.29 -1.72 0.00 0.00 179.24 177.40 1npm n LYS 117 N -3.21 0.30 -3.39 3.56 5.02 -1.26 -4.76 118.16 114.42 1npm n LYS 117 Ca 0.02 -0.22 -0.17 0.00 -2.02 0.00 0.00 58.31 55.93 1npm n LYS 117 Cb 0.60 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 34.02 1npm n LYS 117 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1npm s VAL 118 N -2.86 -0.40 0.02 -0.18 1.01 -1.22 -4.52 120.40 112.25 1npm s VAL 118 Ca 0.13 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 1npm s VAL 118 Cb 0.17 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.62 1npm s VAL 118 CO 0.73 -0.48 0.17 -1.59 0.00 0.00 0.00 175.10 173.93 1npm s LYS 119 N 2.21 0.59 0.67 2.72 -2.85 -1.04 -0.65 119.74 121.38 1npm s LYS 119 Ca 0.11 -0.49 -0.16 0.00 -1.00 0.00 0.00 55.97 54.43 1npm s LYS 119 Cb -0.14 0.24 0.01 0.00 -2.06 0.00 0.00 37.83 35.88 1npm s LYS 119 CO -0.28 -0.15 1.15 -1.25 0.10 0.00 0.00 175.35 174.92 1npm s PRO 120 N -1.91 2.64 0.46 1.78 0.04 -1.26 -3.02 135.00 133.73 1npm s PRO 120 Ca -0.10 1.55 -0.04 0.00 0.04 0.00 0.00 61.00 62.45 1npm s PRO 120 Cb -0.04 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1npm s PRO 120 CO -0.01 -1.41 0.75 0.08 0.04 0.00 0.00 177.00 176.46 1npm s VAL 121 N -2.14 4.91 -0.18 -0.36 1.01 -0.40 -4.89 120.40 118.35 1npm s VAL 121 Ca 0.70 0.08 -0.19 0.00 0.00 0.00 0.00 61.98 62.57 1npm s VAL 121 Cb -0.24 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1npm s VAL 121 CO 0.41 -0.79 0.53 -1.58 0.00 0.00 0.00 175.10 173.67 1npm s GLN 122 N -4.68 4.23 0.31 2.72 0.74 -1.26 -4.81 119.66 116.91 1npm s GLN 122 Ca 0.46 0.47 -0.28 0.00 0.05 0.00 0.00 55.36 56.06 1npm s GLN 122 Cb -0.10 -3.53 -0.09 0.00 1.10 0.00 0.00 33.01 30.38 1npm s GLN 122 CO 0.43 -0.09 1.05 -0.51 -0.55 0.00 0.00 175.29 175.62 1npm s LEU 123 N 1.44 4.44 -0.16 3.68 1.43 -1.26 -1.08 118.68 127.17 1npm s LEU 123 Ca 0.26 2.12 -0.28 0.00 -1.03 0.00 0.00 54.13 55.19 1npm s LEU 123 Cb -0.15 -3.80 -0.01 0.00 0.03 0.00 0.00 46.19 42.26 1npm s LEU 123 CO 0.10 -0.18 0.97 0.00 0.23 0.00 0.00 176.35 177.48 1npm s ALA 124 N -1.33 3.51 -0.05 4.21 0.00 -0.86 -4.81 121.76 122.43 1npm s ALA 124 Ca 0.48 0.23 -0.12 0.00 0.00 0.00 0.00 51.96 52.54 1npm s ALA 124 Cb -0.27 -3.42 -0.31 0.00 0.00 0.00 0.00 23.12 19.12 1npm s ALA 124 CO 0.35 -0.75 0.68 -0.91 0.00 0.00 0.00 175.76 175.13 1npm h ASN 125 N 7.26 0.61 -3.47 0.00 2.35 -1.94 -3.34 115.58 117.06 1npm h ASN 125 Ca -0.27 -0.93 -0.54 0.00 -0.55 0.00 0.00 56.30 54.01 1npm h ASN 125 Cb 1.12 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 39.25 1npm h ASN 125 CO 0.89 1.76 0.15 -0.76 -1.65 0.00 0.00 177.43 177.82 1npm s LEU 127 N -7.37 4.55 0.79 1.61 1.43 -1.26 -4.81 118.68 113.61 1npm s LEU 127 Ca -0.16 1.55 -0.11 0.00 -1.03 0.00 0.00 54.13 54.39 1npm s LEU 127 Cb 0.05 -3.24 0.06 0.00 0.03 0.00 0.00 46.19 43.10 1npm s LEU 127 CO 0.85 0.16 1.09 0.00 0.23 0.00 0.00 176.35 178.68 1npm s PRO 129 N -4.96 4.48 -0.10 0.00 0.04 -1.26 -5.05 135.00 128.15 1npm s PRO 129 Ca 0.61 1.81 -0.03 0.00 0.04 0.00 0.00 61.00 63.43 1npm s PRO 129 Cb -0.16 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.31 1npm s PRO 129 CO 0.56 0.06 0.00 0.21 0.04 0.00 0.00 177.00 177.88 1npm s LYS 130 N -1.72 3.14 0.04 4.56 2.20 -1.26 -5.05 119.74 121.65 1npm s LYS 130 Ca 0.48 -0.41 -0.38 0.00 -0.36 0.00 0.00 55.97 55.30 1npm s LYS 130 Cb -0.31 -2.84 -0.19 0.00 -1.51 0.00 0.00 37.83 32.97 1npm s LYS 130 CO 0.40 0.62 1.03 0.28 -0.36 0.00 0.00 175.35 177.32 1npm n VAL 132 N 2.40 0.26 0.00 4.02 0.31 -1.26 -1.22 118.33 122.83 1npm n VAL 132 Ca -0.18 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1npm n VAL 132 Cb 0.53 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 1npm n VAL 132 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1npm n GLY 133 N 1.66 3.18 3.57 2.92 0.00 0.31 -4.95 105.19 111.87 1npm n GLY 133 Ca 0.19 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.71 