#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1g n ARG 3 N 0.00 1.50 0.00 1.61 1.85 -1.26 -4.87 116.66 115.49 3f1g n ARG 3 Ca 0.00 0.00 0.13 0.00 -1.00 0.00 0.00 57.85 56.98 3f1g n ARG 3 Cb 0.00 0.00 0.66 0.00 -1.05 0.00 0.00 32.46 32.07 3f1g n ARG 3 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3f1g n TYR 4 N -0.45 0.00 0.00 2.89 4.01 -1.26 -4.85 117.16 117.50 3f1g n TYR 4 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3f1g n TYR 4 Cb 0.00 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 38.67 3f1g n TYR 4 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3f1g n ILE 5 N -1.36 0.00 -1.16 -0.72 2.08 -1.26 -4.59 119.36 112.34 3f1g n ILE 5 Ca 0.11 0.00 -0.37 0.00 0.56 0.00 0.00 62.75 63.05 3f1g n ILE 5 Cb 0.25 0.00 0.04 0.00 -0.75 0.00 0.00 39.64 39.18 3f1g n ILE 5 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3f1g n GLY 6 N 0.00 -3.13 0.32 7.39 0.00 -1.26 -4.68 105.19 103.83 3f1g n GLY 6 Ca 0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 46.02 45.53 3f1g n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3f1g n PRO 7 N 1.05 0.00 -0.14 1.61 -0.02 -1.26 -4.97 135.00 131.28 3f1g n PRO 7 Ca 0.06 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.25 3f1g n PRO 7 Cb 0.51 -0.11 -0.10 0.00 -0.02 0.00 0.00 33.50 33.78 3f1g n PRO 7 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3f1g n VAL 8 N 0.06 1.53 0.68 -1.45 0.24 -1.26 -4.47 118.33 113.65 3f1g n VAL 8 Ca 0.02 -0.34 0.03 0.00 -2.04 0.00 0.00 64.34 62.00 3f1g n VAL 8 Cb 0.02 -1.92 0.17 0.00 -1.47 0.00 0.00 33.84 30.64 3f1g n VAL 8 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3f1g n ARG 10 N -0.77 0.13 -0.04 0.00 1.85 -1.26 -3.91 116.66 112.66 3f1g n ARG 10 Ca 0.04 0.04 -0.20 0.00 -1.00 0.00 0.00 57.85 56.73 3f1g n ARG 10 Cb 0.02 -1.58 -0.13 0.00 -1.05 0.00 0.00 32.46 29.72 3f1g n ARG 10 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3f1g n LEU 11 N -1.77 2.75 -0.53 2.89 4.77 -0.42 -2.16 117.00 122.54 3f1g n LEU 11 Ca 0.05 0.09 0.42 0.00 -0.03 0.00 0.00 56.01 56.54 3f1g n LEU 11 Cb 0.38 -1.05 0.68 0.00 -2.33 0.00 0.00 43.42 41.11 3f1g n LEU 11 CO 0.35 0.88 1.24 0.00 -1.33 0.00 0.00 177.39 178.53 3f1g n ARG 13 N -4.30 0.64 0.09 0.00 0.63 -1.22 -3.10 116.66 109.41 3f1g n ARG 13 Ca 0.39 0.14 -0.22 0.00 -0.92 0.00 0.00 57.85 57.24 3f1g n ARG 13 Cb 1.63 -1.71 -0.15 0.00 0.45 0.00 0.00 32.46 32.68 3f1g n ARG 13 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 3f1g h ARG 14 N 0.00 0.40 0.00 -0.14 9.65 -0.17 -2.92 114.38 121.19 3f1g h ARG 14 Ca -0.27 -0.68 -0.11 0.00 -1.10 0.00 0.00 59.98 57.82 3f1g h ARG 14 Cb 1.78 0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 30.60 3f1g h ARG 14 CO 0.04 1.33 -0.54 0.93 2.80 0.00 0.00 179.97 184.53 3f1g h GLU 15 N -0.13 0.00 0.00 0.20 3.07 -1.43 -3.46 114.58 112.84 3f1g h GLU 15 Ca -0.22 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.64 3f1g h GLU 15 Cb 1.90 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.81 3f1g h GLU 15 CO 0.19 0.54 0.00 0.41 -1.40 0.00 0.00 179.01 178.76 3f1g n GLY 16 N 0.06 1.09 3.58 -3.84 0.00 -1.18 -5.03 105.19 99.87 3f1g n GLY 16 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3f1g n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1g s VAL 17 N -3.35 3.48 -0.03 1.61 1.01 -1.24 -5.02 120.40 116.86 3f1g s VAL 17 Ca 0.00 -1.06 -0.34 0.00 0.00 0.00 0.00 61.98 60.59 3f1g s VAL 17 Cb 0.00 -2.58 -0.12 0.00 0.00 0.00 0.00 36.38 33.69 3f1g s VAL 17 CO 0.00 0.23 1.85 0.29 0.00 0.00 0.00 175.10 177.47 3f1g n LYS 18 N 1.07 2.27 -3.69 2.72 5.02 -1.26 -4.56 118.16 119.72 3f1g n LYS 18 Ca -0.14 0.83 -0.39 0.00 -2.02 0.00 0.00 58.31 56.59 3f1g n LYS 18 Cb 0.52 -2.68 -0.12 0.00 -0.02 0.00 0.00 35.03 32.74 3f1g n LYS 18 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3f1g s LEU 19 N 3.60 4.27 -0.80 -0.35 1.43 -1.26 -5.01 118.68 120.56 3f1g s LEU 19 Ca 0.90 -0.88 -0.06 0.00 -1.03 0.00 0.00 54.13 53.06 3f1g s LEU 19 Cb -0.66 -1.94 -0.06 0.00 0.03 0.00 0.00 46.19 43.56 3f1g s LEU 19 CO 0.48 -0.29 3.00 -1.22 0.23 0.00 0.00 176.35 178.55 3f1g n TYR 20 N 4.91 1.54 -0.65 0.29 4.02 -1.26 -4.37 117.16 121.64 3f1g n TYR 20 Ca -0.13 -2.28 0.09 0.00 -0.01 0.00 0.00 57.90 55.57 3f1g n TYR 20 Cb 0.47 -1.82 0.36 0.00 -0.02 0.00 0.00 39.34 38.32 3f1g n TYR 20 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 176.86 177.32 3f1g n LEU 21 N 2.21 4.81 -4.85 7.72 -0.00 -1.26 -4.84 117.00 120.80 3f1g n LEU 21 Ca 0.58 -2.49 -0.27 0.00 -0.00 0.00 0.00 56.01 53.83 3f1g n LEU 21 Cb 0.52 -0.58 -0.03 0.00 -0.00 0.00 0.00 43.42 43.32 3f1g n LEU 21 CO 0.47 0.80 -0.05 -0.54 -0.00 0.00 0.00 177.39 178.08 3f1g s LYS 22 N -1.92 2.25 0.00 1.47 -0.14 -1.26 -4.79 119.74 115.36 3f1g s LYS 22 Ca 0.51 -2.04 0.00 0.00 -1.36 0.00 0.00 55.97 53.08 3f1g s LYS 22 Cb 0.33 -1.99 0.00 0.00 -1.68 0.00 0.00 37.83 34.50 3f1g s LYS 22 CO 0.24 -0.46 0.00 0.41 -0.76 0.00 0.00 175.35 174.78 3f1g n GLY 23 N -1.57 1.02 0.32 -3.33 0.00 -1.26 -4.71 105.19 95.66 3f1g n GLY 23 Ca -0.05 -0.71 0.16 0.00 0.00 0.00 0.00 46.02 45.43 3f1g n GLY 23 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3f1g h GLU 24 N 0.00 0.11 -0.25 1.61 4.81 -2.00 -2.80 114.58 116.06 3f1g h GLU 24 Ca 0.00 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 3f1g h GLU 24 Cb 0.00 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.29 3f1g h GLU 24 CO 0.00 0.07 -0.16 -0.09 -0.73 0.00 0.00 179.01 178.10 3f1g h ARG 25 N 0.11 -0.14 0.00 1.92 2.43 -1.92 0.12 114.38 116.90 3f1g h ARG 25 Ca 0.61 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.79 3f1g h ARG 25 Cb 1.31 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 3f1g h ARG 25 CO -0.76 -0.09 0.06 0.00 -1.51 0.00 0.00 179.97 177.66 3f1g n TYR 27 N -2.89 0.31 -0.19 0.00 4.02 0.23 -4.40 117.16 114.24 3f1g n TYR 27 Ca -0.03 0.09 -0.26 0.00 -0.01 0.00 0.00 57.90 57.69 3f1g n TYR 27 Cb 0.12 -0.57 0.25 0.00 -0.02 0.00 0.00 39.34 39.13 3f1g n TYR 27 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3f1g n SER 28 N -2.24 -3.90 -2.16 7.72 7.64 0.27 -4.82 113.62 116.12 3f1g n SER 28 Ca -0.01 -0.75 -0.17 0.00 1.01 0.00 0.00 58.87 58.94 3f1g n SER 28 Cb 0.52 -0.85 -0.12 0.00 -1.01 0.00 0.00 64.21 62.74 3f1g n SER 28 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3f1g n PRO 29 N -5.28 2.11 0.00 1.43 -0.04 -1.26 -4.40 135.00 127.56 3f1g n PRO 29 Ca 0.12 -1.48 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 3f1g n PRO 29 Cb 0.52 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 3f1g n PRO 29 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3f1g