#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 3.71 -1.45 1.39 1.43 -0.34 -4.10 118.68 119.33 1npm s LEU 17 Ca 0.00 -0.06 -0.10 0.00 -1.03 0.00 0.00 54.13 52.94 1npm s LEU 17 Cb 0.00 -2.41 0.06 0.00 0.03 0.00 0.00 46.19 43.88 1npm s LEU 17 CO 0.00 0.17 0.72 -0.62 0.23 0.00 0.00 176.35 176.85 1npm n GLU 18 N 0.46 -4.62 0.00 1.70 -0.58 -1.26 -2.92 120.64 113.42 1npm n GLU 18 Ca -0.09 0.62 0.00 0.00 -0.42 0.00 0.00 57.16 57.27 1npm n GLU 18 Cb 0.52 -5.44 0.00 0.00 -0.57 0.00 0.00 31.44 25.95 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 -1.47 5.85 3.66 0.62 0.00 -1.26 -4.72 105.19 107.87 1npm n GLY 19 Ca -0.01 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 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 1.66 1.48 0.06 1.61 3.03 -0.41 -4.96 118.95 121.42 1npm s ARG 20 Ca 0.00 -0.72 -0.35 0.00 2.03 0.00 0.00 55.73 56.69 1npm s ARG 20 Cb 0.00 0.57 -0.14 0.00 -1.03 0.00 0.00 34.95 34.35 1npm s ARG 20 CO 0.00 -0.67 1.61 -1.91 -1.13 0.00 0.00 175.30 173.20 1npm n GLU 21 N -0.42 1.89 -1.19 3.89 2.13 -1.26 -0.48 120.64 125.20 1npm n GLU 21 Ca -0.09 0.68 -0.30 0.00 0.66 0.00 0.00 57.16 58.11 1npm n GLU 21 Cb 0.62 -2.44 0.14 0.00 0.27 0.00 0.00 31.44 30.02 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 -2.92 3.80 -0.25 0.00 1.01 -1.26 -4.88 121.20 116.70 1npm s ILE 23 Ca 0.63 1.28 -0.43 0.00 0.00 0.00 0.00 60.65 62.13 1npm s ILE 23 Cb -0.18 -3.82 -0.19 0.00 0.01 0.00 0.00 42.46 38.28 1npm s ILE 23 CO 0.57 0.09 1.44 -2.65 0.00 0.00 0.00 174.94 174.39 1npm n PRO 24 N 4.09 0.32 -1.72 2.79 -0.02 -1.26 -0.96 135.00 138.25 1npm n PRO 24 Ca 0.10 0.12 -0.20 0.00 -2.02 0.00 0.00 63.50 61.50 1npm n PRO 24 Cb 0.45 -1.67 -0.07 0.00 -0.02 0.00 0.00 33.50 32.19 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 3.33 -0.15 0.54 6.00 8.25 -1.26 -4.86 115.22 127.07 1npm n HIS 25 Ca 0.26 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.84 1npm n HIS 25 Cb 0.04 -3.48 0.45 0.00 1.12 0.00 0.00 29.99 28.11 1npm n HIS 25 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1npm n SER 26 N -1.38 0.72 -3.59 0.41 3.41 -0.13 -3.68 113.62 109.39 1npm n SER 26 Ca -0.21 0.61 -0.27 0.00 -0.26 0.00 0.00 58.87 58.74 1npm n SER 26 Cb 0.67 -0.79 -0.10 0.00 -0.26 0.00 0.00 64.21 63.74 1npm n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1npm n GLN 27 N -2.22 1.88 0.22 4.33 1.13 -1.26 -4.98 117.38 116.49 1npm n GLN 27 Ca 0.04 -4.34 0.17 0.00 -1.94 0.00 0.00 57.00 50.94 1npm n GLN 27 Cb 0.34 -2.12 0.78 0.00 0.11 0.00 0.00 30.24 29.36 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 4.76 0.00 -0.01 -1.09 0.11 -1.79 -1.94 132.00 132.04 1npm h PRO 28 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1npm h PRO 28 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1npm h PRO 28 CO 0.71 0.00 -0.28 -2.67 -0.21 0.00 0.00 178.00 175.55 1npm n TRP 29 N -3.28 0.00 -1.90 0.65 2.14 -1.16 -2.50 117.44 111.40 1npm n TRP 29 Ca 0.02 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.17 1npm n TRP 29 Cb 0.49 -0.10 -0.03 0.00 -0.81 0.00 0.00 31.31 30.86 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 -2.47 4.17 0.42 -2.67 2.00 -0.73 -0.24 119.66 120.14 1npm s GLN 30 Ca 0.24 2.33 0.07 0.00 -2.00 0.00 0.00 55.36 56.00 1npm s GLN 30 Cb 0.19 -3.95 -0.06 0.00 0.80 0.00 0.00 33.01 29.99 1npm s GLN 30 CO 0.52 -0.85 0.09 0.00 -0.50 0.00 0.00 175.29 174.54 1npm s ALA 31 N 3.85 3.40 -0.11 1.58 0.00 -0.46 -4.24 121.76 125.79 1npm s ALA 31 Ca 0.78 -2.14 -0.07 0.00 0.00 0.00 0.00 51.96 50.53 1npm s ALA 31 Cb -0.37 -0.07 0.04 0.00 0.00 0.00 0.00 23.12 22.71 1npm s ALA 31 CO 0.33 -0.14 0.26 0.00 0.00 0.00 0.00 175.76 176.21 1npm s ALA 32 N -2.67 -0.61 -0.25 0.00 0.00 -0.67 -0.79 121.76 116.77 1npm s ALA 32 Ca 0.36 0.95 -0.17 0.00 0.00 0.00 0.00 51.96 53.10 1npm s ALA 32 Cb 0.07 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 1npm s ALA 32 CO 0.19 -0.18 0.46 -0.51 0.00 0.00 0.00 175.76 175.72 1npm s LEU 33 N 0.93 4.06 0.11 0.00 1.43 0.01 -1.13 118.68 124.09 1npm s LEU 33 Ca -0.06 0.45 0.10 0.00 -1.03 0.00 0.00 54.13 53.59 1npm s LEU 33 Cb -0.08 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 1npm s LEU 33 CO -0.06 -0.23 -0.26 -0.36 0.23 0.00 0.00 176.35 175.67 1npm s PHE 34 N 2.09 2.26 -0.67 0.29 0.40 0.07 -0.49 117.98 121.94 1npm s PHE 34 Ca 0.19 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 56.18 1npm s PHE 34 Cb -0.16 -1.25 0.18 0.00 0.51 0.00 0.00 43.02 42.31 1npm s PHE 34 CO 0.09 0.28 0.53 1.04 0.70 0.00 0.00 175.22 177.87 1npm n GLN 35 N 1.11 1.82 0.00 0.44 6.02 -0.73 -0.88 117.38 125.15 1npm n GLN 35 Ca -0.18 -4.41 0.00 0.00 -0.01 0.00 0.00 57.00 52.41 1npm n GLN 35 Cb 0.53 -2.22 0.00 0.00 1.02 0.00 0.00 30.24 29.57 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 1.82 1.40 1.60 1.08 0.00 -1.26 -2.93 105.19 106.89 1npm n GLY 36 Ca 0.22 -0.67 0.04 0.00 0.00 0.00 0.00 46.02 45.61 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 9.90 3.89 -3.73 1.61 4.71 -1.26 -4.91 120.64 130.86 1npm n GLU 38 Ca 0.00 -3.06 -0.38 0.00 -0.01 0.00 0.00 57.16 53.71 1npm n GLU 38 Cb 0.00 -2.11 -0.12 0.00 -1.01 0.00 0.00 31.44 28.19 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 -2.87 2.92 -0.01 3.49 6.06 -1.15 -5.07 118.95 122.31 1npm s ARG 39 Ca 0.51 -0.98 -0.30 0.00 -2.50 0.00 0.00 55.73 52.46 1npm s ARG 39 Cb 0.40 -3.46 -0.06 0.00 0.06 0.00 0.00 34.95 31.89 1npm s ARG 39 CO 0.12 -0.55 1.60 -1.17 -2.50 0.00 0.00 175.30 172.81 1npm s LEU 40 N 1.48 4.33 -0.21 -0.88 2.96 -1.26 -1.77 118.68 123.33 1npm s LEU 40 Ca 0.01 2.27 -0.17 0.00 -0.22 0.00 0.00 54.13 56.02 1npm s LEU 40 Cb -0.18 -3.55 -0.13 0.00 0.50 0.00 0.00 46.19 42.83 1npm s LEU 40 CO 0.03 -0.88 -0.06 -0.38 -1.32 0.00 0.00 176.35 173.75 1npm n ILE 41 N 5.13 1.51 -3.86 6.68 2.08 0.36 -4.97 119.36 126.30 1npm n ILE 41 Ca 0.16 -0.06 -0.09 0.00 0.56 0.00 0.00 62.75 63.32 1npm n ILE 41 Cb 0.42 -2.09 0.01 0.00 -0.75 0.00 0.00 39.64 37.23 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 -3.06 1.84 0.36 0.00 0.00 0.15 -0.81 107.32 105.79 1npm s GLY 43 Ca 0.17 -1.89 -0.12 0.00 0.00 0.00 0.00 44.72 42.88 1npm s GLY 43 CO 0.12 -1.57 0.67 -0.32 0.00 0.00 0.00 173.10 172.00 1npm s GLY 44 N -4.51 0.71 -0.03 0.20 0.00 0.03 -3.68 107.32 100.06 1npm s GLY 44 Ca 0.58 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 44.33 1npm s GLY 44 CO 0.36 -0.54 -0.01 0.14 0.00 0.00 0.00 173.10 173.05 1npm s VAL 45 N -2.73 0.25 -0.21 1.40 1.01 0.02 -1.35 120.40 118.79 1npm s VAL 45 Ca 0.20 0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.95 1npm s VAL 45 Cb -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 36.03 1npm s VAL 45 CO 0.14 0.14 0.80 -0.22 0.00 0.00 0.00 175.10 175.96 1npm s LEU 46 N 0.76 4.13 0.00 3.92 2.96 0.67 0.23 118.68 131.34 1npm s LEU 46 Ca -0.08 1.07 0.04 0.00 -0.22 0.00 0.00 54.13 54.94 1npm s LEU 46 Cb -0.11 -3.17 -0.01 0.00 0.50 0.00 0.00 46.19 43.40 1npm s LEU 46 CO -0.01 -0.44 0.37 1.33 -1.32 0.00 0.00 176.35 176.28 1npm n VAL 47 N 4.96 0.00 -3.65 1.68 0.24 -0.53 -1.26 118.33 119.77 1npm n VAL 47 Ca 0.04 -0.45 -0.04 0.00 -2.04 0.00 0.00 64.34 61.85 1npm n VAL 47 Cb 0.48 1.04 -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 -0.94 -0.33 0.00 7.63 0.00 -1.09 -4.80 107.32 107.79 1npm s GLY 48 Ca 0.03 0.60 0.11 0.00 0.00 0.00 0.00 44.72 45.46 1npm s GLY 48 CO 0.11 0.16 1.32 2.09 0.00 0.00 0.00 173.10 176.78 1npm n ASP 49 N -0.38 0.00 0.00 1.64 5.68 -1.26 -2.18 116.55 120.05 1npm n ASP 49 Ca -0.07 0.39 0.00 0.00 -0.50 0.00 0.00 54.79 54.62 1npm n ASP 49 Cb 0.61 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 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 -1.44 0.05 -4.70 0.11 3.00 -1.26 -1.12 116.66 111.31 1npm n ARG 50 Ca 0.03 -0.49 -0.23 0.00 -0.00 0.00 0.00 57.85 57.16 1npm n ARG 50 Cb 0.11 -0.78 -0.15 0.00 0.00 0.00 0.00 32.46 31.64 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 -0.15 1.37 -0.05 -0.14 0.52 -0.93 -0.37 118.94 119.18 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 -0.89 0.01 0.00 -1.15 0.00 0.00 33.47 31.44 1npm s TRP 51 CO 0.00 -0.05 -0.09 0.08 0.02 0.00 0.00 176.95 176.91 1npm s VAL 52 N -0.26 0.90 -0.08 4.03 1.01 -0.75 -1.46 120.40 123.79 1npm s VAL 52 Ca 0.04 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 1npm s VAL 52 Cb -0.07 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 1npm s VAL 52 CO -0.00 0.30 0.24 -0.76 0.00 0.00 0.00 175.10 174.87 1npm s LEU 53 N 0.64 4.41 0.00 3.92 1.43 0.14 -0.37 118.68 128.85 1npm s LEU 53 Ca -0.12 0.63 -0.04 0.00 -1.03 0.00 0.00 54.13 53.58 1npm s LEU 53 Cb -0.14 -2.26 0.02 0.00 0.03 0.00 0.00 46.19 43.83 1npm s LEU 53 CO 0.02 0.36 0.35 0.35 0.23 0.00 0.00 176.35 177.67 1npm n THR 54 N 2.03 0.00 -3.15 5.49 -2.24 -0.57 -0.80 114.28 115.05 1npm n THR 54 Ca -0.17 -0.90 -0.39 0.00 -2.27 0.00 0.00 64.05 60.31 1npm n THR 54 Cb 0.54 0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 69.34 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 -2.07 3.51 0.55 6.98 0.00 -1.26 -0.78 121.76 128.70 1npm s ALA 55 Ca 0.15 0.16 0.24 0.00 0.00 0.00 0.00 51.96 52.50 1npm s ALA 55 Cb -0.01 -2.78 1.48 0.00 0.00 0.00 0.00 23.12 21.80 1npm s ALA 55 CO 0.11 0.31 2.11 0.00 0.00 0.00 0.00 175.76 178.28 1npm h ALA 56 N 4.70 2.03 0.00 0.00 0.00 -1.68 -1.51 119.26 122.80 1npm h ALA 56 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1npm h ALA 56 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1npm h ALA 56 CO 0.66 -0.26 0.00 -2.39 0.00 0.00 0.00 179.25 177.25 1npm n HIS 57 N -4.20 0.00 0.83 0.00 1.44 -1.26 -2.67 115.22 109.36 1npm n HIS 57 Ca 0.02 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.85 1npm n HIS 57 Cb 0.30 -0.15 0.25 0.00 0.12 0.00 0.00 29.99 30.50 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 -1.74 1.80 -4.29 0.00 4.81 -1.09 -4.95 118.16 112.70 1npm n LYS 59 Ca 0.05 0.65 -0.19 0.00 -0.87 0.00 0.00 58.31 57.95 1npm n LYS 59 Cb 0.38 -2.39 -0.11 0.00 0.02 0.00 0.00 35.03 32.93 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 1.43 1.16 0.39 1.64 -0.14 -1.26 -5.05 119.74 117.92 1npm s LYS 60 Ca 0.84 -1.39 0.17 0.00 -1.36 0.00 0.00 55.97 54.23 1npm s LYS 60 Cb -0.79 -1.03 0.80 0.00 -1.68 0.00 0.00 37.83 35.14 1npm s LYS 60 CO 0.44 0.19 1.82 1.96 -0.76 0.00 0.00 175.35 179.00 1npm h GLN 61 N 3.14 0.00 -2.88 1.68 7.50 -2.04 -3.42 115.11 119.08 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 0.55 0.35 -0.55 -1.59 -1.50 0.00 0.00 178.83 176.09 1npm s LYS 62 N -3.97 0.13 -0.07 1.46 -2.85 -1.26 -5.15 119.74 108.04 1npm s LYS 62 Ca -0.02 0.69 -0.29 0.00 -1.00 0.00 0.00 55.97 55.35 1npm s LYS 62 Cb 0.13 -0.12 0.10 0.00 -2.06 0.00 0.00 37.83 35.88 1npm s LYS 62 CO 0.69 -0.31 0.87 1.52 0.10 0.00 0.00 175.35 178.23 1npm s TYR 63 N 2.40 -0.43 0.38 1.78 1.13 -1.26 -4.80 117.35 116.54 1npm s TYR 63 Ca 0.02 0.60 0.08 0.00 -1.41 0.00 0.00 57.07 56.35 1npm s TYR 63 Cb -0.12 0.47 -0.04 0.00 -1.10 0.00 0.00 41.96 41.17 1npm s TYR 63 CO -0.08 -0.49 0.20 -1.54 -2.51 0.00 0.00 175.55 171.13 1npm s SER 64 N -1.63 4.66 -0.12 -0.18 1.04 -0.06 -4.14 113.70 113.27 1npm s SER 64 Ca -0.02 -0.88 0.03 0.00 0.48 0.00 0.00 55.95 55.56 1npm s SER 64 Cb -0.01 -0.61 0.00 0.00 0.10 0.00 0.00 66.02 65.51 1npm s SER 64 CO -0.01 -0.45 -0.22 -0.69 0.98 0.00 0.00 173.24 172.85 1npm s VAL 65 N -2.50 2.17 -0.13 5.02 1.01 -0.32 -0.75 120.40 124.89 1npm s VAL 65 Ca 0.41 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 1npm s VAL 65 Cb -0.00 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 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 0.52 3.47 0.33 2.72 0.52 -0.29 -0.79 118.95 125.44 1npm s ARG 66 Ca -0.14 -0.47 0.05 0.00 -0.52 0.00 0.00 55.73 54.65 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 0.05 0.39 0.01 -0.51 0.02 0.00 0.00 175.30 175.26 1npm s LEU 67 N -0.04 2.42 -0.44 2.53 1.43 -0.10 -1.67 118.68 122.82 1npm s LEU 67 Ca 0.02 -1.32 0.00 0.00 -1.03 0.00 0.00 54.13 51.81 1npm s LEU 67 Cb -0.13 -0.57 0.00 0.00 0.03 0.00 0.00 46.19 45.52 1npm s LEU 67 CO 0.02 -0.49 0.00 0.61 0.23 0.00 0.00 176.35 176.72 1npm n GLY 69 N -0.71 0.46 3.85 -3.19 0.00 -1.26 -1.58 105.19 102.75 1npm n GLY 69 Ca -0.04 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.18 6.75 0.11 1.61 1.01 -1.26 -3.34 116.67 119.37 1npm s ASP 70 Ca 0.00 1.38 0.00 0.00 0.71 0.00 0.00 52.55 54.64 1npm s ASP 70 Cb 0.00 -2.42 0.00 0.00 1.01 0.00 0.00 42.92 41.51 1npm s ASP 70 CO 0.00 -0.31 0.00 1.57 0.21 0.00 0.00 175.17 176.64 1npm n HIS 71 N -0.71 -0.64 -4.26 4.23 -0.00 -1.26 -4.80 115.22 107.77 1npm n HIS 71 Ca 0.04 0.11 -0.35 0.00 -0.00 0.00 0.00 57.72 57.53 1npm n HIS 71 Cb 0.54 0.21 -0.09 0.00 -0.00 0.00 0.00 29.99 30.65 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 5.48 0.00 0.26 0.15 -1.26 -1.51 113.70 111.40 1npm s SER 72 Ca 0.00 0.21 0.31 0.00 0.70 0.00 0.00 55.95 57.17 1npm s SER 72 Cb 0.00 -1.59 1.66 0.00 -1.71 0.00 0.00 66.02 64.37 1npm s SER 72 CO 0.00 0.38 2.10 0.18 1.20 0.00 0.00 173.24 177.10 1npm n LEU 73 N 2.06 0.16 -1.64 3.45 4.77 -0.54 -3.11 117.00 122.15 1npm n LEU 73 Ca -0.19 0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 55.81 1npm n LEU 73 Cb 0.54 -0.10 0.27 0.00 -2.33 0.00 0.00 43.42 41.79 1npm n LEU 73 CO 0.29 0.03 0.93 0.00 -1.33 0.00 0.00 177.39 177.31 1npm n GLN 74 N -1.00 3.13 -1.23 3.23 1.13 -1.26 -5.16 117.38 116.22 1npm n GLN 74 Ca 0.20 -3.06 0.00 0.00 -1.94 0.00 0.00 57.00 52.20 1npm n GLN 74 Cb 0.18 -2.07 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 -0.47 0.00 -3.74 1.08 2.88 -1.18 -5.21 113.62 106.97 1npm n SER 75 Ca 0.37 -0.97 -0.41 0.00 -1.33 0.00 0.00 58.87 56.52 1npm n SER 75 Cb 1.25 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.72 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 0.00 5.12 -0.06 -1.46 10.64 -1.26 -4.93 117.38 125.43 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 0.00 -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 4.57 0.46 -6.63 2.61 0.11 -1.96 -3.45 132.00 127.71 1npm h PRO 79 Ca 0.43 -0.26 -0.57 0.00 0.11 0.00 0.00 66.00 65.71 1npm h PRO 79 Cb 0.41 0.02 0.08 0.00 0.11 0.00 0.00 31.00 31.62 1npm h PRO 79 CO 1.22 0.84 0.73 -0.85 -0.21 0.00 0.00 178.00 179.73 1npm n GLU 80 N -4.45 2.25 -3.98 1.05 0.00 -1.21 -4.46 120.64 109.84 1npm n GLU 80 Ca -0.06 0.80 -0.09 0.00 0.00 0.00 0.00 57.16 57.82 1npm n GLU 80 Cb 0.42 -2.52 -0.10 0.00 0.00 0.00 0.00 31.44 29.24 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 -0.13 0.46 -0.15 3.44 -0.21 -0.61 -4.97 119.66 117.48 1npm s GLN 81 Ca 0.69 -0.74 -0.01 0.00 0.02 0.00 0.00 55.36 55.33 1npm s GLN 81 Cb -0.61 0.17 0.04 0.00 1.00 0.00 0.00 33.01 33.61 1npm s GLN 81 CO 0.46 -0.09 -0.03 -2.00 -2.12 0.00 0.00 175.29 171.51 1npm s GLU 82 N -2.20 1.14 0.07 2.91 2.12 -1.26 -0.92 118.70 120.57 1npm s GLU 82 Ca -0.09 -0.37 0.09 0.00 0.36 0.00 0.00 54.97 54.97 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 -0.03 -0.44 -0.24 0.42 -0.54 0.00 0.00 175.26 174.43 1npm s ILE 83 N 1.74 2.39 0.67 -3.70 1.01 0.03 -4.97 121.20 118.38 1npm s ILE 83 Ca 0.01 -1.45 -0.11 0.00 0.00 0.00 0.00 60.65 59.10 1npm s ILE 83 Cb -0.15 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 1npm s ILE 83 CO -0.07 0.26 1.07 -1.10 0.00 0.00 0.00 174.94 175.09 1npm s GLN 84 N -1.59 3.18 -0.23 2.79 -1.52 -1.26 -1.18 119.66 119.85 1npm s GLN 84 Ca 0.14 0.60 -0.10 0.00 -1.95 0.00 0.00 55.36 54.04 1npm s GLN 84 Cb -0.10 -2.05 -0.05 0.00 -0.22 0.00 0.00 33.01 30.59 1npm s GLN 84 CO 0.05 -0.84 0.15 0.08 -0.25 0.00 0.00 175.29 174.48 1npm s VAL 85 N -3.27 5.34 -0.19 1.09 1.01 -1.26 -0.83 120.40 122.28 1npm s VAL 85 Ca 0.57 0.17 -0.21 0.00 0.00 0.00 0.00 61.98 62.51 1npm s VAL 85 Cb -0.11 -3.48 -0.20 0.00 0.00 0.00 0.00 36.38 32.59 1npm s VAL 85 CO 0.53 0.37 0.28 0.00 0.00 0.00 0.00 175.10 176.28 1npm h ALA 86 N 7.31 0.25 -3.39 5.51 0.00 -0.82 -3.43 119.26 124.68 1npm h ALA 86 Ca -0.39 -1.16 -0.20 0.00 0.00 0.00 0.00 54.91 53.17 1npm h ALA 86 Cb 1.17 0.67 -0.26 0.00 0.00 0.00 0.00 17.79 19.37 1npm h ALA 86 CO 0.68 0.68 -0.63 -1.14 0.00 0.00 0.00 179.25 178.85 1npm s GLN 87 N -2.37 0.16 -0.26 0.00 0.74 -0.93 -4.99 119.66 112.02 1npm s GLN 87 Ca -0.27 -0.05 -0.03 0.00 0.05 0.00 0.00 55.36 55.06 1npm s GLN 87 Cb 0.05 0.07 0.02 0.00 1.10 0.00 0.00 33.01 34.25 1npm s GLN 87 CO 0.62 -0.03 -0.03 -1.12 -0.55 0.00 0.00 175.29 174.18 1npm s SER 88 N -0.32 4.51 -0.38 6.67 0.01 -1.26 -0.63 113.70 122.30 1npm s SER 88 Ca -0.04 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.39 1npm s SER 88 Cb -0.03 -1.72 0.10 0.00 0.21 0.00 0.00 66.02 64.59 1npm s SER 88 CO 0.00 -0.14 0.13 -0.63 0.41 0.00 0.00 173.24 173.01 1npm s ILE 89 N 1.37 2.84 0.53 1.44 1.01 0.01 -5.01 121.20 123.40 1npm s ILE 89 Ca 0.01 -2.17 -0.17 0.00 0.00 0.00 0.00 60.65 58.32 1npm s ILE 89 Cb -0.17 -3.00 -0.07 0.00 0.01 0.00 0.00 42.46 39.24 1npm s ILE 89 CO -0.03 -0.64 1.01 -1.10 0.00 0.00 0.00 174.94 174.18 1npm s GLN 90 N 1.04 3.77 0.29 2.79 -0.21 -1.26 -1.12 119.66 124.96 1npm s GLN 90 Ca 0.09 1.04 -0.30 0.00 0.02 0.00 0.00 55.36 56.22 1npm s GLN 90 Cb -0.21 -2.10 -0.11 0.00 1.00 0.00 0.00 33.01 31.59 1npm s GLN 90 CO -0.06 -0.43 1.48 -1.58 -2.12 0.00 0.00 175.29 172.59 1npm s HIS 91 N -2.55 2.87 0.27 0.91 5.65 -0.71 -4.88 115.29 116.85 1npm s HIS 91 Ca 0.61 1.01 0.01 0.00 0.25 0.00 0.00 55.06 56.93 1npm s HIS 91 Cb -0.12 -3.92 0.61 0.00 -1.18 0.00 0.00 32.58 27.97 1npm s HIS 91 CO 0.32 -2.94 1.74 -1.00 -0.65 0.00 0.00 174.74 172.22 1npm h PRO 92 N 4.49 0.54 0.00 2.88 0.13 -1.93 -2.19 132.00 135.91 1npm h PRO 92 Ca -0.47 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1npm h PRO 92 Cb 1.22 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1npm h PRO 92 CO 0.75 0.35 0.00 0.00 -0.23 0.00 0.00 178.00 178.87 1npm n TYR 94 N -1.01 -0.07 0.00 0.00 9.36 -0.83 -4.88 117.16 119.74 1npm n TYR 94 Ca 0.18 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.40 1npm n TYR 94 Cb 0.09 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.80 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 -4.91 2.98 3.02 -1.26 -4.98 115.26 110.11 1npm n ASN 95 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.26 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 -0.42 6.44 -0.46 6.41 0.01 -1.26 -4.67 113.70 119.76 1npm s SER 95 Ca 0.00 0.60 -0.00 0.00 1.31 0.00 0.00 55.95 57.86 1npm s SER 95 Cb 0.00 -2.10 -0.00 0.00 0.21 0.00 0.00 66.02 64.13 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 -0.65 -5.60 -0.01 2.44 4.05 -1.26 -4.88 115.26 109.36 1npm n ASN 95 Ca -0.03 -0.05 0.00 0.00 0.45 0.00 0.00 54.58 54.96 1npm n ASN 95 Cb 0.53 -3.67 0.00 0.00 1.23 0.00 0.00 39.78 37.87 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 -1.48 0.80 0.10 1.20 -0.04 -1.26 -2.36 135.00 131.96 1npm n PRO 95 Ca -0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 1npm n PRO 95 Cb 0.50 -1.01 0.04 0.00 -0.04 0.00 0.00 33.50 33.00 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 0.04 -5.63 0.54 5.08 -1.99 -3.41 114.58 109.20 1npm h GLU 97 Ca 0.00 -0.04 -0.62 0.00 -1.00 0.00 0.00 59.36 57.70 1npm h GLU 97 Cb 0.01 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.15 1npm h GLU 97 CO 0.00 0.81 0.26 0.34 -1.00 0.00 0.00 179.01 179.42 1npm s ASP 98 N -6.82 6.52 -0.04 1.42 2.15 -0.99 -4.92 116.67 113.99 1npm s ASP 98 Ca -0.01 0.35 0.21 0.00 0.43 0.00 0.00 52.55 53.52 1npm s ASP 98 Cb 0.11 -2.36 0.66 0.00 -0.30 0.00 0.00 42.92 41.03 1npm s ASP 98 CO 0.79 -0.62 1.56 1.41 -0.17 0.00 0.00 175.17 178.14 1npm n HIS 99 N 6.16 1.15 -1.94 -5.34 8.25 -1.26 -4.99 115.22 117.25 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 -0.95 6.55 -1.46 0.41 0.01 -1.26 -3.26 113.70 113.73 1npm s SER 100 Ca 0.49 2.84 -0.10 0.00 1.31 0.00 0.00 55.95 60.49 1npm s SER 100 Cb 0.28 -2.65 0.05 0.00 