1npm n GLY 133 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1npm n GLN 134 N -1.55 1.01 -3.19 1.61 6.02 -0.36 -4.44 117.38 116.49 1npm n GLN 134 Ca 0.00 0.36 -0.39 0.00 -0.01 0.00 0.00 57.00 56.96 1npm n GLN 134 Cb 0.00 -1.87 -0.05 0.00 1.02 0.00 0.00 30.24 29.34 1npm n GLN 134 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1npm s LYS 135 N -0.20 4.35 0.39 -1.09 1.02 -1.26 -1.41 119.74 121.54 1npm s LYS 135 Ca 0.77 0.62 0.04 0.00 0.02 0.00 0.00 55.97 57.42 1npm s LYS 135 Cb -0.91 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 32.90 1npm s LYS 135 CO 0.52 0.06 0.10 0.00 -0.92 0.00 0.00 175.35 175.10 1npm s ILE 137 N -3.23 1.22 -0.06 0.00 1.01 0.69 -0.87 121.20 119.96 1npm s ILE 137 Ca 0.27 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.45 1npm s ILE 137 Cb 0.04 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 1npm s ILE 137 CO 0.14 0.38 -0.08 0.27 0.00 0.00 0.00 174.94 175.66 1npm s ILE 138 N 0.99 3.64 0.04 2.92 -4.36 -0.52 -1.73 121.20 122.19 1npm s ILE 138 Ca -0.08 -0.54 -0.09 0.00 -0.26 0.00 0.00 60.65 59.68 1npm s ILE 138 Cb -0.15 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.07 1npm s ILE 138 CO -0.00 0.57 0.20 -0.94 0.24 0.00 0.00 174.94 175.00 1npm s SER 139 N -0.88 0.04 0.00 4.36 1.04 -1.25 -1.06 113.70 115.94 1npm s SER 139 Ca 0.13 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.18 1npm s SER 139 Cb -0.11 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1npm s SER 139 CO 0.02 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1npm n GLY 140 N 0.65 -0.27 1.73 7.32 0.00 -0.72 -4.49 105.19 109.41 1npm n GLY 140 Ca -0.19 -1.14 0.07 0.00 0.00 0.00 0.00 46.02 44.76 1npm n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1npm n TRP 141 N -0.62 1.89 -1.42 1.61 8.01 -1.26 -2.13 117.44 123.52 1npm n TRP 141 Ca 0.00 -0.74 -0.29 0.00 -1.31 0.00 0.00 57.50 55.15 1npm n TRP 141 Cb 0.00 -0.47 0.18 0.00 -2.01 0.00 0.00 31.31 29.01 1npm n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1npm s GLY 142 N -0.96 1.61 0.41 6.99 0.00 -1.26 -4.39 107.32 109.72 1npm s GLY 142 Ca 0.53 -0.73 -0.25 0.00 0.00 0.00 0.00 44.72 44.27 1npm s GLY 142 CO 0.16 -0.04 1.04 -0.37 0.00 0.00 0.00 173.10 173.88 1npm n THR 143 N -4.10 2.43 1.05 0.90 5.66 0.33 -3.02 114.28 117.53 1npm n THR 143 Ca 0.10 -0.50 0.11 0.00 -3.05 0.00 0.00 64.05 60.71 1npm n THR 143 Cb 0.59 -1.19 0.10 0.00 -1.55 0.00 0.00 70.33 68.28 1npm n THR 143 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1npm n VAL 144 N -0.43 0.00 -4.21 1.08 0.31 -0.35 -0.49 118.33 114.24 1npm n VAL 144 Ca 0.09 -0.10 -0.12 0.00 -0.01 0.00 0.00 64.34 64.20 1npm n VAL 144 Cb 0.39 0.78 -0.10 0.00 -0.91 0.00 0.00 33.84 34.00 1npm n VAL 144 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1npm s THR 145 N -2.74 0.44 -0.23 2.52 -4.23 -1.26 -4.56 115.64 105.58 1npm s THR 145 Ca 0.15 -1.95 -0.18 0.00 -1.18 0.00 0.00 61.69 58.53 1npm s THR 145 Cb 0.18 -2.12 0.06 0.00 1.34 0.00 0.00 72.50 71.96 1npm s THR 145 CO 0.67 -0.44 0.59 -0.55 -0.54 0.00 0.00 174.62 174.35 1npm s SER 146 N -3.13 -0.68 0.00 3.99 0.15 -1.26 -4.44 113.70 108.33 1npm s SER 146 Ca 0.25 1.23 0.28 0.00 0.70 0.00 0.00 55.95 58.41 1npm s SER 146 Cb 0.07 1.20 1.30 0.00 -1.71 0.00 0.00 66.02 66.88 1npm s SER 146 CO 0.04 -0.21 1.94 -0.81 1.20 0.00 0.00 173.24 175.40 1npm n PRO 147 N 3.28 0.15 -2.00 5.44 -0.04 -1.26 -4.76 135.00 135.81 1npm n PRO 147 Ca -0.16 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 62.89 1npm n PRO 147 Cb 0.56 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 1npm n PRO 147 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1npm s GLN 148 N -2.84 4.25 -0.27 0.54 -1.52 -1.26 -4.97 119.66 113.59 1npm s GLN 148 Ca 0.19 2.29 -0.24 0.00 -1.95 0.00 0.00 55.36 55.65 1npm s GLN 148 Cb 0.19 -3.15 -0.00 0.00 -0.22 0.00 0.00 33.01 29.82 1npm s GLN 148 CO 0.49 -0.51 