n LYS 30 N 1.81 0.00 0.00 0.54 2.85 -1.26 -4.78 118.16 117.32 3f1g n LYS 30 Ca 0.43 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.69 3f1g n LYS 30 Cb 0.76 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.14 3f1g n LYS 30 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3f1g n ALA 32 N 0.15 0.00 0.08 0.00 0.00 -1.26 -4.56 120.51 114.91 3f1g n ALA 32 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3f1g n ALA 32 Cb 0.16 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.13 3f1g n ALA 32 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3f1g h MET 33 N 0.00 0.32 -0.67 0.00 1.85 -1.81 -2.64 114.93 111.98 3f1g h MET 33 Ca 0.00 -0.02 -0.03 0.00 -0.61 0.00 0.00 59.70 59.04 3f1g h MET 33 Cb 0.00 -0.07 -0.03 0.00 0.43 0.00 0.00 31.60 31.93 3f1g h MET 33 CO 0.00 0.21 0.31 1.49 -0.40 0.00 0.00 176.91 178.53 3f1g h GLU 34 N 0.33 0.95 0.00 0.39 4.57 -1.87 -2.70 114.58 116.26 3f1g h GLU 34 Ca 0.12 -0.13 -0.22 0.00 -1.18 0.00 0.00 59.36 57.94 3f1g h GLU 34 Cb 0.07 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.44 3f1g h GLU 34 CO -0.03 0.74 -1.22 0.00 -1.18 0.00 0.00 179.01 177.32 3f1g h ARG 35 N 0.95 0.00 -3.05 1.92 3.08 -1.78 -3.43 114.38 112.07 3f1g h ARG 35 Ca 0.23 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.73 3f1g h ARG 35 Cb 0.11 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.76 3f1g h ARG 35 CO -0.03 0.72 -0.78 1.03 -1.07 0.00 0.00 179.97 179.84 3f1g s ARG 36 N -2.72 0.43 -0.11 0.04 0.52 -1.03 -5.02 118.95 111.07 3f1g s ARG 36 Ca -0.01 -0.82 0.00 0.00 -0.52 0.00 0.00 55.73 54.38 3f1g s ARG 36 Cb 0.09 -1.50 0.12 0.00 0.52 0.00 0.00 34.95 34.18 3f1g s ARG 36 CO 0.81 -1.03 1.46 -2.30 0.02 0.00 0.00 175.30 174.27 3f1g n PRO 37 N 4.97 1.28 -3.81 3.54 -0.02 -1.11 -4.39 135.00 135.46 3f1g n PRO 37 Ca -0.03 -0.63 -0.12 0.00 -2.02 0.00 0.00 63.50 60.70 3f1g n PRO 37 Cb 0.41 -1.25 -0.09 0.00 -0.02 0.00 0.00 33.50 32.56 3f1g n PRO 37 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3f1g s TYR 38 N -0.70 -0.07 0.91 6.00 -0.85 -1.26 -4.97 117.35 116.40 3f1g s TYR 38 Ca 0.12 0.05 -0.15 0.00 -0.52 0.00 0.00 57.07 56.57 3f1g s TYR 38 Cb 0.10 0.03 -0.06 0.00 0.38 0.00 0.00 41.96 42.41 3f1g s TYR 38 CO 0.01 -0.36 -0.07 -2.30 -1.52 0.00 0.00 175.55 171.31 3f1g n PRO 39 N 1.25 -0.08 -0.74 -3.49 -0.02 -1.10 -4.83 135.00 125.99 3f1g n PRO 39 Ca -0.22 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 60.98 3f1g n PRO 39 Cb 0.56 -1.47 0.24 0.00 -0.02 0.00 0.00 33.50 32.81 3f1g n PRO 39 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3f1g s PRO 40 N -2.73 -1.16 0.00 0.52 0.02 -1.26 -4.33 135.00 126.06 3f1g s PRO 40 Ca 0.52 0.44 0.00 0.00 0.02 0.00 0.00 61.00 61.98 3f1g s PRO 40 Cb -0.24 -1.56 0.00 0.00 0.02 0.00 0.00 34.50 32.73 3f1g s PRO 40 CO 0.72 -3.78 0.00 0.41 -0.33 0.00 0.00 177.00 174.02 3f1g n GLY 41 N 0.20 -1.39 0.32 0.52 0.00 -1.26 -3.90 105.19 99.67 3f1g n GLY 41 Ca 0.07 -1.58 0.19 0.00 0.00 0.00 0.00 46.02 44.69 3f1g n GLY 41 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3f1g h GLN 42 N 0.00 0.00 0.00 1.61 4.15 -2.05 -3.30 115.11 115.52 3f1g h GLN 42 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3f1g h GLN 42 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3f1g h GLN 42 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 178.83 177.62 3f1g n HIS 43 N -2.90 0.00 0.00 3.99 8.25 -1.26 -4.89 115.22 118.41 3f1g n HIS 43 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3f1g n HIS 43 Cb 0.19 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.30 3f1g n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3f1g n GLY 44 N 1.60 -0.18 2.56 -1.41 0.00 -1.25 -3.44 105.19 103.06 3f1g n GLY 44 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3f1g n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1g n GLN 45 N 0.00 4.74 -4.26 1.61 10.64 -1.26 -4.33 117.38 124.52 3f1g n GLN 45 Ca 0.00 -3.78 -0.14 0.00 -1.83 0.00 0.00 57.00 51.25 3f1g n GLN 45 Cb 0.00 -2.61 -0.10 0.00 -0.86 0.00 0.00 30.24 26.67 3f1g n GLN 45 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 3f1g s LYS 46 N -1.85 1.11 -0.63 2.61 1.02 -1.22 -5.06 119.74 115.72 3f1g s LYS 46 Ca 0.49 -1.51 -0.30 0.00 0.02 0.00 0.00 55.97 54.67 3f1g s LYS 46 Cb 0.18 -0.51 -0.13 0.00 -0.52 0.00 0.00 37.83 36.84 3f1g s LYS 46 CO -0.09 -0.01 2.46 -2.13 -0.92 0.00 0.00 175.35 174.66 3f1g n ARG 47 N -0.24 0.70 -1.92 1.68 3.00 -1.26 -4.86 116.66 113.76 3f1g n ARG 47 Ca -0.09 0.06 -0.41 0.00 -0.00 0.00 0.00 57.85 57.42 3f1g n ARG 47 Cb 0.62 -2.56 -0.01 0.00 0.00 0.00 0.00 32.46 30.50 3f1g n ARG 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3f1g s ALA 48 N 10.02 3.61 0.30 5.13 0.00 -1.26 -5.01 121.76 134.55 3f1g s ALA 48 Ca 1.14 1.44 -0.01 0.00 0.00 0.00 0.00 51.96 54.53 3f1g s ALA 48 Cb -0.70 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 18.81 3f1g s ALA 48 CO 0.39 -0.87 0.51 1.03 0.00 0.00 0.00 175.76 176.82 3f1g s ARG 49 N -1.19 3.52 0.05 0.00 1.81 -1.26 -5.04 118.95 116.84 3f1g s ARG 49 Ca 0.56 -0.29 -0.30 0.00 -1.72 0.00 0.00 55.73 53.98 3f1g s ARG 49 Cb -0.44 -2.71 -0.09 0.00 -0.45 0.00 0.00 34.95 31.26 3f1g s ARG 49 CO 0.52 0.22 1.90 1.03 -0.68 0.00 0.00 175.30 178.30 3f1g s ARG 50 N -3.96 4.15 0.27 3.54 1.81 -1.26 -4.95 118.95 118.55 3f1g s ARG 50 Ca 0.40 2.57 -0.29 0.00 -1.72 0.00 0.00 55.73 56.68 3f1g s ARG 50 Cb -0.10 -4.01 -0.09 0.00 -0.45 0.00 0.00 34.95 30.29 3f1g s ARG 50 CO 0.33 -0.92 1.09 -2.14 -0.68 0.00 0.00 175.30 172.98 3f1g s PRO 51 N 4.01 4.66 0.67 3.54 0.02 -1.26 -5.02 135.00 141.62 3f1g s PRO 51 Ca 0.85 1.78 -0.17 0.00 0.02 0.00 0.00 61.00 63.48 3f1g s PRO 51 Cb -0.43 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 30.90 3f1g s PRO 51 CO 0.39 0.24 1.21 -1.54 -0.33 0.00 0.00 177.00 176.96 3f1g s SER 52 N -0.89 4.67 0.31 2.53 1.04 -1.26 -4.76 113.70 115.35 3f1g s SER 52 Ca 0.44 2.36 0.07 0.00 0.48 0.00 0.00 55.95 59.30 3f1g s SER 52 Cb -0.31 -2.59 0.81 0.00 0.10 0.00 0.00 66.02 64.02 3f1g s SER 52 CO 0.40 -1.94 1.74 0.44 0.98 0.00 0.00 173.24 174.86 3f1g h ASP 53 N 0.23 0.66 0.54 7.02 5.19 -1.99 0.88 116.42 128.94 3f1g h ASP 53 Ca -0.49 0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.03 3f1g h ASP 53 Cb 1.30 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.82 3f1g h ASP 53 CO 0.52 0.15 -0.41 0.22 -3.12 0.00 0.00 179.24 176.60 3f1g h TYR 54 N 0.62 -1.10 -0.93 4.55 3.20 -1.98 -0.12 116.97 121.20 3f1g h TYR 54 Ca 0.61 -0.00 0.21 0.00 3.14 0.00 0.00 58.73 62.68 3f1g h TYR 54 Cb 1.08 0.41 -0.18 0.00 1.54 0.00 0.00 36.73 