0.21 0.00 0.00 66.02 63.91 1npm s SER 100 CO 0.30 -0.74 0.93 1.41 0.41 0.00 0.00 173.24 175.55 1npm n HIS 101 N 1.21 -2.37 -1.80 2.43 8.25 -1.26 -4.56 115.22 117.12 1npm n HIS 101 Ca 0.03 0.83 -0.42 0.00 -0.26 0.00 0.00 57.72 57.90 1npm n HIS 101 Cb 0.40 -4.27 -0.01 0.00 1.12 0.00 0.00 29.99 27.23 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 -2.78 3.83 -3.85 0.41 2.03 -1.20 -4.52 116.55 110.47 1npm n ASP 102 Ca 0.00 -2.83 -0.12 0.00 0.52 0.00 0.00 54.79 52.37 1npm n ASP 102 Cb 0.55 -1.60 -0.10 0.00 -0.72 0.00 0.00 41.12 39.25 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 3.86 0.06 -0.23 5.18 2.07 -1.26 -3.58 121.20 127.31 1npm s ILE 103 Ca 0.50 -0.50 -0.18 0.00 -1.41 0.00 0.00 60.65 59.06 1npm s ILE 103 Cb 0.12 -0.39 0.06 0.00 0.13 0.00 0.00 42.46 42.38 1npm s ILE 103 CO -0.03 -0.28 0.58 -0.32 -1.91 0.00 0.00 174.94 172.99 1npm s MET 104 N -0.99 0.64 -0.17 3.50 -2.45 0.04 -1.74 119.30 118.13 1npm s MET 104 Ca -0.11 0.90 -0.08 0.00 -1.25 0.00 0.00 55.69 55.15 1npm s MET 104 Cb -0.06 0.23 -0.04 0.00 1.25 0.00 0.00 34.83 36.21 1npm s MET 104 CO 0.01 -0.11 0.11 -0.51 1.05 0.00 0.00 175.02 175.57 1npm s LEU 105 N 0.78 4.13 -0.20 4.11 1.43 -0.27 -1.51 118.68 127.15 1npm s LEU 105 Ca -0.04 0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 53.28 1npm s LEU 105 Cb -0.05 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 1npm s LEU 105 CO -0.06 0.26 -0.03 -0.63 0.23 0.00 0.00 176.35 176.11 1npm s ILE 106 N -0.11 3.60 -0.26 -0.59 1.01 0.50 -0.81 121.20 124.56 1npm s ILE 106 Ca 0.09 -0.43 -0.19 0.00 0.00 0.00 0.00 60.65 60.12 1npm s ILE 106 Cb -0.12 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 1npm s ILE 106 CO 0.00 0.44 0.56 -0.60 0.00 0.00 0.00 174.94 175.34 1npm s ARG 107 N 1.14 4.09 0.27 2.79 3.52 0.20 -1.81 118.95 129.15 1npm s ARG 107 Ca 0.02 0.42 -0.29 0.00 -0.13 0.00 0.00 55.73 55.75 1npm s ARG 107 Cb -0.15 -3.65 -0.09 0.00 -1.56 0.00 0.00 34.95 29.50 1npm s ARG 107 CO 0.00 -0.37 1.03 -0.51 -0.81 0.00 0.00 175.30 174.64 1npm s LEU 108 N 2.37 4.55 0.28 -0.88 1.43 0.50 -0.20 118.68 126.74 1npm s LEU 108 Ca 0.23 2.12 -0.03 0.00 -1.03 0.00 0.00 54.13 55.42 1npm s LEU 108 Cb -0.16 -3.68 0.40 0.00 0.03 0.00 0.00 46.19 42.79 1npm s LEU 108 CO 0.09 -0.05 1.92 -0.61 0.23 0.00 0.00 176.35 177.93 1npm h GLN 109 N 3.82 1.06 -5.30 1.70 5.75 -1.26 -3.42 115.11 117.46 1npm h GLN 109 Ca -0.46 -0.10 -0.38 0.00 -0.15 0.00 0.00 58.65 57.55 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 0.76 -0.73 -0.80 -2.65 0.00 0.00 178.83 176.08 1npm s ASN 110 N -6.35 2.12 0.47 -0.69 0.01 -1.26 -4.97 114.94 104.27 1npm s ASN 110 Ca -0.11 -0.99 -0.21 0.00 -0.71 0.00 0.00 52.86 50.84 1npm s ASN 110 Cb 0.17 -0.07 -0.08 0.00 0.41 0.00 0.00 41.25 41.68 1npm s ASN 110 CO 0.80 -0.25 1.05 -0.44 -1.51 0.00 0.00 177.10 176.76 1npm s SER 111 N -3.14 6.37 0.12 -1.22 0.01 -1.26 -4.83 113.70 109.75 1npm s SER 111 Ca 0.18 1.98 -0.15 0.00 1.31 0.00 0.00 55.95 59.27 1npm s SER 111 Cb 0.00 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.60 1npm s SER 111 CO 0.03 -0.76 0.54 0.00 0.41 0.00 0.00 173.24 173.46 1npm s ALA 112 N -1.88 3.59 -0.31 1.44 0.00 -0.28 -5.03 121.76 119.30 1npm s ALA 112 Ca 0.66 -0.11 -0.29 0.00 0.00 0.00 0.00 51.96 52.21 1npm s ALA 112 Cb -0.19 -2.53 0.01 0.00 0.00 0.00 0.00 23.12 20.42 1npm s ALA 112 CO 0.22 0.45 1.21 -0.80 0.00 0.00 0.00 175.76 176.85 1npm s ASN 113 N -1.56 6.77 0.22 0.00 0.01 -1.26 -4.91 114.94 114.20 1npm s ASN 113 Ca 0.35 1.14 -0.12 0.00 -0.71 0.00 0.00 52.86 53.52 1npm s ASN 113 Cb -0.16 -2.54 -0.07 0.00 0.41 0.00 0.00 41.25 38.89 1npm s ASN 113 CO 0.19 -1.00 0.58 -0.76 -1.51 0.00 0.00 177.10 174.59 1npm s LEU 114 N 4.08 4.21 0.00 0.60 1.43 -1.26 -4.78 118.68 122.96 1npm s LEU 114 Ca 0.52 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.65 1npm s LEU 114 Cb -0.15 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.46 1npm s LEU 114 CO 0.20 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.36 1npm n GLY 115 N 0.15 2.37 0.19 -3.19 0.00 0.21 -4.94 105.19 99.97 1npm n GLY 115 Ca -0.01 -0.72 0.08 0.00 0.00 0.00 0.00 46.02 45.37 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 0.13 1.61 3.32 -2.00 -3.26 116.42 116.22 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 0.23 -0.74 0.29 -1.72 0.00 0.00 179.24 177.30 1npm n LYS 117 N -3.18 0.27 -3.41 3.56 5.02 -1.26 -4.76 118.16 114.40 1npm n LYS 117 Ca 0.03 -0.21 -0.19 0.00 -2.02 0.00 0.00 58.31 55.92 1npm n LYS 117 Cb 0.59 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.01 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 -2.87 -0.31 0.03 -0.18 1.01 -1.23 -4.52 120.40 112.32 1npm s VAL 118 Ca 0.12 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 1npm s VAL 118 Cb 0.17 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 1npm s VAL 118 CO 0.75 -0.56 0.12 -1.59 0.00 0.00 0.00 175.10 173.83 1npm s LYS 119 N 2.02 0.57 0.65 2.72 -2.85 -1.04 -0.62 119.74 121.19 1npm s LYS 119 Ca 0.12 -0.63 -0.16 0.00 -1.00 0.00 0.00 55.97 54.30 1npm s LYS 119 Cb -0.15 0.23 -0.00 0.00 -2.06 0.00 0.00 37.83 35.85 1npm s LYS 119 CO -0.24 -0.14 1.13 -1.25 0.10 0.00 0.00 175.35 174.95 1npm s PRO 120 N -2.22 2.76 0.47 1.78 0.04 -1.26 -2.97 135.00 133.60 1npm s PRO 120 Ca -0.08 1.51 -0.04 0.00 0.04 0.00 0.00 61.00 62.42 1npm s PRO 120 Cb -0.03 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 1npm s PRO 120 CO -0.03 -1.30 0.76 0.08 0.04 0.00 0.00 177.00 176.55 1npm s VAL 121 N -2.16 4.82 -0.19 -0.36 1.01 -0.39 -4.89 120.40 118.24 1npm s VAL 121 Ca 0.70 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 62.55 1npm s VAL 121 Cb -0.23 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1npm s VAL 121 CO 0.40 -0.76 0.52 -1.58 0.00 0.00 0.00 175.10 173.68 1npm s GLN 122 N -4.69 4.21 0.32 2.72 0.74 -1.26 -4.80 119.66 116.90 1npm s GLN 122 Ca 0.47 0.44 -0.27 0.00 0.05 0.00 0.00 55.36 56.04 1npm s GLN 122 Cb -0.10 -3.55 -0.09 0.00 1.10 0.00 0.00 33.01 30.37 1npm s GLN 122 CO 0.43 -0.12 1.05 -0.51 -0.55 0.00 0.00 175.29 175.60 1npm s LEU 123 N 1.53 4.39 -0.16 3.68 1.43 -1.26 -1.08 118.68 127.21 1npm s LEU 123 Ca 0.25 2.12 -0.28 0.00 -1.03 0.00 0.00 54.13 55.19 1npm s LEU 123 Cb -0.15 -3.87 -0.01 0.00 0.03 0.00 0.00 46.19 42.19 1npm s LEU 123 CO 0.10 -0.24 0.95 0.00 0.23 0.00 0.00 176.35 177.39 1npm s ALA 124 N -1.38 3.53 -0.06 4.21 0.00 -0.85 -4.81 121.76 122.40 1npm s ALA 124 Ca 0.50 0.19 -0.14 0.00 0.00 0.00 0.00 51.96 52.51 1npm s ALA 124 Cb -0.27 -3.39 -0.30 0.00 0.00 0.00 0.00 23.12 19.16 1npm s ALA 124 CO 0.34 -0.75 0.68 -0.91 0.00 0.00 0.00 175.76 175.12 1npm h ASN 125 N 7.29 0.56 -3.55 0.00 2.35 -1.94 -3.34 115.58 116.95 1npm h ASN 125 Ca -0.27 -0.91 -0.52 0.00 -0.55 0.00 0.00 56.30 54.05 1npm h ASN 125 Cb 1.12 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 39.28 1npm h ASN 125 CO 0.88 1.70 0.23 -0.76 -1.65 0.00 0.00 177.43 177.83 1npm s LEU 127 N -7.45 4.57 0.76 1.61 1.43 -1.26 -4.81 118.68 113.53 1npm s LEU 127 Ca -0.16 1.68 -0.11 0.00 -1.03 0.00 0.00 54.13 54.51 1npm s LEU 127 Cb 0.05 -3.37 0.05 0.00 0.03 0.00 0.00 46.19 42.94 1npm s LEU 127 CO 0.83 0.14 1.08 0.00 0.23 0.00 0.00 176.35 178.64 1npm s PRO 129 N -4.98 4.41 -0.10 0.00 0.04 -1.26 -5.04 135.00 128.06 1npm s PRO 129 Ca 0.60 1.85 -0.03 0.00 0.04 0.00 0.00 61.00 63.46 1npm s PRO 129 Cb -0.16 -2.