0.81 -1.21 -0.25 0.00 0.00 175.29 174.61 1npm s GLU 149 N 0.59 4.08 -0.36 2.91 2.02 -1.26 -4.25 118.70 122.44 1npm s GLU 149 Ca 0.65 0.77 -0.00 0.00 0.02 0.00 0.00 54.97 56.42 1npm s GLU 149 Cb -0.42 -3.68 0.13 0.00 0.10 0.00 0.00 34.13 30.26 1npm s GLU 149 CO 0.35 -0.59 0.19 -0.80 0.02 0.00 0.00 175.26 174.43 1npm s ASN 150 N 1.48 3.39 -0.28 -0.19 0.01 -1.26 -5.01 114.94 113.07 1npm s ASN 150 Ca 0.34 -2.09 -0.25 0.00 -0.71 0.00 0.00 52.86 50.15 1npm s ASN 150 Cb -0.15 -0.63 0.00 0.00 0.41 0.00 0.00 41.25 40.89 1npm s ASN 150 CO 0.10 -0.33 0.84 -0.36 -1.51 0.00 0.00 177.10 175.84 1npm s PHE 151 N 1.12 3.25 0.68 2.20 0.40 -1.26 -1.22 117.98 123.14 1npm s PHE 151 Ca 0.15 1.01 -0.13 0.00 -0.60 0.00 0.00 56.93 57.36 1npm s PHE 151 Cb -0.22 -3.20 0.00 0.00 0.51 0.00 0.00 43.02 40.12 1npm s PHE 151 CO -0.09 -0.51 1.07 -1.25 0.70 0.00 0.00 175.22 175.14 1npm s PRO 152 N 2.99 2.88 0.05 0.24 0.04 -1.26 -4.99 135.00 134.95 1npm s PRO 152 Ca 0.35 1.14 0.18 0.00 0.04 0.00 0.00 61.00 62.72 1npm s PRO 152 Cb -0.14 -1.98 -0.15 0.00 0.04 0.00 0.00 34.50 32.27 1npm s PRO 152 CO 0.10 -1.15 0.75 -1.71 0.04 0.00 0.00 177.00 175.03 1npm n ASN 153 N -2.78 0.69 -4.65 6.66 2.85 -1.26 -4.92 115.26 111.85 1npm n ASN 153 Ca 0.09 0.29 -0.29 0.00 -0.11 0.00 0.00 54.58 54.56 1npm n ASN 153 Cb 0.53 0.49 -0.08 0.00 1.24 0.00 0.00 39.78 41.95 1npm n ASN 153 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1npm s THR 154 N -3.02 3.71 0.18 -0.44 -4.23 -1.26 -1.37 115.64 109.21 1npm s THR 154 Ca -0.04 -1.24 -0.32 0.00 -1.18 0.00 0.00 61.69 58.92 1npm s THR 154 Cb 0.09 -2.80 -0.12 0.00 1.34 0.00 0.00 72.50 71.02 1npm s THR 154 CO 0.82 0.03 1.77 -0.22 -0.54 0.00 0.00 174.62 176.48 1npm s LEU 155 N -2.52 4.38 0.17 4.79 2.96 -0.61 -4.83 118.68 123.01 1npm s LEU 155 Ca 0.25 2.85 0.04 0.00 -0.22 0.00 0.00 54.13 57.06 1npm s LEU 155 Cb -0.11 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1npm s LEU 155 CO 0.17 -0.99 0.19 0.20 -1.32 0.00 0.00 176.35 174.60 1npm s ASN 156 N 1.67 5.78 0.05 3.68 -0.87 -0.90 -1.57 114.94 122.77 1npm s ASN 156 Ca 0.77 -0.05 0.04 0.00 -1.57 0.00 0.00 52.86 52.05 1npm s ASN 156 Cb -0.49 -1.58 -0.02 0.00 -0.02 0.00 0.00 41.25 39.13 1npm s ASN 156 CO 0.33 0.05 -0.11 0.00 -2.57 0.00 0.00 177.10 174.81 1npm s ALA 158 N -1.13 -0.95 -0.18 0.00 0.00 -0.23 -1.13 121.76 118.14 1npm s ALA 158 Ca -0.04 0.59 -0.16 0.00 0.00 0.00 0.00 51.96 52.35 1npm s ALA 158 Cb -0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1npm s ALA 158 CO 0.01 -0.26 0.38 -2.00 0.00 0.00 0.00 175.76 173.89 1npm s GLU 159 N -1.07 4.22 0.17 0.00 2.12 -1.26 -1.43 118.70 121.44 1npm s GLU 159 Ca -0.11 0.21 0.05 0.00 0.36 0.00 0.00 54.97 55.48 1npm s GLU 159 Cb -0.04 -3.50 -0.05 0.00 0.26 0.00 0.00 34.13 30.81 1npm s GLU 159 CO 0.04 0.06 -0.10 0.08 -0.54 0.00 0.00 175.26 174.80 1npm s VAL 160 N 1.00 1.31 0.07 3.70 1.01 -0.05 -4.79 120.40 122.64 1npm s VAL 160 Ca 0.19 -2.10 0.09 0.00 0.00 0.00 0.00 61.98 60.17 1npm s VAL 160 Cb -0.14 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1npm s VAL 160 CO 0.07 -0.67 -0.25 -0.54 0.00 0.00 0.00 175.10 173.72 1npm s LYS 161 N -3.73 1.57 -0.14 2.72 1.02 0.15 -0.09 119.74 121.23 1npm s LYS 161 Ca 0.19 -1.12 -0.29 0.00 0.02 0.00 0.00 55.97 54.77 1npm s LYS 161 Cb 0.02 -1.80 -0.03 0.00 -0.52 0.00 0.00 37.83 35.50 1npm s LYS 161 CO 0.03 0.45 1.45 0.42 -0.92 0.00 0.00 175.35 176.79 1npm s ILE 162 N -0.88 3.94 0.71 2.17 -1.09 -0.50 -0.96 121.20 124.59 1npm s ILE 162 Ca 0.11 1.13 -0.10 0.00 -2.23 0.00 0.00 60.65 59.55 1npm s ILE 162 Cb -0.10 -3.77 0.03 0.00 -1.58 0.00 0.00 42.46 37.05 1npm s ILE 162 CO 0.03 -0.15 1.07 -0.31 -1.23 0.00 0.00 174.94 174.35 1npm s TYR 163 N 3.96 3.17 0.46 3.97 1.51 -0.65 -0.53 117.35 129.24 1npm s TYR 163 Ca 0.64 0.82 -0.16 0.00 -1.01 0.00 0.00 57.07 57.36 1npm s TYR 163 Cb -0.26 -3.12 -0.08 0.00 -0.11 0.00 0.00 41.96 38.38 