39.59 3f1g h TYR 54 CO -0.03 -0.57 -0.15 0.00 -1.64 0.00 0.00 178.16 175.77 3f1g h ALA 55 N -1.20 0.76 0.45 1.82 0.00 -1.25 1.52 119.26 121.35 3f1g h ALA 55 Ca -0.07 0.35 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3f1g h ALA 55 Cb 0.75 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3f1g h ALA 55 CO 0.02 -0.43 -0.22 0.28 0.00 0.00 0.00 179.25 178.90 3f1g h VAL 56 N 0.01 0.53 -0.88 0.00 2.07 -0.84 0.13 116.25 117.27 3f1g h VAL 56 Ca 0.48 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 67.79 3f1g h VAL 56 Cb 0.81 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 3f1g h VAL 56 CO -0.93 0.05 0.55 0.03 0.02 0.00 0.00 177.57 177.29 3f1g h ARG 57 N -0.78 0.98 0.62 1.57 -0.00 0.97 -2.18 114.38 115.56 3f1g h ARG 57 Ca -0.06 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.98 59.33 3f1g h ARG 57 Cb 0.54 -0.22 0.00 0.00 0.00 0.00 0.00 29.97 30.30 3f1g h ARG 57 CO 0.10 0.65 -0.35 1.25 0.00 0.00 0.00 179.97 181.62 3f1g h LEU 58 N 1.01 -0.86 -0.85 3.04 6.46 0.23 -2.82 115.31 121.52 3f1g h LEU 58 Ca 0.38 0.04 0.15 0.00 -0.12 0.00 0.00 57.88 58.34 3f1g h LEU 58 Cb 0.17 0.24 -0.15 0.00 -0.73 0.00 0.00 40.66 40.19 3f1g h LEU 58 CO -0.17 -0.55 -0.29 0.03 -0.62 0.00 0.00 178.44 176.84 3f1g h ARG 59 N -0.89 -0.03 -0.56 1.25 2.47 -0.59 0.67 114.38 116.69 3f1g h ARG 59 Ca -0.08 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 58.75 3f1g h ARG 59 Cb 0.70 0.01 -0.10 0.00 -1.65 0.00 0.00 29.97 28.93 3f1g h ARG 59 CO 0.11 -0.02 -0.04 1.49 0.56 0.00 0.00 179.97 182.06 3f1g h GLU 60 N -0.03 0.07 -0.22 0.04 4.57 -1.26 0.54 114.58 118.29 3f1g h GLU 60 Ca 0.36 -0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.41 3f1g h GLU 60 Cb 0.61 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.18 3f1g h GLU 60 CO -0.88 0.05 -0.34 -0.22 -1.18 0.00 0.00 179.01 176.44 3f1g h LYS 61 N 0.08 0.62 -0.73 1.92 3.11 -0.69 -1.88 116.57 119.01 3f1g h LYS 61 Ca 0.29 -0.37 0.01 0.00 -2.81 0.00 0.00 60.65 57.77 3f1g h LYS 61 Cb 0.45 0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.68 3f1g h LYS 61 CO -0.51 0.99 0.48 1.96 -2.81 0.00 0.00 179.45 179.55 3f1g h GLN 62 N 0.32 0.93 0.67 1.90 1.08 -0.31 -1.54 115.11 118.15 3f1g h GLN 62 Ca 0.02 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 3f1g h GLN 62 Cb 0.93 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 3f1g h GLN 62 CO 0.08 0.61 -0.45 -0.22 -0.95 0.00 0.00 178.83 177.90 3f1g h LYS 63 N 0.96 -1.03 -0.11 1.46 3.64 0.24 -2.23 116.57 119.50 3f1g h LYS 63 Ca 0.27 0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.76 3f1g h LYS 63 Cb -0.07 0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3f1g h LYS 63 CO -0.06 -0.69 0.09 1.25 -2.27 0.00 0.00 179.45 177.77 3f1g h LEU 64 N -1.07 0.00 0.02 5.20 5.85 -0.67 -2.65 115.31 122.00 3f1g h LEU 64 Ca -0.08 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3f1g h LEU 64 Cb 0.87 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.90 3f1g h LEU 64 CO 0.06 0.00 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.06 3f1g h ARG 65 N 0.00 -0.03 -0.98 1.25 2.43 -1.17 -3.25 114.38 112.63 3f1g h ARG 65 Ca 0.05 0.00 0.26 0.00 -0.81 0.00 0.00 59.98 59.48 3f1g h ARG 65 Cb 0.22 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.72 3f1g h ARG 65 CO -0.00 0.64 0.66 0.00 -1.51 0.00 0.00 179.97 179.77 3f1g h ARG 66 N -0.95 0.24 0.36 0.20 -0.00 -1.12 0.75 114.38 113.87 3f1g h ARG 66 Ca -0.00 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.98 59.46 3f1g h ARG 66 Cb 0.69 -0.05 -0.03 0.00 0.00 0.00 0.00 29.97 30.57 3f1g h ARG 66 CO 0.01 0.16 -0.51 0.82 0.00 0.00 0.00 179.97 180.44 3f1g h ILE 67 N 0.25 0.02 0.00 2.04 2.04 -1.51 -1.52 117.51 118.82 3f1g h ILE 67 Ca 0.51 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.37 3f1g h ILE 67 Cb 1.55 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3f1g h ILE 67 CO -0.15 0.00 0.00 -1.22 0.00 0.00 0.00 178.15 176.78 3f1g n TYR 68 N -5.54 0.00 -3.14 1.37 4.02 -0.40 -4.93 117.16 108.54 3f1g n TYR 68 Ca -0.11 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.64 3f1g n TYR 68 Cb 0.44 -0.26 0.01 0.00 -0.02 0.00 0.00 39.34 39.52 3f1g n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3f1g n GLY 69 N 0.98 -1.01 3.36 2.72 0.00 0.12 -5.02 105.19 106.34 3f1g n GLY 69 Ca 0.13 0.73 -0.15 0.00 0.00 0.00 0.00 46.02 46.73 3f1g n GLY 69 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3f1g s ILE 70 N -1.60 0.03 0.26 -0.61 1.10 -1.25 -4.99 121.20 114.15 3f1g s ILE 70 Ca 0.18 -0.29 -0.31 0.00 -0.51 0.00 0.00 60.65 59.72 3f1g s ILE 70 Cb -0.03 -0.80 -0.12 0.00 0.15 0.00 0.00 42.46 41.66 3f1g s ILE 70 CO 0.59 -0.16 1.59 -1.20 -2.11 0.00 0.00 174.94 173.65 3f1g n SER 71 N 1.04 3.65 -0.06 4.50 7.64 -1.26 -4.78 113.62 124.34 3f1g n SER 71 Ca -0.20 1.13 -0.07 0.00 1.01 0.00 0.00 58.87 60.73 3f1g n SER 71 Cb 0.57 -1.55 -0.01 0.00 -1.01 0.00 0.00 64.21 62.21 3f1g n SER 71 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3f1g h GLU 72 N 5.11 -0.12 -0.26 1.43 4.22 -2.00 0.45 114.58 123.40 3f1g h GLU 72 Ca -0.46 0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.02 3f1g h GLU 72 Cb 1.23 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.46 3f1g h GLU 72 CO 0.82 -0.08 -0.34 -0.09 -2.18 0.00 0.00 179.01 177.14 3f1g h ARG 73 N -0.13 -0.23 -0.66 1.92 9.65 -2.00 0.53 114.38 123.46 3f1g h ARG 73 Ca 0.15 0.02 0.13 0.00 -1.10 0.00 0.00 59.98 59.17 3f1g h ARG 73 Cb 0.35 0.05 -0.10 0.00 -1.39 0.00 0.00 29.97 28.88 3f1g h ARG 73 CO -0.35 -0.15 0.14 1.96 2.80 0.00 0.00 179.97 184.37 3f1g h GLN 74 N -0.24 0.25 -0.15 0.20 4.20 -1.69 -1.77 115.11 115.91 3f1g h GLN 74 Ca 0.05 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.79 3f1g h GLN 74 Cb 0.36 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.02 3f1g h GLN 74 CO -0.37 0.17 -0.35 0.35 -0.67 0.00 0.00 178.83 177.95 3f1g h PHE 75 N 0.26 -0.98 -0.14 2.96 3.57 0.14 -1.77 116.94 120.97 3f1g h PHE 75 Ca 0.36 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.92 3f1g h PHE 75 Cb 0.57 0.45 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 3f1g h PHE 75 CO -0.26 -0.42 0.00 -0.09 -2.23 0.00 0.00 178.31 175.31 3f1g h ARG 76 N -0.42 0.05 -0.75 1.11 9.65 -0.15 -1.57 114.38 122.30 3f1g h ARG 76 Ca 0.10 -0.00 0.12 0.00 -1.10 0.00 0.00 59.98 59.09 3f1g h ARG 76 Cb 0.57 -0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 29.06 3f1g h ARG 76 CO -0.38 0.03 0.35 -0.91 2.80 0.00 0.00 179.97 181.87 3f1g h ASN 77 N 0.05 0.41 -0.24 -3.80 -0.26 -0.90 0.11 115.58 110.95 3f1g h ASN 77 Ca 0.07 0.08 -0.01 0.00 -0.56 0.00 0.00 56.30 