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 1npm s PRO 129 CO 0.56 -0.01 0.02 0.21 0.04 0.00 0.00 177.00 177.81 1npm s LYS 130 N -1.81 3.16 0.03 4.56 2.20 -1.26 -5.05 119.74 121.57 1npm s LYS 130 Ca 0.49 -0.39 -0.38 0.00 -0.36 0.00 0.00 55.97 55.33 1npm s LYS 130 Cb -0.32 -2.87 -0.19 0.00 -1.51 0.00 0.00 37.83 32.94 1npm s LYS 130 CO 0.41 0.64 1.08 0.28 -0.36 0.00 0.00 175.35 177.40 1npm n VAL 132 N 2.35 0.17 0.00 4.02 0.31 -1.26 -1.22 118.33 122.70 1npm n VAL 132 Ca -0.18 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1npm n VAL 132 Cb 0.54 -0.17 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 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 1.73 3.20 3.57 2.92 0.00 0.31 -4.95 105.19 111.97 1npm n GLY 133 Ca 0.19 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.60 1.11 -3.19 1.61 6.02 -0.36 -4.45 117.38 116.52 1npm n GLN 134 Ca 0.00 0.40 -0.39 0.00 -0.01 0.00 0.00 57.00 57.00 1npm n GLN 134 Cb 0.00 -1.90 -0.06 0.00 1.02 0.00 0.00 30.24 29.30 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 -0.27 4.33 0.40 -1.09 1.02 -1.26 -1.49 119.74 121.38 1npm s LYS 135 Ca 0.75 0.61 0.03 0.00 0.02 0.00 0.00 55.97 57.38 1npm s LYS 135 Cb -0.88 -3.48 -0.03 0.00 -0.52 0.00 0.00 37.83 32.92 1npm s LYS 135 CO 0.52 0.03 0.10 0.00 -0.92 0.00 0.00 175.35 175.07 1npm s ILE 137 N -3.19 1.17 -0.05 0.00 1.01 0.76 -0.97 121.20 119.94 1npm s ILE 137 Ca 0.25 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.45 1npm s ILE 137 Cb 0.04 -1.09 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 1npm s ILE 137 CO 0.13 0.37 -0.08 0.27 0.00 0.00 0.00 174.94 175.64 1npm s ILE 138 N 0.96 3.60 0.04 2.92 -4.36 -0.50 -1.58 121.20 122.29 1npm s ILE 138 Ca -0.09 -0.58 -0.10 0.00 -0.26 0.00 0.00 60.65 59.62 1npm s ILE 138 Cb -0.15 -2.48 0.01 0.00 1.25 0.00 0.00 42.46 41.08 1npm s ILE 138 CO 0.00 0.55 0.21 -0.94 0.24 0.00 0.00 174.94 175.00 1npm s SER 139 N -0.94 0.02 0.00 4.36 1.04 -1.25 -0.99 113.70 115.94 1npm s SER 139 Ca 0.13 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1npm s SER 139 Cb -0.11 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1npm s SER 139 CO 0.03 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1npm n GLY 140 N 0.60 -0.06 1.76 7.32 0.00 -0.71 -4.49 105.19 109.61 1npm n GLY 140 Ca -0.18 -1.14 0.07 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.65 1.94 -1.46 1.61 8.01 -1.26 -2.16 117.44 123.47 1npm n TRP 141 Ca 0.00 -0.77 -0.29 0.00 -1.31 0.00 0.00 57.50 55.13 1npm n TRP 141 Cb 0.00 -0.49 0.18 0.00 -2.01 0.00 0.00 31.31 28.98 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 1.62 0.42 6.99 0.00 -1.26 -4.40 107.32 109.72 1npm s GLY 142 Ca 0.53 -0.76 -0.24 0.00 0.00 0.00 0.00 44.72 44.24 1npm s GLY 142 CO 0.15 -0.07 1.03 -0.37 0.00 0.00 0.00 173.10 173.84 1npm n THR 143 N -4.07 2.44 1.06 0.90 5.66 0.30 -3.01 114.28 117.55 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 -1.18 0.11 0.00 -1.55 0.00 0.00 70.33 68.30 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 -0.44 0.00 -4.20 1.08 0.31 -0.26 -0.43 118.33 114.39 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 0.77 -0.10 0.00 -0.91 0.00 0.00 33.84 33.99 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 -2.73 0.44 -0.21 2.52 -4.23 -1.26 -4.54 115.64 105.62 1npm s THR 145 Ca 0.16 -1.94 -0.17 0.00 -1.18 0.00 0.00 61.69 58.55 1npm s THR 145 Cb 0.18 -2.04 0.06 0.00 1.34 0.00 0.00 72.50 72.03 1npm s THR 145 CO 0.67 -0.51 0.55 -0.55 -0.54 0.00 0.00 174.62 174.23 1npm s SER 146 N -3.11 -0.62 0.00 3.99 0.15 -1.26 -4.42 113.70 108.44 1npm s SER 146 Ca 0.23 1.13 0.28 0.00 0.70 0.00 0.00 55.95 58.29 1npm s SER 146 Cb 0.07 1.10 1.26 0.00 -1.71 0.00 0.00 66.02 66.75 1npm s SER 146 CO 0.02 -0.20 1.92 -0.81 1.20 0.00 0.00 173.24 175.37 1npm n PRO 147 N 3.23 0.13 -2.01 5.44 -0.04 -1.26 -4.77 135.00 135.73 1npm n PRO 147 Ca -0.16 0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 62.91 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 -2.86 4.26 -0.28 0.54 -1.52 -1.26 -4.97 119.66 113.57 1npm s GLN 148 Ca 0.18 2.29 -0.24 0.00 -1.95 0.00 0.00 55.36 55.64 1npm s GLN 148 Cb 0.18 -3.15 -0.00 0.00 -0.22 0.00 0.00 33.01 29.82 1npm s GLN 148 CO 0.48 -0.49 0.79 -1.21 -0.25 0.00 0.00 175.29 174.61 1npm s GLU 149 N 0.43 4.07 -0.37 2.91 2.02 -1.26 -4.25 118.70 122.26 1npm s GLU 149 Ca 0.64 0.73 0.00 0.00 0.02 0.00 0.00 54.97 56.37 1npm s GLU 149 Cb -0.42 -3.69 0.13 0.00 0.10 0.00 0.00 34.13 30.25 1npm s GLU 149 CO 0.37 -0.59 0.19 -0.80 0.02 0.00 0.00 175.26 174.45 1npm s ASN 150 N 1.49 3.40 -0.30 -0.19 0.01 -1.26 -5.02 114.94 113.07 1npm s ASN 150 Ca 0.33 -2.15 -0.25 0.00 -0.71 0.00 0.00 52.86 50.09 1npm s ASN 150 Cb -0.15 -0.66 0.00 0.00 0.41 0.00 0.00 41.25 40.86 1npm s ASN 150 CO 0.10 -0.33 0.86 -0.36 -1.51 0.00 0.00 177.10 175.87 1npm s PHE 151 N 1.04 3.20 0.69 2.20 0.40 -1.26 -1.10 117.98 123.14 1npm s PHE 151 Ca 0.16 0.93 -0.13 0.00 -0.60 0.00 0.00 56.93 57.29 1npm s PHE 151 Cb -0.22 -3.32 0.01 0.00 0.51 0.00 0.00 43.02 40.00 1npm s PHE 151 CO -0.07 -0.60 1.08 -1.25 0.70 0.00 0.00 175.22 175.08 1npm s PRO 152 N 3.11 2.76 0.04 0.24 0.04 -1.26 -4.99 135.00 134.95 1npm s PRO 152 Ca 0.36 1.17 0.18 0.00 0.04 0.00 0.00 61.00 62.75 1npm s PRO 152 Cb -0.14 -1.96 -0.15 0.00 0.04 0.00 0.00 34.50 32.29 1npm s PRO 152 CO 0.13 -1.25 0.74 -1.71 0.04 0.00 0.00 177.00 174.95 1npm n ASN 153 N -2.87 0.70 -4.65 6.66 2.85 -1.26 -4.92 115.26 111.77 1npm n ASN 153 Ca 0.09 0.30 -0.28 0.00 -0.11 0.00 0.00 54.58 54.58 1npm n ASN 153 Cb 0.53 0.44 -0.08 0.00 1.24 0.00 0.00 39.78 41.91 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 -2.99 3.69 0.21 -0.44 -4.23 -1.26 -1.46 115.64 109.16 1npm s THR 154 Ca -0.04 -1.30 -0.32 0.00 -1.18 0.00 0.00 61.69 58.86 1npm s THR 154 Cb 0.09 -2.80 -0.12 0.00 1.34 0.00 0.00 