1npm s TYR 163 CO 0.22 -1.28 0.91 -1.54 -1.11 0.00 0.00 175.55 172.75 1npm s SER 164 N -4.42 6.67 0.36 2.29 1.04 -1.26 -4.71 113.70 113.66 1npm s SER 164 Ca 0.58 1.47 0.07 0.00 0.48 0.00 0.00 55.95 58.55 1npm s SER 164 Cb -0.11 -2.46 0.69 0.00 0.10 0.00 0.00 66.02 64.24 1npm s SER 164 CO 0.49 -0.47 1.89 -0.61 0.98 0.00 0.00 173.24 175.52 1npm h GLN 165 N 1.28 0.38 -0.16 4.02 5.75 -1.97 -0.57 115.11 123.84 1npm h GLN 165 Ca -0.47 -0.09 -0.18 0.00 -0.15 0.00 0.00 58.65 57.76 1npm h GLN 165 Cb 1.18 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.68 1npm h GLN 165 CO 0.62 0.47 -0.63 -2.95 -2.65 0.00 0.00 178.83 173.70 1npm h ASN 166 N 0.37 0.64 0.68 -0.69 -1.07 -1.99 0.12 115.58 113.64 1npm h ASN 166 Ca 0.08 -0.37 -0.09 0.00 0.07 0.00 0.00 56.30 55.98 1npm h ASN 166 Cb 0.36 -0.18 -0.01 0.00 -2.07 0.00 0.00 38.32 36.41 1npm h ASN 166 CO 0.02 1.11 -0.44 0.50 0.07 0.00 0.00 177.43 178.68 1npm h LYS 167 N 0.41 0.00 -0.07 4.14 3.64 -1.86 -2.13 116.57 120.70 1npm h LYS 167 Ca -0.01 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.25 1npm h LYS 167 Cb 1.19 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1npm h LYS 167 CO 0.12 0.44 -0.44 0.00 -2.27 0.00 0.00 179.45 177.31 1npm h GLU 169 N -0.06 0.78 -0.05 0.00 5.08 -0.68 -2.55 114.58 117.10 1npm h GLU 169 Ca -0.04 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 57.98 1npm h GLU 169 Cb 1.10 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1npm h GLU 169 CO 0.09 0.88 -0.31 -0.09 -1.00 0.00 0.00 179.01 178.57 1npm h ARG 170 N 0.70 0.09 0.00 2.33 2.43 -1.47 -1.20 114.38 117.26 1npm h ARG 170 Ca 0.11 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 1npm h ARG 170 Cb 0.63 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1npm h ARG 170 CO 0.04 0.40 -0.42 0.00 -1.51 0.00 0.00 179.97 178.48 1npm h ALA 171 N 1.61 0.97 -1.77 2.80 0.00 -1.38 -3.36 119.26 118.12 1npm h ALA 171 Ca 0.01 -0.39 -0.50 0.00 0.00 0.00 0.00 54.91 54.04 1npm h ALA 171 Cb 0.60 -0.07 -0.36 0.00 0.00 0.00 0.00 17.79 17.95 1npm h ALA 171 CO 0.04 0.53 -1.06 0.66 0.00 0.00 0.00 179.25 179.42 1npm n TYR 172 N -3.55 -0.54 -1.50 0.00 4.01 -0.90 -4.97 117.16 109.71 1npm n TYR 172 Ca -0.00 -3.44 -0.63 0.00 -0.16 0.00 0.00 57.90 53.67 1npm n TYR 172 Cb 0.54 -0.15 -0.10 0.00 -0.31 0.00 0.00 39.34 39.32 1npm n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1npm n PRO 173 N 1.05 0.00 -1.04 -0.72 -0.02 -0.50 -1.20 135.00 132.57 1npm n PRO 173 Ca 0.21 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.67 1npm n PRO 173 Cb 0.58 -1.45 -0.01 0.00 -0.02 0.00 0.00 33.50 32.61 1npm n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1npm n GLY 174 N 5.23 0.44 0.00 -1.23 0.00 -1.26 -4.88 105.19 103.50 1npm n GLY 174 Ca 0.39 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 46.32 1npm n GLY 174 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1npm n LYS 175 N -1.90 2.94 -3.28 1.61 5.02 -0.34 -4.99 118.16 117.22 1npm n LYS 175 Ca -0.01 -0.03 -0.38 0.00 -2.02 0.00 0.00 58.31 55.87 1npm n LYS 175 Cb 0.17 -1.01 -0.06 0.00 -0.02 0.00 0.00 35.03 34.12 1npm n LYS 175 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1npm s ILE 176 N -2.07 5.15 0.49 -0.18 -1.09 -1.25 -4.91 121.20 117.33 1npm s ILE 176 Ca 0.01 0.98 0.05 0.00 -2.23 0.00 0.00 60.65 59.47 1npm s ILE 176 Cb 0.06 -3.84 -0.01 0.00 -1.58 0.00 0.00 42.46 37.10 1npm s ILE 176 CO 0.37 0.27 0.23 0.42 -1.23 0.00 0.00 174.94 175.00 1npm s THR 177 N 0.96 1.78 -1.43 2.92 -4.23 -1.26 -5.01 115.64 109.36 1npm s THR 177 Ca 0.26 -1.69 0.17 0.00 -1.18 0.00 0.00 61.69 59.25 1npm s THR 177 Cb -0.15 -2.47 0.30 0.00 1.34 0.00 0.00 72.50 71.52 1npm s THR 177 CO 0.10 0.00 1.50 -1.84 -0.54 0.00 0.00 174.62 173.84 1npm n GLU 178 N -1.45 0.24 -0.83 3.99 0.00 -1.26 -2.32 120.64 119.01 1npm n GLU 178 Ca -0.06 0.13 0.07 0.00 0.00 0.00 0.00 57.16 57.30 1npm n GLU 178 Cb 0.65 -1.50 0.39 0.00 