55.88 3f1g h ASN 77 Cb 0.08 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 3f1g h ASN 77 CO -0.11 0.20 0.13 -0.07 -1.06 0.00 0.00 177.43 176.52 3f1g h LEU 78 N 0.55 0.30 -0.56 1.61 3.38 -0.94 0.24 115.31 119.90 3f1g h LEU 78 Ca 0.39 -0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.38 3f1g h LEU 78 Cb 0.50 -0.08 -0.11 0.00 0.09 0.00 0.00 40.66 41.07 3f1g h LEU 78 CO -0.33 0.30 -0.14 0.15 0.09 0.00 0.00 178.44 178.52 3f1g h PHE 79 N 0.27 -0.29 -0.72 1.13 3.57 0.11 -0.12 116.94 120.89 3f1g h PHE 79 Ca 0.08 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 3f1g h PHE 79 Cb 0.07 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 3f1g h PHE 79 CO -0.03 -0.24 0.27 0.93 -2.23 0.00 0.00 178.31 177.01 3f1g h GLU 80 N 0.00 1.08 -0.83 1.11 4.39 -0.35 -1.05 114.58 118.93 3f1g h GLU 80 Ca 0.27 -0.21 0.10 0.00 0.34 0.00 0.00 59.36 59.86 3f1g h GLU 80 Cb 0.41 -0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 28.83 3f1g h GLU 80 CO -0.57 0.90 0.54 1.49 -1.16 0.00 0.00 179.01 180.21 3f1g h GLU 81 N 1.03 0.74 0.08 2.33 4.81 0.12 -0.04 114.58 123.66 3f1g h GLU 81 Ca 0.24 -0.04 -0.25 0.00 -0.13 0.00 0.00 59.36 59.17 3f1g h GLU 81 Cb 0.24 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3f1g h GLU 81 CO -0.02 0.49 -1.15 0.00 -0.73 0.00 0.00 179.01 177.60 3f1g h ALA 82 N 1.59 0.19 -0.68 2.92 0.00 -0.79 -3.19 119.26 119.30 3f1g h ALA 82 Ca 0.39 -0.88 0.02 0.00 0.00 0.00 0.00 54.91 54.44 3f1g h ALA 82 Cb 0.48 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3f1g h ALA 82 CO -0.16 1.05 0.45 0.77 0.00 0.00 0.00 179.25 181.37 3f1g h SER 83 N 0.06 0.74 0.00 0.00 0.02 0.24 -3.22 113.55 111.38 3f1g h SER 83 Ca -0.09 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 3f1g h SER 83 Cb 1.89 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 64.25 3f1g h SER 83 CO 0.18 0.52 0.00 0.29 -1.14 0.00 0.00 176.83 176.68 3f1g n LYS 84 N -4.45 0.00 -1.28 3.45 4.76 -0.30 -4.86 118.16 115.49 3f1g n LYS 84 Ca 0.08 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.13 3f1g n LYS 84 Cb 0.09 -0.95 0.02 0.00 -1.84 0.00 0.00 35.03 32.36 3f1g n LYS 84 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3f1g n LYS 85 N -0.49 0.10 -2.39 1.97 5.02 -1.21 -4.85 118.16 116.31 3f1g n LYS 85 Ca 0.00 0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 3f1g n LYS 85 Cb 0.00 -1.14 -0.03 0.00 -0.02 0.00 0.00 35.03 33.84 3f1g n LYS 85 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3f1g s LYS 86 N -1.28 4.35 0.00 1.97 1.02 -1.26 -4.90 119.74 119.64 3f1g s LYS 86 Ca 0.58 1.76 0.00 0.00 0.02 0.00 0.00 55.97 58.34 3f1g s LYS 86 Cb -0.47 -3.52 0.00 0.00 -0.52 0.00 0.00 37.83 33.32 3f1g s LYS 86 CO 0.65 -0.44 0.00 0.41 -0.92 0.00 0.00 175.35 175.05 3f1g n GLY 87 N 3.40 3.84 3.54 -3.33 0.00 -1.26 -5.04 105.19 106.34 3f1g n GLY 87 Ca 0.11 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 3f1g n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3f1g n VAL 88 N -1.45 -0.04 -0.28 1.61 0.31 -1.26 -4.77 118.33 112.45 3f1g n VAL 88 Ca 0.00 -0.56 0.05 0.00 -0.01 0.00 0.00 64.34 63.82 3f1g n VAL 88 Cb 0.00 -1.93 0.14 0.00 -0.91 0.00 0.00 33.84 31.14 3f1g n VAL 88 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3f1g h THR 89 N 7.69 0.24 0.17 2.52 2.02 -1.90 -2.34 112.91 121.30 3f1g h THR 89 Ca -0.12 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.06 3f1g h THR 89 Cb 1.19 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 3f1g h THR 89 CO 1.20 0.01 -0.51 1.23 0.37 0.00 0.00 175.52 177.82 3f1g h GLY 90 N 0.04 -1.18 0.86 2.16 0.00 -1.92 -2.00 103.07 101.03 3f1g h GLY 90 Ca 0.41 0.64 -0.00 0.00 0.00 0.00 0.00 47.33 48.38 3f1g h GLY 90 CO -0.77 -0.29 -0.02 1.48 0.00 0.00 0.00 176.54 176.94 3f1g h SER 91 N -0.76 -0.05 -0.89 0.19 4.64 -1.85 -3.04 113.55 111.78 3f1g h SER 91 Ca -0.01 -0.13 0.25 0.00 -0.47 0.00 0.00 61.79 61.42 3f1g h SER 91 Cb 0.74 0.01 -0.15 0.00 -0.31 0.00 0.00 62.40 62.70 3f1g h SER 91 CO -0.25 0.10 0.22 0.58 -0.87 0.00 0.00 176.83 176.61 3f1g h VAL 92 N -0.20 0.26 -0.47 0.95 2.07 -1.35 0.33 116.25 117.85 3f1g h VAL 92 Ca -0.01 -0.06 0.09 0.00 0.82 0.00 0.00 66.70 67.55 3f1g h VAL 92 Cb 0.18 0.08 -0.10 0.00 -1.52 0.00 0.00 31.29 29.93 3f1g h VAL 92 CO 0.01 0.03 -0.27 0.15 0.02 0.00 0.00 177.57 177.52 3f1g h PHE 93 N 0.17 -0.70 -0.76 1.57 -0.00 -1.24 0.89 116.94 116.86 3f1g h PHE 93 Ca 0.57 0.06 0.07 0.00 -0.00 0.00 0.00 57.97 58.66 3f1g h PHE 93 Cb 1.17 0.38 -0.06 0.00 -0.00 0.00 0.00 35.95 37.44 3f1g h PHE 93 CO -0.29 -0.34 0.45 -0.07 -0.00 0.00 0.00 178.31 178.06 3f1g h LEU 94 N -0.16 0.67 -0.64 0.59 3.38 -0.41 -0.70 115.31 118.05 3f1g h LEU 94 Ca 0.21 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.31 3f1g h LEU 94 Cb 0.50 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 3f1g h LEU 94 CO -0.57 0.43 0.25 1.23 0.09 0.00 0.00 178.44 179.87 3f1g h GLY 95 N 0.81 0.91 1.02 0.83 0.00 0.16 0.76 103.07 107.56 3f1g h GLY 95 Ca 0.34 -0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.43 3f1g h GLY 95 CO -0.19 -0.02 -0.13 1.41 0.00 0.00 0.00 176.54 177.62 3f1g h LEU 96 N 0.44 0.87 0.26 3.11 -0.00 -0.26 0.10 115.31 119.83 3f1g h LEU 96 Ca 0.32 -0.37 0.01 0.00 -0.00 0.00 0.00 57.88 57.84 3f1g h LEU 96 Cb 0.40 -0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 40.80 3f1g h LEU 96 CO -0.31 1.04 -0.32 -0.07 -0.00 0.00 0.00 178.44 178.78 3f1g h LEU 97 N 0.69 -0.87 -1.83 1.67 3.38 0.02 -1.32 115.31 117.05 3f1g h LEU 97 Ca 0.11 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3f1g h LEU 97 Cb 0.67 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3f1g h LEU 97 CO 0.05 -0.44 0.00 -0.08 0.09 0.00 0.00 178.44 178.06 3f1g h GLU 98 N -0.63 0.00 0.00 1.13 4.57 0.67 -2.53 114.58 117.80 3f1g h GLU 98 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3f1g h GLU 98 Cb 0.59 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 3f1g h GLU 98 CO -0.10 0.00 -0.28 0.45 -1.18 0.00 0.00 179.01 177.90 3f1g n SER 99 N -2.69 0.38 -4.75 1.04 2.88 0.34 -4.31 113.62 106.49 3f1g n SER 99 Ca -0.01 0.17 -0.39 0.00 -1.33 0.00 0.00 58.87 57.32 3f1g n SER 99 Cb 0.14 -0.15 0.03 0.00 -0.75 0.00 0.00 64.21 63.48 3f1g n SER 99 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3f1g s ARG 100 N -3.04 3.29 0.06 -1.46 0.52 -0.96 -1.01 118.95 116.37 3f1g s ARG 100 Ca 0.11 2.27 -0.34 0.00 -0.52 0.00 0.00 55.73 57.26 3f1g s ARG 100 Cb 0.17 -2.36 -0.18 0.00 0.52 0.00 0.00 34.95 33.10 3f1g s ARG 100 CO 0.63 -1.08 1.51 1.25 0.02 0.00 0.00 175.30 177.63 3f1g h LEU 101 N 1.69 -1.14 -1.80 2.53 5.85 -0.17 -1.71 115.31 