72.50 71.01 1npm s THR 154 CO 0.82 -0.01 1.73 -0.11 -0.54 0.00 0.00 174.62 176.51 1npm n LEU 155 N 0.24 4.04 -4.81 4.79 7.94 -0.57 -4.83 117.00 123.79 1npm n LEU 155 Ca -0.11 1.06 -0.26 0.00 -1.11 0.00 0.00 56.01 55.59 1npm n LEU 155 Cb 0.54 -1.58 -0.05 0.00 0.53 0.00 0.00 43.42 42.85 1npm n LEU 155 CO 0.37 0.20 -0.21 0.20 -1.11 0.00 0.00 177.39 176.85 1npm s ASN 156 N 1.16 5.60 0.05 1.96 -0.87 -0.92 -1.62 114.94 120.31 1npm s ASN 156 Ca 0.75 -0.10 0.04 0.00 -1.57 0.00 0.00 52.86 51.98 1npm s ASN 156 Cb -0.50 -1.49 -0.02 0.00 -0.02 0.00 0.00 41.25 39.22 1npm s ASN 156 CO 0.33 0.07 -0.12 0.00 -2.57 0.00 0.00 177.10 174.81 1npm s ALA 158 N -1.11 -0.94 -0.17 0.00 0.00 -0.16 -1.29 121.76 118.09 1npm s ALA 158 Ca -0.03 0.59 -0.16 0.00 0.00 0.00 0.00 51.96 52.36 1npm s ALA 158 Cb -0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 1npm s ALA 158 CO 0.01 -0.26 0.41 -2.00 0.00 0.00 0.00 175.76 173.92 1npm s GLU 159 N -1.04 4.23 0.19 0.00 2.12 -1.26 -1.41 118.70 121.53 1npm s GLU 159 Ca -0.11 0.26 0.05 0.00 0.36 0.00 0.00 54.97 55.53 1npm s GLU 159 Cb -0.04 -3.49 -0.05 0.00 0.26 0.00 0.00 34.13 30.81 1npm s GLU 159 CO 0.04 0.05 -0.09 0.08 -0.54 0.00 0.00 175.26 174.81 1npm s VAL 160 N 1.02 1.30 0.06 3.70 1.01 -0.15 -4.79 120.40 122.56 1npm s VAL 160 Ca 0.21 -2.09 0.08 0.00 0.00 0.00 0.00 61.98 60.18 1npm s VAL 160 Cb -0.15 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 1npm s VAL 160 CO 0.08 -0.59 -0.23 -0.54 0.00 0.00 0.00 175.10 173.82 1npm s LYS 161 N -3.75 1.48 -0.14 2.72 1.02 0.13 -0.24 119.74 120.96 1npm s LYS 161 Ca 0.22 -1.07 -0.29 0.00 0.02 0.00 0.00 55.97 54.84 1npm s LYS 161 Cb 0.03 -1.68 -0.03 0.00 -0.52 0.00 0.00 37.83 35.63 1npm s LYS 161 CO 0.05 0.42 1.45 0.42 -0.92 0.00 0.00 175.35 176.77 1npm s ILE 162 N -0.88 3.95 0.70 2.17 -1.09 -0.55 -0.92 121.20 124.58 1npm s ILE 162 Ca 0.09 1.13 -0.10 0.00 -2.23 0.00 0.00 60.65 59.55 1npm s ILE 162 Cb -0.09 -3.78 0.03 0.00 -1.58 0.00 0.00 42.46 37.03 1npm s ILE 162 CO 0.03 -0.16 1.07 -0.31 -1.23 0.00 0.00 174.94 174.34 1npm s TYR 163 N 3.99 3.20 0.46 3.97 1.51 -0.64 -0.53 117.35 129.31 1npm s TYR 163 Ca 0.64 0.85 -0.15 0.00 -1.01 0.00 0.00 57.07 57.40 1npm s TYR 163 Cb -0.26 -3.11 -0.08 0.00 -0.11 0.00 0.00 41.96 38.41 1npm s TYR 163 CO 0.22 -1.26 0.91 -1.54 -1.11 0.00 0.00 175.55 172.77 1npm s SER 164 N -4.41 6.63 0.35 2.29 1.04 -1.26 -4.71 113.70 113.64 1npm s SER 164 Ca 0.58 1.44 0.07 0.00 0.48 0.00 0.00 55.95 58.52 1npm s SER 164 Cb -0.11 -2.45 0.67 0.00 0.10 0.00 0.00 66.02 64.23 1npm s SER 164 CO 0.49 -0.49 1.88 -0.61 0.98 0.00 0.00 173.24 175.49 1npm h GLN 165 N 1.19 0.38 -0.18 4.02 5.75 -1.97 -0.55 115.11 123.74 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 0.48 -0.62 -2.95 -2.65 0.00 0.00 178.83 173.72 1npm h ASN 166 N 0.36 0.70 0.68 -0.69 -1.07 -1.99 0.14 115.58 113.72 1npm h ASN 166 Ca 0.07 -0.40 -0.08 0.00 0.07 0.00 0.00 56.30 55.96 1npm h ASN 166 Cb 0.39 -0.20 -0.01 0.00 -2.07 0.00 0.00 38.32 36.42 1npm h ASN 166 CO 0.02 1.15 -0.39 0.50 0.07 0.00 0.00 177.43 178.78 1npm h LYS 167 N 0.46 0.00 -0.05 4.14 3.64 -1.86 -2.00 116.57 120.89 1npm h LYS 167 Ca -0.01 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 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 0.39 -0.47 0.00 -2.27 0.00 0.00 179.45 177.22 1npm h GLU 169 N -0.08 0.79 -0.08 0.00 5.08 -0.62 -2.58 114.58 117.08 1npm h GLU 169 Ca -0.05 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 57.96 1npm h GLU 169 Cb 1.15 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1npm h GLU 169 CO 0.10 0.90 -0.28 -0.09 -1.00 0.00 0.00 179.01 178.63 1npm h ARG 170 N 0.70 0.14 0.00 2.33 2.43 -1.45 -1.14 114.38 117.40 1npm h ARG 170 Ca 0.11 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 1npm h ARG 170 Cb 0.66 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1npm h ARG 170 CO 0.05 0.42 -0.38 0.00 -1.51 0.00 0.00 179.97 178.54 1npm h ALA 171 N 1.59 0.96 -1.76 2.80 0.00 -1.39 -3.36 119.26 118.10 1npm h ALA 171 Ca 0.02 -0.35 -0.49 0.00 0.00 0.00 0.00 54.91 54.09 1npm h ALA 171 Cb 0.57 -0.06 -0.36 0.00 0.00 0.00 0.00 17.79 17.93 1npm h ALA 171 CO 0.04 0.48 -1.06 0.66 0.00 0.00 0.00 179.25 179.37 1npm n TYR 172 N -3.49 -0.55 -1.51 0.00 4.01 -0.87 -4.97 117.16 109.77 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 0.53 -0.13 -0.11 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 1.04 0.00 -1.04 -0.72 -0.02 -0.48 -1.27 135.00 132.50 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 0.59 -1.46 -0.01 0.00 -0.02 0.00 0.00 33.50 32.60 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 5.28 0.43 0.00 -1.23 0.00 -1.26 -4.87 105.19 103.54 1npm n GLY 174 Ca 0.40 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.80 2.83 -3.28 1.61 5.02 -0.40 -4.99 118.16 117.16 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 0.19 -1.02 -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 -2.11 5.16 0.47 -0.18 -1.09 -1.25 -4.91 121.20 117.30 1npm s ILE 176 Ca 0.01 0.99 0.05 0.00 -2.23 0.00 0.00 60.65 59.48 1npm s ILE 176 Cb 0.07 -3.84 -0.02 0.00 -1.58 0.00 0.00 42.46 37.08 1npm s ILE 176 CO 0.38 0.29 0.17 0.42 -1.23 0.00 0.00 174.94 174.97 1npm s THR 177 N 0.83 1.79 -1.33 2.92 -4.23 -1.26 -5.02 115.64 109.34 1npm s THR 177 Ca 0.27 -1.76 0.15 0.00 -1.18 0.00 0.00 61.69 59.17 1npm s THR 177 Cb -0.15 -2.54 0.24 0.00 1.34 0.00 0.00 72.50 71.38 1npm s THR 177 CO 0.11 0.00 1.45 -1.84 -0.54 0.00 0.00 174.62 173.79 1npm n GLU 178 N -1.35 0.17 -0.88 3.99 0.00 -1.26 -2.21 120.64 119.09 1npm n GLU 178 Ca -0.07 0.16 0.07 0.00 0.00 0.00 0.00 57.16 57.33 1npm n GLU 178 Cb 0.65 -1.50 0.40 0.00 0.00 0.00 0.00 31.44 31.00 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 0.03 3.03 3.16 -1.84 0.00 -1.26 -4.92 105.19 103.38 1npm n GLY 179 Ca 0.06 -0.93 -0.14 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 -0.94 -1.33 119.30 114.62 1npm s MET 180 Ca 0.54 -1.07 -0.08 0.00 -1.71 0.00 0.00 55.69 53.38 1npm s MET 180 Cb 0.41 -0.51 0.04 0.00 2.01 0.00 0.00 34.83 36.79 1npm s MET 180 CO 0.16 0.08 0.30 0.54 -0.01 0.00 0.00 175.02 176.10 1npm s VAL 181 N -2.17 -0.03 0.34 -6.03 0.11 -0.20 -4.77 120.40 107.65 1npm s VAL 181 Ca 0.02 0.09 -0.10 0.00 -2.93 0.00 0.00 61.98 59.06 1npm s VAL 181 Cb -0.05 -0.45 -0.07 0.00 -1.53 0.00 0.00 36.38 34.28 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 -2.14 -1.11 0.00 0.00 0.00 -0.98 -1.61 121.76 115.92 1npm s ALA 183 Ca 0.50 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.96 1npm s ALA 183 Cb -0.10 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.25 