0.00 0.00 0.00 31.44 30.98 1npm n GLU 178 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1npm n GLY 179 N 0.15 3.13 3.16 -1.84 0.00 -1.26 -4.92 105.19 103.60 1npm n GLY 179 Ca 0.08 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 45.01 1npm n GLY 179 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1npm s MET 180 N -2.74 0.79 -0.12 1.61 -1.94 -0.98 -1.39 119.30 114.53 1npm s MET 180 Ca 0.53 -1.06 -0.07 0.00 -1.71 0.00 0.00 55.69 53.38 1npm s MET 180 Cb 0.40 -0.54 0.04 0.00 2.01 0.00 0.00 34.83 36.75 1npm s MET 180 CO 0.15 0.09 0.28 0.54 -0.01 0.00 0.00 175.02 176.08 1npm s VAL 181 N -2.07 -0.03 0.32 -6.03 0.11 -0.19 -4.77 120.40 107.75 1npm s VAL 181 Ca 0.02 0.10 -0.11 0.00 -2.93 0.00 0.00 61.98 59.05 1npm s VAL 181 Cb -0.05 -0.42 -0.07 0.00 -1.53 0.00 0.00 36.38 34.30 1npm s VAL 181 CO 0.00 0.04 0.68 0.00 -3.33 0.00 0.00 175.10 172.49 1npm s ALA 183 N -2.08 -1.01 0.00 0.00 0.00 -0.94 -1.64 121.76 116.10 1npm s ALA 183 Ca 0.50 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.92 1npm s ALA 183 Cb -0.10 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.20 1npm s ALA 183 CO 0.24 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1npm n GLY 184 N 0.89 0.57 3.23 0.00 0.00 -0.14 -2.74 105.19 107.00 1npm n GLY 184 Ca -0.20 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 1npm n GLY 184 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1npm s SER 185 N 0.36 -0.21 0.47 1.61 0.15 -1.24 0.32 113.70 115.15 1npm s SER 185 Ca 0.00 0.17 0.18 0.00 0.70 0.00 0.00 55.95 57.00 1npm s SER 185 Cb 0.00 0.37 1.14 0.00 -1.71 0.00 0.00 66.02 65.82 1npm s SER 185 CO 0.00 -0.39 2.03 0.77 1.20 0.00 0.00 173.24 176.85 1npm h SER 186 N 4.16 0.00 -0.36 5.45 4.64 -1.93 -2.02 113.55 123.49 1npm h SER 186 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1npm h SER 186 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1npm h SER 186 CO 0.38 0.15 0.00 -0.46 -0.87 0.00 0.00 176.83 176.03 1npm n ASN 186 N -4.19 2.52 0.00 4.97 0.23 -1.26 -4.84 115.26 112.69 1npm n ASN 186 Ca -0.02 -2.16 0.00 0.00 -0.53 0.00 0.00 54.58 51.87 1npm n ASN 186 Cb 0.23 -0.37 0.00 0.00 -2.08 0.00 0.00 39.78 37.56 1npm n ASN 186 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1npm n GLY 187 N 0.86 0.68 3.74 4.83 0.00 -0.76 -4.93 105.19 109.62 1npm n GLY 187 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1npm n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1npm s ALA 188 N -2.20 3.74 0.14 4.61 0.00 -1.26 -4.30 121.76 122.49 1npm s ALA 188 Ca 0.00 1.46 -0.24 0.00 0.00 0.00 0.00 51.96 53.17 1npm s ALA 188 Cb 0.00 -3.62 0.07 0.00 0.00 0.00 0.00 23.12 19.57 1npm s ALA 188 CO 0.00 -0.86 0.74 0.34 0.00 0.00 0.00 175.76 175.98 1npm s ASP 189 N 0.68 -0.41 0.49 0.00 2.15 -1.14 -3.68 116.67 114.75 1npm s ASP 189 Ca 0.65 -0.16 -0.03 0.00 0.43 0.00 0.00 52.55 53.44 1npm s ASP 189 Cb -0.45 0.55 -0.01 0.00 -0.30 0.00 0.00 42.92 42.71 1npm s ASP 189 CO 0.41 -0.94 0.76 0.42 -0.17 0.00 0.00 175.17 175.64 1npm s THR 190 N -3.56 4.14 0.00 1.71 -4.23 -1.26 -1.11 115.64 111.33 1npm s THR 190 Ca 0.05 -0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 1npm s THR 190 Cb -0.02 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.25 1npm s THR 190 CO -0.06 -0.49 0.00 0.00 -0.54 0.00 0.00 174.62 173.53 1npm n GLN 192 N 0.00 0.67 0.00 0.00 -0.06 -1.26 -1.03 117.38 115.70 1npm n GLN 192 Ca 0.00 0.25 0.00 0.00 -2.00 0.00 0.00 57.00 55.25 1npm n GLN 192 Cb 0.00 -1.86 0.00 0.00 -4.06 0.00 0.00 30.24 24.32 1npm n GLN 192 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1npm n GLY 193 N 4.25 2.49 0.14 1.69 0.00 -1.26 -0.51 105.19 111.98 1npm n GLY 193 Ca 0.29 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.43 1npm n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1npm h ASP 194 N 0.00 0.00 -1.84 1.61 3.32 -1.42 -3.30 116.42 114.79 1npm h ASP 194 Ca 0.00 -0.03 -0.65 