120.57 3f1g h LEU 101 Ca -0.51 0.06 0.38 0.00 0.84 0.00 0.00 57.88 58.65 3f1g h LEU 101 Cb 1.29 0.33 -0.07 0.00 0.37 0.00 0.00 40.66 42.58 3f1g h LEU 101 CO 0.58 -0.69 0.91 -2.24 -0.34 0.00 0.00 178.44 176.66 3f1g h ASP 102 N -1.11 0.12 0.51 1.25 2.03 -1.69 0.33 116.42 117.86 3f1g h ASP 102 Ca -0.10 0.03 -0.03 0.00 -0.73 0.00 0.00 57.03 56.21 3f1g h ASP 102 Cb 0.89 0.02 0.01 0.00 -0.83 0.00 0.00 39.33 39.41 3f1g h ASP 102 CO 0.10 -0.01 -0.25 -1.13 -1.03 0.00 0.00 179.24 176.93 3f1g h ASN 103 N 0.09 -0.58 -0.98 4.15 -1.24 -1.72 -3.16 115.58 112.14 3f1g h ASN 103 Ca 0.66 -0.06 0.12 0.00 0.71 0.00 0.00 56.30 57.73 3f1g h ASN 103 Cb 2.39 0.15 -0.14 0.00 0.73 0.00 0.00 38.32 41.46 3f1g h ASN 103 CO -0.12 -0.21 -0.49 0.52 -1.29 0.00 0.00 177.43 175.85 3f1g n VAL 104 N -5.27 -0.60 -0.33 2.57 0.31 0.11 -0.53 118.33 114.59 3f1g n VAL 104 Ca -0.10 2.34 0.17 0.00 -0.01 0.00 0.00 64.34 66.74 3f1g n VAL 104 Cb 0.32 -2.98 0.38 0.00 -0.91 0.00 0.00 33.84 30.64 3f1g n VAL 104 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3f1g h VAL 105 N 0.00 0.49 0.40 2.52 2.07 -1.41 0.25 116.25 120.57 3f1g h VAL 105 Ca 0.24 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 3f1g h VAL 105 Cb 0.49 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 3f1g h VAL 105 CO -0.95 0.09 -0.19 0.22 0.02 0.00 0.00 177.57 176.76 3f1g h TYR 106 N 0.51 -0.49 -1.12 1.57 3.20 -0.77 -2.67 116.97 117.18 3f1g h TYR 106 Ca 0.64 -0.01 0.31 0.00 3.14 0.00 0.00 58.73 62.81 3f1g h TYR 106 Cb 1.25 0.16 -0.09 0.00 1.54 0.00 0.00 36.73 39.59 3f1g h TYR 106 CO -0.04 -0.23 0.74 0.00 -1.64 0.00 0.00 178.16 176.99 3f1g h ARG 107 N -1.08 0.26 -0.08 1.82 2.47 -0.32 0.21 114.38 117.66 3f1g h ARG 107 Ca -0.05 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 3f1g h ARG 107 Cb 0.48 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 3f1g h ARG 107 CO 0.09 0.17 0.00 -0.11 0.56 0.00 0.00 179.97 180.68 3f1g n LEU 108 N -4.56 1.10 0.00 3.04 7.94 0.82 -4.89 117.00 120.45 3f1g n LEU 108 Ca 0.28 -0.43 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 3f1g n LEU 108 Cb 1.05 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.95 3f1g n LEU 108 CO 0.27 0.21 0.00 0.61 -1.11 0.00 0.00 177.39 177.38 3f1g n GLY 109 N 1.06 2.03 0.35 -3.96 0.00 0.73 -4.83 105.19 100.57 3f1g n GLY 109 Ca 0.17 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.37 3f1g n GLY 109 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3f1g h PHE 110 N 0.00 0.00 -4.17 1.61 0.04 -1.69 -3.39 116.94 109.34 3f1g h PHE 110 Ca 0.00 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.63 3f1g h PHE 110 Cb 0.00 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.00 3f1g h PHE 110 CO 0.00 0.00 -0.68 0.00 -0.60 0.00 0.00 178.31 177.03 3f1g s ALA 111 N -4.50 0.53 -0.27 2.45 0.00 -1.22 -4.73 121.76 114.02 3f1g s ALA 111 Ca -0.04 -1.18 0.23 0.00 0.00 0.00 0.00 51.96 50.97 3f1g s ALA 111 Cb 0.14 0.25 0.05 0.00 0.00 0.00 0.00 23.12 23.56 3f1g s ALA 111 CO 0.49 -0.34 1.12 -0.24 0.00 0.00 0.00 175.76 176.79 3f1g h VAL 112 N 3.25 0.00 -3.66 0.00 3.04 -1.92 -3.44 116.25 113.52 3f1g h VAL 112 Ca -0.34 -0.98 -0.22 0.00 -1.01 0.00 0.00 66.70 64.15 3f1g h VAL 112 Cb 1.15 1.54 -0.28 0.00 -2.01 0.00 0.00 31.29 31.69 3f1g h VAL 112 CO 0.64 0.00 -0.68 -0.55 -1.01 0.00 0.00 177.57 175.96 3f1g s SER 113 N -5.42 -0.03 0.23 3.17 0.15 -1.26 -4.61 113.70 105.93 3f1g s SER 113 Ca 0.01 0.05 -0.08 0.00 0.70 0.00 0.00 55.95 56.63 3f1g s SER 113 Cb 0.09 0.06 0.21 0.00 -1.71 0.00 0.00 66.02 64.67 3f1g s SER 113 CO 0.77 -0.02 1.90 0.03 1.20 0.00 0.00 173.24 177.13 3f1g h ARG 114 N 6.08 1.18 0.39 5.44 3.08 -1.88 1.15 114.38 129.82 3f1g h ARG 114 Ca -0.24 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.71 3f1g h ARG 114 Cb 1.21 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 31.00 3f1g h ARG 114 CO 0.49 0.79 -0.19 0.00 -1.07 0.00 0.00 179.97 180.00 3f1g h ARG 115 N 1.21 -0.51 -0.36 0.04 3.08 -1.95 -0.08 114.38 115.81 3f1g h ARG 115 Ca 0.33 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.48 3f1g h ARG 115 Cb -0.12 0.11 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 3f1g h ARG 115 CO -0.07 -0.27 -0.08 0.37 -1.07 0.00 0.00 179.97 178.86 3f1g h GLN 116 N -0.65 0.01 -0.82 0.04 4.15 -1.86 -1.03 115.11 114.96 3f1g h GLN 116 Ca -0.05 -0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.53 3f1g h GLN 116 Cb 0.47 -0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.05 3f1g h GLN 116 CO 0.09 0.01 0.34 0.00 -1.93 0.00 0.00 178.83 177.34 3f1g h ALA 117 N 1.35 1.20 -0.10 3.38 0.00 0.16 0.16 119.26 125.42 3f1g h ALA 117 Ca 0.17 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.25 3f1g h ALA 117 Cb 0.26 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3f1g h ALA 117 CO -0.36 -0.23 -0.20 -0.09 0.00 0.00 0.00 179.25 178.37 3f1g h ARG 118 N 0.45 -0.25 -0.30 0.00 2.43 0.31 0.95 114.38 117.97 3f1g h ARG 118 Ca 0.47 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.74 3f1g h ARG 118 Cb 0.76 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 3f1g h ARG 118 CO -0.44 -0.17 0.23 0.37 -1.51 0.00 0.00 179.97 178.45 3f1g h GLN 119 N -0.26 0.00 0.01 0.20 4.15 -0.26 0.46 115.11 119.41 3f1g h GLN 119 Ca 0.09 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 3f1g h GLN 119 Cb 0.39 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.08 3f1g h GLN 119 CO -0.25 0.00 -0.01 -0.07 -1.93 0.00 0.00 178.83 176.57 3f1g h LEU 120 N 0.00 -0.01 0.02 -2.39 3.38 0.41 -0.39 115.31 116.33 3f1g h LEU 120 Ca 0.14 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3f1g h LEU 120 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3f1g h LEU 120 CO -0.00 0.57 -0.04 0.58 0.09 0.00 0.00 178.44 179.64 3f1g h VAL 121 N -0.60 0.91 -0.36 1.22 2.07 -0.08 0.16 116.25 119.57 3f1g h VAL 121 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3f1g h VAL 121 Cb 0.58 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3f1g h VAL 121 CO 0.00 0.00 0.20 -0.09 0.02 0.00 0.00 177.57 177.71 3f1g h ARG 122 N -0.07 0.40 -0.08 1.57 1.12 -0.14 0.29 114.38 117.47 3f1g h ARG 122 Ca 0.01 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.85 3f1g h ARG 122 Cb 0.08 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 29.95 3f1g h ARG 122 CO -0.02 0.27 0.00 0.72 -3.11 0.00 0.00 179.97 177.82 3f1g n HIS 123 N -4.90 0.00 -1.28 2.20 8.25 -0.16 -4.84 115.22 114.49 3f1g n HIS 123 Ca 0.01 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.42 3f1g n HIS 123 Cb 0.07 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 3f1g