1npm s ALA 183 CO 0.26 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.03 1npm n GLY 184 N 0.74 0.54 3.22 0.00 0.00 -0.10 -2.78 105.19 106.81 1npm n GLY 184 Ca -0.19 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 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 0.34 -0.18 0.46 1.61 0.15 -1.24 0.20 113.70 115.04 1npm s SER 185 Ca 0.00 0.12 0.17 0.00 0.70 0.00 0.00 55.95 56.94 1npm s SER 185 Cb 0.00 0.34 1.09 0.00 -1.71 0.00 0.00 66.02 65.74 1npm s SER 185 CO 0.00 -0.39 2.00 0.77 1.20 0.00 0.00 173.24 176.82 1npm h SER 186 N 4.14 0.00 -0.36 5.45 4.64 -1.93 -2.08 113.55 123.40 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 0.39 0.18 0.00 -0.46 -0.87 0.00 0.00 176.83 176.07 1npm n ASN 186 N -4.17 2.64 0.00 4.97 0.23 -1.26 -4.84 115.26 112.83 1npm n ASN 186 Ca -0.02 -2.18 0.00 0.00 -0.53 0.00 0.00 54.58 51.85 1npm n ASN 186 Cb 0.25 -0.39 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 0.84 0.65 3.73 4.83 0.00 -0.78 -4.93 105.19 109.53 1npm n GLY 187 Ca 0.14 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 -2.08 3.75 0.15 4.61 0.00 -1.26 -4.32 121.76 122.61 1npm s ALA 188 Ca 0.00 1.43 -0.24 0.00 0.00 0.00 0.00 51.96 53.15 1npm s ALA 188 Cb 0.00 -3.62 0.06 0.00 0.00 0.00 0.00 23.12 19.57 1npm s ALA 188 CO 0.00 -0.83 0.72 0.34 0.00 0.00 0.00 175.76 175.99 1npm s ASP 189 N 0.79 -0.42 0.47 0.00 2.15 -1.15 -3.67 116.67 114.84 1npm s ASP 189 Ca 0.66 -0.18 -0.03 0.00 0.43 0.00 0.00 52.55 53.44 1npm s ASP 189 Cb -0.45 0.58 -0.02 0.00 -0.30 0.00 0.00 42.92 42.73 1npm s ASP 189 CO 0.38 -0.98 0.73 0.42 -0.17 0.00 0.00 175.17 175.55 1npm s THR 190 N -3.62 4.38 0.00 1.71 -4.23 -1.26 -1.20 115.64 111.42 1npm s THR 190 Ca 0.05 -0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 1npm s THR 190 Cb -0.02 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.17 1npm s THR 190 CO -0.06 -0.55 0.00 0.00 -0.54 0.00 0.00 174.62 173.47 1npm n GLN 192 N 0.00 0.66 0.00 0.00 -0.06 -1.26 -1.08 117.38 115.64 1npm n GLN 192 Ca 0.00 0.24 0.00 0.00 -2.00 0.00 0.00 57.00 55.24 1npm n GLN 192 Cb 0.00 -1.85 0.00 0.00 -4.06 0.00 0.00 30.24 24.33 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 4.26 2.24 0.14 1.69 0.00 -1.26 -0.54 105.19 111.72 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 -2.01 1.61 3.32 -1.45 -3.30 116.42 114.60 1npm h ASP 194 Ca 0.00 -0.04 -0.63 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 -0.00 -1.20 -1.72 0.00 0.00 179.24 176.34 1npm n SER 195 N -2.65 0.69 0.00 6.45 7.64 -1.26 -1.44 113.62 123.06 1npm n SER 195 Ca 0.02 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.07 1npm n SER 195 Cb 0.51 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 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 1.55 2.27 3.49 0.23 0.00 0.61 0.32 105.19 113.66 1npm n GLY 196 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.41 3.87 -0.02 0.00 -0.52 -3.60 105.19 100.50 1npm n GLY 197 Ca 0.00 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 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 -5.52 3.85 -0.30 1.61 0.04 -1.26 -1.44 135.00 131.97 1npm s PRO 198 Ca 0.70 0.47 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1npm s PRO 198 Cb -0.05 -2.47 0.09 0.00 0.04 0.00 0.00 34.50 32.11 1npm s PRO 198 CO 0.52 0.11 0.06 -1.17 0.04 0.00 0.00 177.00 176.56 1npm s LEU 199 N -3.36 2.82 -0.17 -3.56 0.20 -0.83 -3.91 118.68 109.88 1npm s LEU 199 Ca 0.51 -1.65 -0.02 0.00 0.69 0.00 0.00 54.13 53.66 1npm s LEU 199 Cb -0.10 -1.07 -0.01 0.00 -0.43 0.00 0.00 46.19 44.57 1npm s LEU 199 CO 0.25 -0.38 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.15 1npm s VAL 200 N 1.43 3.26 -0.12 1.68 1.01 -0.61 -1.18 120.40 125.87 1npm s VAL 200 Ca 0.07 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1npm s VAL 200 Cb -0.18 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.80 1npm s VAL 200 CO -0.18 0.49 -0.12 0.00 0.00 0.00 0.00 175.10 175.29 1npm n ASP 202 N 4.64 -1.76 0.00 0.00 8.00 -1.26 -2.03 116.55 124.14 1npm n ASP 202 Ca -0.16 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.53 1npm n ASP 202 Cb 0.50 -4.18 0.00 0.00 -0.02 0.00 0.00 41.12 37.43 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 -1.52 0.31 3.20 0.44 0.00 -1.26 -4.99 105.19 101.37 1npm n GLY 203 Ca -0.28 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.89 1.05 -0.46 1.61 -1.94 -0.86 -4.47 119.30 113.34 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 -1.13 0.01 0.00 2.01 0.00 0.00 34.83 35.72 1npm s MET 208 CO 0.00 0.27 1.44 -1.17 -0.01 0.00 0.00 175.02 175.55 1npm s LEU 209 N -1.39 3.52 -0.09 -0.03 2.96 -0.24 -1.01 118.68 122.40 1npm s LEU 209 Ca 0.03 0.67 0.20 0.00 -0.22 0.00 0.00 54.13 54.82 1npm s LEU 209 Cb -0.09 -3.38 -0.30 0.00 0.50 0.00 0.00 46.19 42.92 1npm s LEU 209 CO 0.02 -1.55 0.33 0.00 -1.32 0.00 0.00 176.35 173.83 1npm n GLN 210 N 8.29 0.68 -3.90 1.98 1.13 -0.32 -2.00 117.38 123.23 1npm n GLN 210 Ca 0.16 -0.13 -0.08 0.00 -1.94 0.00 0.00 57.00 55.01 1npm n GLN 210 Cb 0.48 -1.51 -0.03 0.00 0.11 0.00 0.00 30.24 29.29 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 -4.85 0.15 -0.18 1.08 0.00 -0.93 -1.70 107.32 100.89 1npm s GLY 211 Ca -0.09 -0.52 0.01 0.00 0.00 0.00 0.00 44.72 44.12 1npm s GLY 211 CO 0.87 -0.31 -0.11 -0.42 0.00 0.00 0.00 173.10 173.13 1npm s ILE 212 N -3.95 1.60 -0.05 0.90 -1.09 -0.91 -1.96 121.20 115.73 1npm s ILE 212 Ca 0.15 -0.86 -0.33 0.00 -2.23 0.00 0.00 60.65 57.39 1npm s ILE 212 Cb -0.04 -1.62 -0.11 0.00 -1.58 0.00 0.00 42.46 39.12 1npm s ILE 212 CO 0.07 0.27 1.93 0.35 -1.23 0.00 0.00 174.94 176.33 1npm n THR 213 N 4.72 0.64 0.00 2.92 -2.24 -0.52 -1.16 114.28 118.64 1npm n THR 213 Ca -0.15 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1npm n THR 213 Cb 0.48 -2.05 0.00 0.00 -2.10 0.00 0.00 70.33 66.65 1npm n THR 213 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1npm n SER 214 N 7.18 0.00 -3.15 3.42 2.88 -0.87 -0.28 113.62 122.79 1npm n SER 214 Ca 0.22 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.58 1npm n SER 214 Cb 0.34 -0.30 -0.07 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 -2.26 -0.94 -2.14 0.66 4.27 -1.07 -4.83 117.44 111.12 1npm n TRP 215 Ca 0.00 -2.67 0.00 0.00 -3.89 0.00 0.00 57.50 50.94 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 -0.61 2.19 3.97 -1.67 0.00 -1.26 -0.50 105.19 107.31 1npm n GLY 216 Ca 0.06 -0.61 -0.21 0.00 0.00 0.00 0.00 46.02 45.25 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 5.01 -0.11 1.61 0.15 -1.26 -4.99 113.70 116.11 1npm s SER 217 Ca 0.00 -0.91 -0.02 0.00 0.70 0.00 0.00 55.95 55.72 