0.00 0.02 0.00 0.00 57.03 56.37 1npm h ASP 194 Cb 0.00 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.65 1npm h ASP 194 CO 0.00 0.02 0.02 -1.20 -1.72 0.00 0.00 179.24 176.35 1npm n SER 195 N -2.70 0.62 0.00 6.45 7.64 -1.26 -1.41 113.62 122.97 1npm n SER 195 Ca 0.02 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1npm n SER 195 Cb 0.52 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 1npm n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1npm n GLY 196 N 1.71 2.16 3.25 0.23 0.00 0.58 0.13 105.19 113.25 1npm n GLY 196 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 1npm n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1npm n GLY 197 N -2.00 -2.49 3.87 -0.02 0.00 -0.50 -3.60 105.19 100.46 1npm n GLY 197 Ca 0.00 -1.53 -0.31 0.00 0.00 0.00 0.00 46.02 44.18 1npm n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1npm s PRO 198 N -5.34 3.81 -0.29 1.61 0.04 -1.26 -1.48 135.00 132.08 1npm s PRO 198 Ca 0.65 0.38 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1npm s PRO 198 Cb -0.05 -2.52 0.09 0.00 0.04 0.00 0.00 34.50 32.06 1npm s PRO 198 CO 0.49 0.15 0.06 -1.17 0.04 0.00 0.00 177.00 176.57 1npm s LEU 199 N -3.32 2.66 -0.16 -3.56 0.20 -0.82 -3.91 118.68 109.77 1npm s LEU 199 Ca 0.49 -1.59 -0.01 0.00 0.69 0.00 0.00 54.13 53.71 1npm s LEU 199 Cb -0.11 -1.03 -0.01 0.00 -0.43 0.00 0.00 46.19 44.61 1npm s LEU 199 CO 0.25 -0.37 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.15 1npm s VAL 200 N 1.47 3.11 -0.13 1.68 1.01 -0.70 -1.22 120.40 125.62 1npm s VAL 200 Ca 0.07 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1npm s VAL 200 Cb -0.18 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.88 1npm s VAL 200 CO -0.17 0.49 -0.12 0.00 0.00 0.00 0.00 175.10 175.30 1npm n ASP 202 N 4.67 -2.14 0.00 0.00 8.00 -1.26 -2.03 116.55 123.79 1npm n ASP 202 Ca -0.16 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.51 1npm n ASP 202 Cb 0.50 -4.12 0.00 0.00 -0.02 0.00 0.00 41.12 37.48 1npm n ASP 202 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1npm n GLY 203 N -1.54 0.24 3.20 0.44 0.00 -1.26 -4.99 105.19 101.27 1npm n GLY 203 Ca -0.26 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 1npm n GLY 203 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1npm s MET 208 N -1.09 1.03 -0.48 1.61 -1.94 -0.86 -4.47 119.30 113.09 1npm s MET 208 Ca 0.00 -0.91 -0.28 0.00 -1.71 0.00 0.00 55.69 52.79 1npm s MET 208 Cb 0.00 -1.10 0.01 0.00 2.01 0.00 0.00 34.83 35.75 1npm s MET 208 CO 0.00 0.27 1.40 -1.17 -0.01 0.00 0.00 175.02 175.51 1npm s LEU 209 N -1.42 3.51 -0.07 -0.03 2.96 -0.24 -1.06 118.68 122.32 1npm s LEU 209 Ca 0.03 0.56 0.20 0.00 -0.22 0.00 0.00 54.13 54.70 1npm s LEU 209 Cb -0.09 -3.32 -0.29 0.00 0.50 0.00 0.00 46.19 42.99 1npm s LEU 209 CO 0.02 -1.55 0.39 0.00 -1.32 0.00 0.00 176.35 173.89 1npm n GLN 210 N 8.33 0.67 -3.90 1.98 1.13 -0.36 -2.04 117.38 123.18 1npm n GLN 210 Ca 0.14 -0.10 -0.08 0.00 -1.94 0.00 0.00 57.00 55.02 1npm n GLN 210 Cb 0.49 -1.55 -0.03 0.00 0.11 0.00 0.00 30.24 29.26 1npm n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1npm s GLY 211 N -4.84 0.12 -0.17 1.08 0.00 -0.92 -1.65 107.32 100.94 1npm s GLY 211 Ca -0.08 -0.50 0.01 0.00 0.00 0.00 0.00 44.72 44.15 1npm s GLY 211 CO 0.87 -0.28 -0.12 -0.42 0.00 0.00 0.00 173.10 173.15 1npm s ILE 212 N -3.95 1.62 -0.01 0.90 -1.09 -0.93 -1.95 121.20 115.78 1npm s ILE 212 Ca 0.15 -0.83 -0.32 0.00 -2.23 0.00 0.00 60.65 57.42 1npm s ILE 212 Cb -0.04 -1.61 -0.11 0.00 -1.58 0.00 0.00 42.46 39.13 1npm s ILE 212 CO 0.07 0.31 1.91 1.07 -1.23 0.00 0.00 174.94 177.08 1npm n THR 213 N 4.72 0.64 0.00 2.92 5.66 -0.55 -1.11 114.28 126.56 1npm n THR 213 Ca -0.16 -0.11 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 1npm n THR 213 Cb 0.48 -2.07 0.00 0.00 -1.55 0.00 0.00 70.33 67.19 1npm n THR 213 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1npm n