n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3f1g n GLY 124 N 0.46 0.64 0.10 -1.41 0.00 0.10 -4.92 105.19 100.17 3f1g n GLY 124 Ca 0.00 -0.84 0.12 0.00 0.00 0.00 0.00 46.02 45.30 3f1g n GLY 124 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3f1g n HIS 125 N -3.05 0.72 -3.99 1.61 8.25 0.47 -4.83 115.22 114.40 3f1g n HIS 125 Ca -0.05 0.25 -0.21 0.00 -0.26 0.00 0.00 57.72 57.45 3f1g n HIS 125 Cb 0.21 -0.90 -0.03 0.00 1.12 0.00 0.00 29.99 30.39 3f1g n HIS 125 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3f1g s ILE 126 N -3.18 4.68 -0.10 1.59 -1.09 -1.26 -1.36 121.20 120.48 3f1g s ILE 126 Ca 0.08 -1.21 -0.07 0.00 -2.23 0.00 0.00 60.65 57.22 3f1g s ILE 126 Cb 0.11 -3.57 0.03 0.00 -1.58 0.00 0.00 42.46 37.46 3f1g s ILE 126 CO 0.47 -0.32 0.24 0.28 -1.23 0.00 0.00 174.94 174.38 3f1g s THR 127 N -2.09 -0.02 -0.19 2.92 -1.32 0.12 -3.27 115.64 111.79 3f1g s THR 127 Ca 0.35 0.07 -0.10 0.00 -1.21 0.00 0.00 61.69 60.80 3f1g s THR 127 Cb -0.08 -0.36 -0.05 0.00 -1.51 0.00 0.00 72.50 70.50 3f1g s THR 127 CO 0.27 0.03 0.13 -0.69 -2.21 0.00 0.00 174.62 172.15 3f1g s VAL 128 N 0.68 5.38 -0.73 5.08 1.01 -1.19 -0.26 120.40 130.37 3f1g s VAL 128 Ca -0.05 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.11 3f1g s VAL 128 Cb -0.06 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3f1g s VAL 128 CO -0.04 0.45 0.00 0.59 0.00 0.00 0.00 175.10 176.10 3f1g n ASN 129 N 3.43 -2.01 0.00 3.32 3.02 0.19 -2.11 115.26 121.10 3f1g n ASN 129 Ca -0.16 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 3f1g n ASN 129 Cb 0.52 -2.05 0.00 0.00 -0.61 0.00 0.00 39.78 37.64 3f1g n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f1g n GLY 130 N -0.23 2.73 3.67 7.41 0.00 -1.26 -5.02 105.19 112.50 3f1g n GLY 130 Ca -0.07 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 3f1g n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f1g s ARG 131 N 0.00 4.17 0.69 1.61 3.00 -0.90 -4.89 118.95 122.63 3f1g s ARG 131 Ca 0.00 2.39 -0.17 0.00 0.00 0.00 0.00 55.73 57.95 3f1g s ARG 131 Cb 0.00 -3.87 -0.01 0.00 0.00 0.00 0.00 34.95 31.07 3f1g s ARG 131 CO 0.00 -0.84 0.91 2.89 0.00 0.00 0.00 175.30 178.26 3f1g n ARG 132 N 6.60 0.58 -3.57 3.54 1.85 -1.26 -3.16 116.66 121.24 3f1g n ARG 132 Ca 0.18 0.25 -0.20 0.00 -1.00 0.00 0.00 57.85 57.08 3f1g n ARG 132 Cb 0.41 -2.15 -0.15 0.00 -1.05 0.00 0.00 32.46 29.52 3f1g n ARG 132 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3f1g s VAL 133 N -1.74 -0.26 -1.78 8.89 1.01 -1.20 -4.82 120.40 120.51 3f1g s VAL 133 Ca 0.73 0.01 0.22 0.00 0.00 0.00 0.00 61.98 62.94 3f1g s VAL 133 Cb -0.37 -0.55 0.67 0.00 0.00 0.00 0.00 36.38 36.14 3f1g s VAL 133 CO 0.50 -0.12 1.57 -0.90 0.00 0.00 0.00 175.10 176.15 3f1g n ASP 134 N 5.31 4.17 -4.44 3.32 3.85 -1.26 -4.67 116.55 122.84 3f1g n ASP 134 Ca -0.06 -2.12 -0.44 0.00 -0.71 0.00 0.00 54.79 51.47 3f1g n ASP 134 Cb 0.49 -0.52 -0.07 0.00 -1.35 0.00 0.00 41.12 39.68 3f1g n ASP 134 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3f1g s LEU 135 N -1.22 5.08 0.25 -2.12 1.02 -1.26 -3.88 118.68 116.55 3f1g s LEU 135 Ca 0.50 -0.97 -0.04 0.00 0.02 0.00 0.00 54.13 53.64 3f1g s LEU 135 Cb 0.28 -2.40 0.39 0.00 0.02 0.00 0.00 46.19 44.48 3f1g s LEU 135 CO 0.31 -0.83 1.83 -0.65 0.02 0.00 0.00 176.35 177.03 3f1g h PRO 136 N 8.94 0.87 0.00 1.29 0.11 -1.91 -2.01 132.00 139.27 3f1g h PRO 136 Ca -0.28 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3f1g h PRO 136 Cb 1.10 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3f1g h PRO 136 CO 0.94 0.57 0.00 -1.13 -0.21 0.00 0.00 178.00 178.17 3f1g n SER 137 N -4.68 0.05 -4.63 -2.05 3.41 -1.26 -2.07 113.62 102.39 3f1g n SER 137 Ca 0.14 0.51 -0.50 0.00 -0.26 0.00 0.00 58.87 58.76 3f1g n SER 137 Cb 0.24 -0.52 -0.06 0.00 -0.26 0.00 0.00 64.21 63.62 3f1g n SER 137 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f1g n TYR 138 N -1.55 2.09 -2.43 7.33 4.19 -0.76 -4.58 117.16 121.45 3f1g n TYR 138 Ca 0.04 0.15 -0.43 0.00 3.31 0.00 0.00 57.90 60.96 3f1g n TYR 138 Cb 0.20 -2.60 -0.02 0.00 0.49 0.00 0.00 39.34 37.40 3f1g n TYR 138 CO 0.00 0.00 0.00 0.50 0.91 0.00 0.00 176.86 178.27 3f1g s ARG 139 N 4.65 3.67 -0.38 2.98 3.52 -1.26 -0.17 118.95 131.96 3f1g s ARG 139 Ca 0.98 0.89 -0.29 0.00 -0.13 0.00 0.00 55.73 57.18 3f1g s ARG 139 Cb -0.77 -3.97 0.02 0.00 -1.56 0.00 0.00 34.95 28.67 3f1g s ARG 139 CO 0.53 -1.44 1.17 0.08 -0.81 0.00 0.00 175.30 174.82 3f1g s VAL 140 N 4.99 4.28 0.66 7.11 1.01 -0.18 -4.96 120.40 133.32 3f1g s VAL 140 Ca 0.57 1.40 -0.11 0.00 0.00 0.00 0.00 61.98 63.84 3f1g s VAL 140 Cb -0.12 -4.43 -0.01 0.00 0.00 0.00 0.00 36.38 31.82 3f1g s VAL 140 CO 0.31 -0.70 1.05 -0.13 0.00 0.00 0.00 175.10 175.63 3f1g s ARG 141 N 4.15 3.25 -0.05 2.72 0.52 -1.26 -4.89 118.95 123.39 3f1g s ARG 141 Ca 0.50 0.73 -0.30 0.00 -0.52 0.00 0.00 55.73 56.14 3f1g s ARG 141 Cb -0.11 -2.04 -0.05 0.00 0.52 0.00 0.00 34.95 33.26 3f1g s ARG 141 CO 0.24 -0.82 1.56 -2.14 0.02 0.00 0.00 175.30 174.16 3f1g s PRO 142 N -5.19 4.21 0.00 3.54 0.02 -1.26 -2.94 135.00 133.37 3f1g s PRO 142 Ca 0.56 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.68 3f1g s PRO 142 Cb -0.12 -3.84 0.00 0.00 0.02 0.00 0.00 34.50 30.56 3f1g s PRO 142 CO 0.54 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.85 3f1g n GLY 143 N 3.96 1.18 3.77 0.52 0.00 0.11 -4.97 105.19 109.75 3f1g n GLY 143 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3f1g n GLY 143 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3f1g s ASP 144 N -1.79 6.93 -0.57 1.61 1.11 -1.15 -4.91 116.67 117.90 3f1g s ASP 144 Ca 0.00 1.11 -0.22 0.00 0.18 0.00 0.00 52.55 53.62 3f1g s ASP 144 Cb 0.00 -2.34 0.06 0.00 1.07 0.00 0.00 42.92 41.70 3f1g s ASP 144 CO 0.00 0.13 0.83 -1.61 1.18 0.00 0.00 175.17 175.69 3f1g s GLU 145 N -0.26 3.19 -0.00 8.23 2.02 -1.26 -2.74 118.70 127.88 3f1g s GLU 145 Ca 0.30 -0.68 -0.18 0.00 0.02 0.00 0.00 54.97 54.43 3f1g s GLU 145 Cb -0.18 -4.13 -0.06 0.00 0.10 0.00 0.00 34.13 29.87 3f1g s GLU 145 CO 0.16 -1.49 0.49 0.42 0.02 0.00 0.00 175.26 174.87 3f1g s ILE 146 N 3.46 4.96 0.39 -1.63 1.09 -1.05 0.54 121.20 128.95 3f1g s ILE 146 Ca 0.22 1.03 -0.15 0.00 -1.10 0.00 0.00 60.65 60.65 3f1g s ILE 146 Cb -0.17 -3.82 0.06 0.00 -1.06 0.00 0.00 42.46 37.48 3f1g s ILE 146 CO 0.14 0.50 0.80 0.00 -0.10 0.00 0.00 174.94 176.28 3f1g n ALA 147 N 2.27 -1.82 -2.08 9.38 0.00 0.64 -1.22 120.51 127.67 3f1g n ALA 147 Ca -0.11 -1.27 -0.38 0.00 0.00 0.00 0.00 53.44 51.69 3f1g n ALA 147 Cb 0.52 1.