1npm s SER 217 Cb 0.00 0.13 0.04 0.00 -1.71 0.00 0.00 66.02 64.48 1npm s SER 217 CO 0.00 -1.13 0.03 -0.62 1.20 0.00 0.00 173.24 172.73 1npm s ASP 218 N -4.45 1.96 0.73 5.45 2.15 -1.26 -3.59 116.67 117.66 1npm s ASP 218 Ca 0.51 -0.32 -0.12 0.00 0.43 0.00 0.00 52.55 53.05 1npm s ASP 218 Cb -0.05 -0.40 0.03 0.00 -0.30 0.00 0.00 42.92 42.20 1npm s ASP 218 CO 0.32 -0.25 1.11 -2.16 -0.17 0.00 0.00 175.17 174.02 1npm s PRO 219 N 2.00 2.65 0.72 4.34 0.04 -1.26 -5.12 135.00 138.36 1npm s PRO 219 Ca 0.03 0.40 -0.11 0.00 0.04 0.00 0.00 61.00 61.36 1npm s PRO 219 Cb -0.14 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.42 1npm s PRO 219 CO -0.06 -1.17 1.08 0.00 0.04 0.00 0.00 177.00 176.89 1npm n GLY 220 N -2.63 0.64 3.28 0.00 0.00 -1.26 -4.76 105.19 100.45 1npm n GLY 220 Ca 0.07 -0.73 -0.37 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 -1.75 2.69 0.43 1.61 -0.14 -1.26 -4.55 119.74 116.77 1npm s LYS 221 Ca 0.00 -1.13 0.26 0.00 -1.36 0.00 0.00 55.97 53.74 1npm s LYS 221 Cb 0.00 -3.42 1.31 0.00 -1.68 0.00 0.00 37.83 34.04 1npm s LYS 221 CO 0.00 -0.62 1.70 -1.35 -0.76 0.00 0.00 175.35 174.32 1npm h PRO 222 N 8.20 0.20 0.00 -1.68 0.11 -1.89 0.22 132.00 137.16 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 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1npm h PRO 222 CO 0.60 0.13 0.00 1.05 -0.21 0.00 0.00 178.00 179.57 1npm h GLU 223 N 0.20 0.00 -2.17 1.05 9.09 -1.94 -3.34 114.58 117.47 1npm h GLU 223 Ca 0.71 0.00 -0.59 0.00 0.05 0.00 0.00 59.36 59.53 1npm h GLU 223 Cb 2.14 0.00 -0.42 0.00 -1.65 0.00 0.00 28.75 28.82 1npm h GLU 223 CO -0.33 0.00 -0.68 1.63 0.05 0.00 0.00 179.01 179.68 1npm n LYS 224 N -2.74 2.30 -0.88 1.06 4.76 0.76 -4.71 118.16 118.71 1npm n LYS 224 Ca 0.05 -4.46 -0.30 0.00 -2.87 0.00 0.00 58.31 50.73 1npm n LYS 224 Cb 0.48 -2.09 0.16 0.00 -1.84 0.00 0.00 35.03 31.74 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 -2.37 0.94 0.33 1.97 0.04 -1.21 -4.43 135.00 130.27 1npm s PRO 225 Ca 0.40 1.19 -0.26 0.00 0.04 0.00 0.00 61.00 62.37 1npm s PRO 225 Cb 0.17 -1.74 -0.10 0.00 0.04 0.00 0.00 34.50 32.87 1npm s PRO 225 CO -0.04 -2.57 0.99 0.20 0.04 0.00 0.00 177.00 175.62 1npm s GLY 226 N -2.94 2.85 -0.11 0.56 0.00 -1.12 -4.54 107.32 102.02 1npm s GLY 226 Ca 0.65 0.62 -0.05 0.00 0.00 0.00 0.00 44.72 45.94 1npm s GLY 226 CO 0.59 1.09 0.10 0.14 0.00 0.00 0.00 173.10 175.02 1npm s VAL 227 N -1.53 5.15 0.06 1.40 1.01 0.34 -2.31 120.40 124.53 1npm s VAL 227 Ca 0.51 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.61 1npm s VAL 227 Cb -0.22 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1npm s VAL 227 CO 0.28 0.60 -0.20 -0.31 0.00 0.00 0.00 175.10 175.47 1npm s TYR 228 N -1.00 1.71 -0.31 5.22 1.51 0.06 -2.05 117.35 122.49 1npm s TYR 228 Ca 0.15 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.53 1npm s TYR 228 Cb -0.12 -0.98 0.00 0.00 -0.11 0.00 0.00 41.96 40.75 1npm s TYR 228 CO 0.04 0.12 1.25 0.99 -1.11 0.00 0.00 175.55 176.84 1npm s THR 229 N -0.95 4.21 -0.25 -0.71 2.01 -0.31 -1.04 115.64 118.61 1npm s THR 229 Ca 0.06 1.38 -0.29 0.00 0.31 0.00 0.00 61.69 63.15 1npm s THR 229 Cb -0.09 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 1npm s THR 229 CO 0.03 -0.49 1.83 -0.75 -0.69 0.00 0.00 174.62 174.54 1npm s LYS 230 N 4.07 3.51 0.21 4.92 2.20 -0.44 -2.14 119.74 132.06 1npm s LYS 230 Ca 0.54 1.70 -0.09 0.00 -0.36 0.00 0.00 55.97 57.76 1npm s LYS 230 Cb -0.16 -4.17 0.16 0.00 -1.51 0.00 0.00 37.83 32.16 1npm s LYS 230 CO 0.22 -1.65 1.85 0.82 -0.36 0.00 0.00 175.35 176.23 1npm h ILE 231 N 6.57 1.22 -0.60 5.43 1.08 -1.63 -3.02 117.51 126.55 1npm h ILE 231 Ca -0.36 -0.49 0.17 0.00 -0.39 0.00 0.00 64.86 63.79 1npm h ILE 231 Cb 1.18 0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 35.03 1npm h ILE 231 CO 1.00 0.23 0.46 0.00 -0.69 0.00 0.00 178.15 179.16 1npm h ARG 233 N 0.00 0.00 -0.19 0.00 1.12 -1.88 -3.34 114.38 110.10 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 1.21 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.17 1npm h ARG 233 CO -0.00 0.57 0.00 0.66 -3.11 0.00 0.00 179.97 178.09 1npm n TYR 234 N -3.41 0.24 0.19 2.20 4.01 0.26 -4.63 117.16 116.01 1npm n TYR 234 Ca 0.01 -0.23 0.12 0.00 -0.16 0.00 0.00 57.90 57.64 1npm n TYR 234 Cb 0.69 -0.01 0.69 0.00 -0.31 0.00 0.00 39.34 40.39 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 2.34 0.86 -0.02 -0.72 1.35 -1.48 -0.85 112.91 114.40 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 0.63 0.92 -0.00 0.00 -1.73 0.00 0.00 68.15 67.97 1npm h THR 235 CO 0.00 0.00 -0.00 0.74 -0.25 0.00 0.00 175.52 176.01 1npm h THR 236 N 0.00 1.29 -0.38 6.82 2.02 -1.87 -2.09 112.91 118.70 1npm h THR 236 Ca 0.07 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 1npm h THR 236 Cb 0.29 1.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1npm h THR 236 CO -0.00 0.23 0.21 -0.25 0.37 0.00 0.00 175.52 176.08 1npm h TRP 237 N -0.30 0.51 -0.08 3.16 7.01 -1.73 -2.00 115.95 122.51 1npm h TRP 237 Ca 0.01 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.04 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 0.39 -0.23 0.82 -2.79 0.00 0.00 178.44 176.68 1npm h ILE 238 N 0.48 0.45 -0.33 2.65 2.04 -1.14 -2.17 117.51 119.50 1npm h ILE 238 Ca 0.13 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.94 1npm h ILE 238 Cb 0.04 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1npm h ILE 238 CO -0.02 0.00 0.00 0.11 0.00 0.00 0.00 178.15 178.24 1npm h LYS 239 N -0.32 0.57 -0.90 2.37 1.57 -1.32 -2.79 116.57 115.77 1npm h LYS 239 Ca 0.08 -0.18 0.15 0.00 -1.87 0.00 0.00 60.65 58.83 1npm h LYS 239 Cb 0.44 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.62 1npm h LYS 239 CO -0.26 0.70 0.58 -0.22 -0.57 0.00 0.00 179.45 179.67 1npm h LYS 240 N 0.38 0.66 -0.05 3.15 1.63 -1.18 -0.62 116.57 120.53 1npm h LYS 240 Ca 0.09 -0.04 -0.21 0.00 -0.85 0.00 0.00 60.65 59.65 1npm h LYS 240 Cb 0.44 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1npm h LYS 240 CO 0.02 0.43 -0.82 1.15 -3.45 0.00 0.00 179.45 176.78 1npm h THR 241 N 0.68 1.37 -0.01 1.00 2.02 -1.27 -3.30 112.91 113.40 1npm h THR 241 Ca 0.45 -2.24 -0.26 0.00 0.77 0.00 0.00 66.41 65.12 1npm h THR 241 Cb 0.75 2.22 0.02 0.00 -1.74 0.00 0.00 68.15 69.41 1npm h THR 241 CO -0.21 0.68 -1.02 0.24 0.37 0.00 0.00 175.52 175.57 1npm h MET 242 N 0.29 0.71 -0.01 6.66 2.86 -1.04 -3.52 114.93 120.88 1npm h MET 242 Ca -0.05 -0.75 0.00 0.00 -2.06 0.00 0.00 59.70 56.84 1npm h MET 242 Cb 1.43 0.21 0.00 0.00 0.06 0.00 0.00 31.60 33.30 1npm h MET 242 CO 0.15 1.32 0.00 -0.25 1.06 0.00 0.00 176.91 179.19