SER 214 N 6.88 0.00 -3.02 1.09 2.88 -0.86 -0.31 113.62 120.29 1npm n SER 214 Ca 0.21 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.58 1npm n SER 214 Cb 0.35 -0.31 -0.06 0.00 -0.75 0.00 0.00 64.21 63.44 1npm n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1npm n TRP 215 N -2.36 -0.95 -2.13 0.66 4.27 -1.06 -4.84 117.44 111.03 1npm n TRP 215 Ca 0.00 -2.49 0.00 0.00 -3.89 0.00 0.00 57.50 51.12 1npm n TRP 215 Cb 0.00 0.35 0.00 0.00 -1.36 0.00 0.00 31.31 30.30 1npm n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1npm n GLY 216 N -0.58 2.12 3.96 -1.67 0.00 -1.26 -0.62 105.19 107.15 1npm n GLY 216 Ca 0.05 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 45.26 1npm n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1npm s SER 217 N 2.00 5.04 -0.12 1.61 0.15 -1.26 -4.99 113.70 116.13 1npm s SER 217 Ca 0.00 -0.87 -0.02 0.00 0.70 0.00 0.00 55.95 55.75 1npm s SER 217 Cb 0.00 0.00 0.04 0.00 -1.71 0.00 0.00 66.02 64.35 1npm s SER 217 CO 0.00 -1.04 0.03 -0.62 1.20 0.00 0.00 173.24 172.81 1npm s ASP 218 N -4.40 2.04 0.75 5.45 2.15 -1.26 -3.52 116.67 117.88 1npm s ASP 218 Ca 0.50 -0.36 -0.12 0.00 0.43 0.00 0.00 52.55 53.01 1npm s ASP 218 Cb -0.05 -0.43 0.04 0.00 -0.30 0.00 0.00 42.92 42.18 1npm s ASP 218 CO 0.31 -0.25 1.12 -2.16 -0.17 0.00 0.00 175.17 174.01 1npm s PRO 219 N 1.98 2.48 0.71 4.34 0.04 -1.26 -5.12 135.00 138.18 1npm s PRO 219 Ca 0.03 0.38 -0.11 0.00 0.04 0.00 0.00 61.00 61.34 1npm s PRO 219 Cb -0.14 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.43 1npm s PRO 219 CO -0.06 -1.28 1.08 0.00 0.04 0.00 0.00 177.00 176.77 1npm n GLY 220 N -2.68 0.63 3.29 0.00 0.00 -1.26 -4.76 105.19 100.41 1npm n GLY 220 Ca 0.07 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 1npm n GLY 220 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1npm s LYS 221 N -1.64 2.72 0.42 1.61 -0.14 -1.26 -4.54 119.74 116.91 1npm s LYS 221 Ca 0.00 -1.11 0.25 0.00 -1.36 0.00 0.00 55.97 53.75 1npm s LYS 221 Cb 0.00 -3.44 1.29 0.00 -1.68 0.00 0.00 37.83 34.00 1npm s LYS 221 CO 0.00 -0.62 1.69 -1.35 -0.76 0.00 0.00 175.35 174.31 1npm h PRO 222 N 8.22 0.21 0.00 -1.68 0.11 -1.89 0.22 132.00 137.20 1npm h PRO 222 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1npm h PRO 222 Cb 1.09 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1npm h PRO 222 CO 0.60 0.14 0.00 1.05 -0.21 0.00 0.00 178.00 179.58 1npm h GLU 223 N 0.21 0.00 -2.17 1.05 9.09 -1.94 -3.34 114.58 117.48 1npm h GLU 223 Ca 0.71 0.00 -0.59 0.00 0.05 0.00 0.00 59.36 59.54 1npm h GLU 223 Cb 2.10 0.00 -0.42 0.00 -1.65 0.00 0.00 28.75 28.79 1npm h GLU 223 CO -0.35 0.00 -0.69 1.63 0.05 0.00 0.00 179.01 179.64 1npm n LYS 224 N -2.78 2.34 -0.80 1.06 4.76 0.78 -4.71 118.16 118.81 1npm n LYS 224 Ca 0.04 -4.46 -0.30 0.00 -2.87 0.00 0.00 58.31 50.72 1npm n LYS 224 Cb 0.47 -2.09 0.18 0.00 -1.84 0.00 0.00 35.03 31.75 1npm n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1npm s PRO 225 N -2.46 0.63 0.32 1.97 0.04 -1.21 -4.44 135.00 129.85 1npm s PRO 225 Ca 0.41 1.18 -0.27 0.00 0.04 0.00 0.00 61.00 62.36 1npm s PRO 225 Cb 0.18 -1.71 -0.09 0.00 0.04 0.00 0.00 34.50 32.92 1npm s PRO 225 CO -0.05 -2.78 0.99 0.20 0.04 0.00 0.00 177.00 175.40 1npm s GLY 226 N -2.84 2.87 -0.12 0.56 0.00 -1.11 -4.54 107.32 102.15 1npm s GLY 226 Ca 0.66 0.63 -0.05 0.00 0.00 0.00 0.00 44.72 45.95 1npm s GLY 226 CO 0.59 1.11 0.09 0.14 0.00 0.00 0.00 173.10 175.03 1npm s VAL 227 N -1.50 5.06 0.06 1.40 1.01 0.21 -2.21 120.40 124.44 1npm s VAL 227 Ca 0.50 0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.60 1npm s VAL 227 Cb -0.22 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1npm s VAL 227 CO 0.28 0.60 -0.21 -0.31 0.00 0.00 0.00 175.10 175.46 1npm s TYR 228 N -0.83 1.84 -0.29 5.22 1.51 0.16 -2.02 117.35 122.93 1npm s TYR 228 Ca 0.13 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.51 1npm s TYR 228 Cb -0.12 -1.07 0.00 0.00 -0.11 0.00 0.00 41.96 40.67 1npm s TYR 228 CO 0.03 0.14 1.29 0.99 -1.11 0.00 0.00 175.55 176.89 1npm s THR 229 N -0.92 4.15 -0.27 -0.71 2.01 -0.26 -1.02 115.64 118.62 1npm s THR 229 Ca 0.07 1.31 -0.29 0.00 0.31 0.00 0.00 61.69 63.10 1npm s THR 229 Cb -0.09 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 1npm s THR 229 CO 0.03 -0.46 1.83 -0.75 -0.69 0.00 0.00 174.62 174.57 1npm s LYS 230 N 4.13 3.45 0.22 4.92 2.20 -0.48 -2.19 119.74 131.99 1npm s LYS 230 Ca 0.56 1.63 -0.08 0.00 -0.36 0.00 0.00 55.97 57.71 1npm s LYS 230 Cb -0.17 -4.19 0.19 0.00 -1.51 0.00 0.00 37.83 32.16 1npm s LYS 230 CO 0.23 -1.72 1.87 0.82 -0.36 0.00 0.00 175.35 176.19 1npm h ILE 231 N 6.66 1.23 -0.59 5.43 1.08 -1.62 -3.01 117.51 126.69 1npm h ILE 231 Ca -0.36 -0.49 0.17 0.00 -0.39 0.00 0.00 64.86 63.80 1npm h ILE 231 Cb 1.18 0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.93 1npm h ILE 231 CO 1.01 0.24 0.44 0.00 -0.69 0.00 0.00 178.15 179.15 1npm h ARG 233 N 0.00 0.00 -0.21 0.00 1.12 -1.87 -3.33 114.38 110.08 1npm h ARG 233 Ca 0.28 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.15 1npm h ARG 233 Cb 1.16 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.12 1npm h ARG 233 CO -0.00 0.57 0.00 0.66 -3.11 0.00 0.00 179.97 178.08 1npm n TYR 234 N -3.43 0.28 0.23 2.20 4.01 0.15 -4.63 117.16 115.97 1npm n TYR 234 Ca 0.00 -0.26 0.10 0.00 -0.16 0.00 0.00 57.90 57.58 1npm n TYR 234 Cb 0.68 -0.01 0.65 0.00 -0.31 0.00 0.00 39.34 40.35 1npm n TYR 234 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1npm h THR 235 N 2.42 0.95 -0.04 -0.72 1.35 -1.48 -0.78 112.91 114.62 1npm h THR 235 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 1npm h THR 235 Cb 0.65 0.97 -0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1npm h THR 235 CO 0.00 0.00 -0.01 0.74 -0.25 0.00 0.00 175.52 176.00 1npm h THR 236 N 0.00 1.28 -0.36 6.82 2.02 -1.87 -2.02 112.91 118.79 1npm h THR 236 Ca 0.03 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.35 1npm h THR 236 Cb 0.11 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1npm h THR 236 CO -0.00 0.23 0.20 -0.25 0.37 0.00 0.00 175.52 176.07 1npm h TRP 237 N -0.27 0.48 -0.13 3.16 7.01 -1.75 -2.04 115.95 122.41 1npm h TRP 237 Ca 0.01 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.05 1npm h TRP 237 Cb 0.37 -0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 27.22 1npm h TRP 237 CO 0.05 0.37 -0.21 0.82 -2.79 0.00 0.00 178.44 176.68 1npm h ILE 238 N 0.46 0.47 -0.35 2.65 2.04 -1.11 -2.17 117.51 119.49 1npm h ILE 238 Ca 0.13 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.92 1npm h ILE 238 Cb 0.04 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1npm h ILE 238 CO -0.02 0.00 -0.05 0.11 0.00 0.00 0.00 178.15 178.18 1npm h LYS 239 N -0.27 0.66 -0.93 2.37 1.57 -1.31 -2.81 116.57 115.85 1npm h LYS 239 Ca 0.10 -0.24 0.14 0.00 -1.87 0.00 0.00 60.65 58.78 1npm h LYS 239 Cb 0.42 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.60 1npm h LYS 239 CO -0.29 0.81 0.60 -0.22 -0.57 0.00 0.00 179.45 179.77 1npm h LYS 240 N 0.46 0.78 -0.10 3.15 1.63 -1.19 -0.89 116.57 120.42 1npm h LYS 240 Ca 0.09 -0.05 -0.19 0.00 -0.85 0.00 0.00 60.65 59.65 1npm h LYS 240 Cb 0.54 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1npm h LYS 240 CO 0.03 0.52 -0.74 1.15 -3.45 0.00 0.00 179.45 176.96 1npm h THR 241 N 0.81 1.35 -0.03 1.00 2.02 -1.29 -3.30 112.91 113.47 1npm h THR 241 Ca 0.47 -2.09 -0.25 0.00 0.77 0.00 0.00 66.41 65.31 1npm h THR 241 Cb 0.63 2.07 0.02 0.00 -1.74 0.00 0.00 68.15 69.13 1npm h THR 241 CO -0.23 0.64 -0.96 0.24 0.37 0.00 0.00 175.52 175.57 1npm h MET 242 N 0.35 0.70 -0.01 6.66 2.86 -1.12 -3.52 114.93 120.85 1npm h MET 242 Ca -0.03 -0.72 0.00 0.00 -2.06 0.00 0.00 59.70 56.89 1npm h MET 242 Cb 1.32 0.20 0.00 0.00 0.06 0.00 0.00 31.60 33.18 1npm h MET 242 CO 0.13 1.30 0.00 -0.25 1.06 0.00 0.00 176.91 179.15