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.91 3f1g n ALA 147 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3f1g s VAL 148 N -2.09 4.51 0.95 0.00 1.01 -1.02 0.13 120.40 123.88 3f1g s VAL 148 Ca 0.16 1.47 -0.15 0.00 0.00 0.00 0.00 61.98 63.46 3f1g s VAL 148 Cb -0.05 -4.01 0.18 0.00 0.00 0.00 0.00 36.38 32.51 3f1g s VAL 148 CO 0.12 0.44 1.26 0.00 0.00 0.00 0.00 175.10 176.92 3f1g s ALA 149 N -1.24 2.11 0.00 5.51 0.00 -0.47 -4.78 121.76 122.90 3f1g s ALA 149 Ca 0.36 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.30 3f1g s ALA 149 Cb -0.20 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.07 3f1g s ALA 149 CO 0.23 -2.40 0.79 0.39 0.00 0.00 0.00 175.76 174.78 3f1g n GLU 150 N -3.78 0.00 0.00 0.00 4.71 -1.26 -0.38 120.64 119.92 3f1g n GLU 150 Ca 0.13 0.36 0.00 0.00 -0.01 0.00 0.00 57.16 57.64 3f1g n GLU 150 Cb 0.60 -1.32 0.00 0.00 -1.01 0.00 0.00 31.44 29.71 3f1g n GLU 150 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 3f1g n LYS 151 N -1.58 0.00 -0.04 3.49 4.81 -1.26 -1.13 118.16 122.45 3f1g n LYS 151 Ca 0.00 0.34 -0.20 0.00 -0.87 0.00 0.00 58.31 57.57 3f1g n LYS 151 Cb 0.00 -1.66 -0.13 0.00 0.02 0.00 0.00 35.03 33.26 3f1g n LYS 151 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3f1g n SER 152 N -1.34 2.07 -0.35 3.14 7.64 -0.97 -4.50 113.62 119.31 3f1g n SER 152 Ca 0.00 0.10 0.28 0.00 1.01 0.00 0.00 58.87 60.26 3f1g n SER 152 Cb 0.16 -0.71 0.53 0.00 -1.01 0.00 0.00 64.21 63.18 3f1g n SER 152 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3f1g h ARG 153 N 0.01 0.20 -0.83 1.43 3.08 0.87 -0.32 114.38 118.83 3f1g h ARG 153 Ca -0.48 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.56 3f1g h ARG 153 Cb 1.97 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.97 3f1g h ARG 153 CO 0.02 0.13 0.00 0.27 -1.07 0.00 0.00 179.97 179.32 3f1g n ASN 154 N -5.03 2.95 -4.83 7.04 6.94 -1.26 -4.60 115.26 116.47 3f1g n ASN 154 Ca 0.34 -2.39 -0.35 0.00 -0.02 0.00 0.00 54.58 52.16 3f1g n ASN 154 Cb 1.13 -0.58 -0.06 0.00 -2.36 0.00 0.00 39.78 37.91 3f1g n ASN 154 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3f1g s LEU 155 N -1.13 4.30 0.02 -4.53 1.43 -0.13 -4.96 118.68 113.67 3f1g s LEU 155 Ca 0.22 1.33 -0.05 0.00 -1.03 0.00 0.00 54.13 54.60 3f1g s LEU 155 Cb 0.17 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.76 3f1g s LEU 155 CO 0.06 0.01 1.09 -0.33 0.23 0.00 0.00 176.35 177.41 3f1g h GLU 156 N 3.26 -0.11 -0.50 1.70 3.07 -1.91 0.17 114.58 120.26 3f1g h GLU 156 Ca -0.48 0.01 0.10 0.00 -0.50 0.00 0.00 59.36 58.48 3f1g h GLU 156 Cb 1.19 0.02 -0.10 0.00 -0.84 0.00 0.00 28.75 29.02 3f1g h GLU 156 CO 0.65 -0.07 -0.28 1.25 -1.40 0.00 0.00 179.01 179.16 3f1g h LEU 157 N -0.11 -0.95 -0.49 1.33 5.85 -1.98 0.13 115.31 119.09 3f1g h LEU 157 Ca 0.00 0.20 0.09 0.00 0.84 0.00 0.00 57.88 59.01 3f1g h LEU 157 Cb 0.12 0.49 -0.08 0.00 0.37 0.00 0.00 40.66 41.56 3f1g h LEU 157 CO -0.05 -0.28 0.03 0.40 -0.34 0.00 0.00 178.44 178.20 3f1g h ILE 158 N -0.16 0.65 0.03 4.05 1.08 -1.82 -1.44 117.51 119.90 3f1g h ILE 158 Ca 0.22 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.64 3f1g h ILE 158 Cb 0.52 0.49 -0.01 0.00 -3.07 0.00 0.00 36.82 34.74 3f1g h ILE 158 CO -0.59 0.03 -0.09 0.03 -0.69 0.00 0.00 178.15 176.83 3f1g h ARG 159 N 0.15 -0.14 -0.67 2.37 2.47 0.13 -0.98 114.38 117.72 3f1g h ARG 159 Ca 0.25 0.01 0.13 0.00 -1.26 0.00 0.00 59.98 59.11 3f1g h ARG 159 Cb 0.36 0.03 -0.09 0.00 -1.65 0.00 0.00 29.97 28.61 3f1g h ARG 159 CO -0.38 -0.09 0.17 1.96 0.56 0.00 0.00 179.97 182.19 3f1g h GLN 160 N -0.14 0.29 0.16 0.04 4.20 -0.88 0.87 115.11 119.65 3f1g h GLN 160 Ca -0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3f1g h GLN 160 Cb 0.14 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3f1g h GLN 160 CO -0.05 0.19 -0.16 -0.91 -0.67 0.00 0.00 178.83 177.24 3f1g h ASN 161 N 0.30 -0.42 -0.69 1.46 2.35 -1.19 0.11 115.58 117.50 3f1g h ASN 161 Ca 0.36 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 56.12 3f1g h ASN 161 Cb 0.56 0.15 -0.03 0.00 0.05 0.00 0.00 38.32 39.05 3f1g h ASN 161 CO -0.43 -0.24 0.31 -0.07 -1.65 0.00 0.00 177.43 175.34 3f1g h LEU 162 N -0.35 0.92 -0.10 1.61 3.38 0.17 -1.82 115.31 119.13 3f1g h LEU 162 Ca 0.00 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.85 3f1g h LEU 162 Cb 0.33 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3f1g h LEU 162 CO -0.04 0.81 -0.47 -0.08 0.09 0.00 0.00 178.44 178.75 3f1g h GLU 163 N 0.96 -0.51 0.00 1.13 4.57 0.11 0.12 114.58 120.96 3f1g h GLU 163 Ca 0.23 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 3f1g h GLU 163 Cb 0.16 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 3f1g h GLU 163 CO -0.03 -0.34 0.00 0.00 -1.18 0.00 0.00 179.01 177.47 3f1g n ALA 164 N -2.94 1.29 1.24 2.92 0.00 -0.01 -2.33 120.51 120.68 3f1g n ALA 164 Ca -0.06 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.42 3f1g n ALA 164 Cb 0.33 -1.08 0.20 0.00 0.00 0.00 0.00 19.45 18.91 3f1g n ALA 164 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3f1g n MET 165 N -1.42 1.59 -1.76 0.00 1.56 0.41 -4.91 117.12 112.59 3f1g n MET 165 Ca 0.02 -0.91 -0.41 0.00 -0.27 0.00 0.00 57.70 56.12 3f1g n MET 165 Cb 0.05 -1.25 -0.01 0.00 2.15 0.00 0.00 33.22 34.16 3f1g n MET 165 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 3f1g n LYS 166 N 0.20 2.71 0.00 2.12 -0.00 -0.98 -4.46 118.16 117.74 3f1g n LYS 166 Ca 0.11 0.95 0.00 0.00 -0.00 0.00 0.00 58.31 59.37 3f1g n LYS 166 Cb 0.23 -2.71 0.00 0.00 -0.00 0.00 0.00 35.03 32.55 3f1g n LYS 166 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3f1g n GLY 167 N 1.19 0.32 0.33 2.58 0.00 -1.26 -4.87 105.19 103.49 3f1g n GLY 167 Ca 0.04 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.73 3f1g n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f1g n ARG 168 N 0.00 0.00 -0.68 1.61 5.12 -1.26 -4.76 116.66 116.69 3f1g n ARG 168 Ca 0.00 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.61 3f1g n ARG 168 Cb 0.00 0.00 0.17 0.00 -1.16 0.00 0.00 32.46 31.47 3f1g n ARG 168 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3f1g n LYS 169 N 0.14 -0.77 -3.65 5.56 5.02 -1.26 -5.04 118.16 118.15 3f1g n LYS 169 Ca 0.00 -0.17 -0.10 0.00 -2.02 0.00 0.00 58.31 56.02 3f1g n LYS 169 Cb 0.00 -2.17 -0.08 0.00 -0.02 0.00 0.00 35.03 32.76 3f1g n LYS 169 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3f1g s VAL 170 N -2.52 -0.00 -0.02 -0.18 0.11 -1.26 -5.11 120.40 111.42 3f1g s VAL 170 Ca 0.64 0.01 -0.02 0.00 -2.93 0.00 0.00 61.98 59.69 3f1g s VAL 170 Cb -0.22 -0.91 0.01 0.00 -1.53 0.00 0.00 36.38 33.73 3f1g s VAL 170 CO 0.62 0.01 0.03 0.61 -3.33 0.00 0.00 175.10 173.04 3f1g n GLY 171 N 3.78 -1.68 0.35 6.54 0.00 -1.26 -4.48 105.19 108.45 3f1g n GLY 171 Ca -0.18 0.24 0.18 0.00 0.00 0.00 0.00 46.02 46.26 3f1g n GLY 171 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3f1g h PRO 172 N 4.39 0.00 -0.59 1.61 0.11 -1.99 0.61 132.00 136.13 3f1g h PRO 172 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3f1g h PRO 172 Cb 0.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.27 3f1g h PRO 172 CO 0.00 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.12 3f1g n TRP 173 N -3.66 0.82 -4.05 0.65 2.14 -1.26 -4.89 117.44 107.18 3f1g n TRP 173 Ca 0.03 -0.32 -0.08 0.00 2.07 0.00 0.00 57.50 59.20 3f1g n TRP 173 Cb 0.40 -0.17 -0.10 0.00 -0.81 0.00 0.00 31.31 30.63 3f1g n TRP 173 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 3f1g s LEU 174 N -1.24 2.40 -0.17 5.67 1.43 0.21 -0.90 118.68 126.09 3f1g s LEU 174 Ca 0.28 -0.85 -0.05 0.00 -1.03 0.00 0.00 54.13 52.48 3f1g s LEU 174 Cb 0.18 0.18 0.08 0.00 0.03 0.00 0.00 46.19 46.66 3f1g s LEU 174 CO 0.13 -0.51 0.32 -0.94 0.23 0.00 0.00 176.35 175.58 3f1g s SER 175 N -2.49 0.22 0.55 2.29 1.04 -1.10 -4.77 113.70 109.44 3f1g s SER 175 Ca 0.00 0.63 0.01 0.00 0.48 0.00 0.00 55.95 57.07 3f1g s SER 175 Cb 0.03 0.93 0.03 0.00 0.10 0.00 0.00 66.02 67.11 3f1g s SER 175 CO -0.07 -0.25 0.77 -0.22 0.98 0.00 0.00 173.24 174.45 3f1g s LEU 176 N 2.49 3.29 -0.40 2.42 2.96 -1.26 -1.36 118.68 126.81 3f1g s LEU 176 Ca 0.02 0.02 0.06 0.00 -0.22 0.00 0.00 54.13 54.01 3f1g s LEU 176 Cb -0.13 -2.90 0.17 0.00 0.50 0.00 0.00 46.19 43.84 3f1g s LEU 176 CO -0.11 -1.13 0.54 -0.62 -1.32 0.00 0.00 176.35 173.72 3f1g s ASP 177 N -4.41 -0.56 0.54 3.68 2.15 0.98 -4.88 116.67 114.16 3f1g s ASP 177 Ca 0.57 -1.12 0.34 0.00 0.43 0.00 0.00 52.55 52.77 3f1g s ASP 177 Cb -0.10 1.45 1.50 0.00 -0.30 0.00 0.00 42.92 45.47 3f1g s ASP 177 CO 0.39 -0.20 2.02 0.58 -0.17 0.00 0.00 175.17 177.79 3f1g h VAL 178 N 5.00 0.00 0.72 1.11 2.07 -1.93 0.34 116.25 123.56 3f1g h VAL 178 Ca 0.05 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 3f1g h VAL 178 Cb 1.13 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.27 3f1g h VAL 178 CO 0.13 0.00 -0.44 -0.08 0.02 0.00 0.00 177.57 177.20 3f1g h GLU 179 N 0.00 -1.05 -0.18 1.57 4.57 -1.95 -3.17 114.58 114.37 3f1g h GLU 179 Ca 0.00 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 3f1g h GLU 179 Cb 0.41 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 3f1g h GLU 179 CO 0.00 -0.70 0.00 0.41 -1.18 0.00 0.00 179.01 177.54 3f1g n GLY 180 N -1.58 0.94 3.28 1.92 0.00 -1.04 -4.99 105.19 103.72 3f1g n GLY 180 Ca -0.14 -0.61 -0.15 0.00 0.00 0.00 0.00 46.02 45.11 3f1g n GLY 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3f1g n MET 181 N 1.00 -3.61 -4.02 1.61 2.81 0.12 -4.85 117.12 110.18 3f1g n MET 181 Ca 0.17 0.85 -0.10 0.00 -1.81 0.00 0.00 57.70 56.82 3f1g n MET 181 Cb 0.51 -5.80 -0.05 0.00 -0.71 0.00 0.00 33.22 27.17 3f1g n MET 181 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 3f1g s LYS 182 N -4.68 1.56 0.37 0.03 -2.85 -0.95 -2.45 119.74 110.77 3f1g s LYS 182 Ca 0.31 -1.33 -0.16 0.00 -1.00 0.00 0.00 55.97 53.79 3f1g s LYS 182 Cb -0.04 0.45 0.06 0.00 -2.06 0.00 0.00 37.83 36.24 3f1g s LYS 182 CO 0.73 -0.64 0.82 0.20 0.10 0.00 0.00 175.35 176.55 3f1g s GLY 183 N -3.05 0.35 -0.02 0.59 0.00 -0.36 -0.01 107.32 104.82 3f1g s GLY 183 Ca 0.24 -0.71 -0.01 0.00 0.00 0.00 0.00 44.72 44.24 3f1g s GLY 183 CO 0.10 -0.01 0.05 0.54 0.00 0.00 0.00 173.10 173.78 3f1g s LYS 184 N -2.26 0.01 -1.19 2.90 1.02 -0.46 -2.53 119.74 117.22 3f1g s LYS 184 Ca 0.16 0.15 -0.20 0.00 0.02 0.00 0.00 55.97 56.11 3f1g s LYS 184 Cb -0.05 -0.12 0.06 0.00 -0.52 0.00 0.00 37.83 37.20 3f1g s LYS 184 CO 0.11 -0.10 1.64 0.12 -0.92 0.00 0.00 175.35 176.20 3f1g s PHE 185 N 0.62 2.67 0.11 3.18 5.36 -1.11 -2.70 117.98 126.13 3f1g s PHE 185 Ca -0.05 -1.31 -0.27 0.00 -0.96 0.00 0.00 56.93 54.35 3f1g s PHE 185 Cb -0.07 -4.72 -0.08 0.00 -0.34 0.00 0.00 43.02 37.81 3f1g s PHE 185 CO -0.02 -1.85 1.64 -0.07 -1.46 0.00 0.00 175.22 173.46 3f1g h LEU 186 N 12.75 -0.71 -8.11 6.12 3.38 -1.36 0.30 115.31 127.68 3f1g h LEU 186 Ca 0.35 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.39 3f1g h LEU 186 Cb 0.92 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 3f1g h LEU 186 CO 1.44 -0.33 0.13 0.00 0.09 0.00 0.00 178.44 179.77 3f1g s ARG 187 N -6.07 1.92 0.01 1.13 1.70 -1.19 -4.20 118.95 112.25 3f1g s ARG 187 Ca -0.15 -1.28 -0.30 0.00 -0.47 0.00 0.00 55.73 53.52 3f1g s ARG 187 Cb 0.08 0.57 -0.05 0.00 -0.57 0.00 0.00 34.95 34.98 3f1g s ARG 187 CO 0.65 -0.86 1.21 -0.51 -1.08 0.00 0.00 175.30 174.71 3f1g s LEU 188 N -3.03 4.33 0.08 -1.89 1.43 -1.26 -4.77 118.68 113.58 3f1g s LEU 188 Ca 0.17 1.95 -0.31 0.00 -1.03 0.00 0.00 54.13 54.91 3f1g s LEU 188 Cb -0.04 -3.57 -0.08 0.00 0.03 0.00 0.00 46.19 42.53 3f1g s LEU 188 CO 0.10 -0.53 1.61 -2.16 0.23 0.00 0.00 176.35 175.61 3f1g s PRO 189 N 1.59 4.21 0.68 1.29 0.04 -1.26 -5.00 135.00 136.55 3f1g s PRO 189 Ca 0.58 2.31 -0.16 0.00 0.04 0.00 0.00 61.00 63.77 3f1g s PRO 189 Cb -0.28 -3.50 0.01 0.00 0.04 0.00 0.00 34.50 30.77 3f1g s PRO 189 CO 0.26 -0.69 1.20 -0.51 0.04 0.00 0.00 177.00 177.30 3f1g s ASP 190 N 2.10 4.57 0.25 6.66 1.01 -1.26 -4.84 116.67 125.16 3f1g s ASP 190 Ca 0.72 2.33 -0.06 0.00 0.71 0.00 0.00 52.55 56.26 3f1g s ASP 190 Cb -0.40 -2.59 0.47 0.00 1.01 0.00 0.00 42.92 41.41 3f1g s ASP 190 CO 0.32 -2.01 1.65 -0.09 0.21 0.00 0.00 175.17 175.24 3f1g h ARG 191 N 0.06 0.14 -0.69 8.23 9.65 -1.93 -1.20 114.38 128.65 3f1g h ARG 191 Ca -0.48 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.37 3f1g h ARG 191 Cb 1.29 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.81 3f1g h ARG 191 CO 0.52 0.09 0.36 0.93 2.80 0.00 0.00 179.97 184.67 3f1g h GLU 192 N 0.14 0.95 -0.59 0.20 3.07 -2.03 -2.15 114.58 114.17 3f1g h GLU 192 Ca 0.43 -0.11 0.11 0.00 -0.50 0.00 0.00 59.36 59.29 3f1g h GLU 192 Cb 0.76 -0.19 -0.09 0.00 -0.84 0.00 0.00 28.75 28.40 3f1g h GLU 192 CO -0.63 0.71 0.10 -0.44 -1.40 0.00 0.00 179.01 177.35 3f1g h ASP 193 N 0.96 -0.04 -4.03 1.42 3.32 -1.57 -3.39 116.42 113.08 3f1g h ASP 193 Ca 0.24 0.12 -0.49 0.00 0.02 0.00 0.00 57.03 56.92 3f1g h ASP 193 Cb 0.04 0.17 0.04 0.00 0.22 0.00 0.00 39.33 39.80 3f1g h ASP 193 CO -0.04 -0.01 0.42 -0.76 -1.72 0.00 0.00 179.24 177.14 3f1g s LEU 194 N -10.54 3.94 -0.38 1.55 2.01 -0.81 -5.00 118.68 109.46 3f1g s LEU 194 Ca -0.13 2.09 0.11 0.00 0.01 0.00 0.00 54.13 56.21 3f1g s LEU 194 Cb 0.18 -4.40 0.31 0.00 0.01 0.00 0.00 46.19 42.29 3f1g s LEU 194 CO 0.74 -0.83 0.66 0.00 1.01 0.00 0.00 176.35 177.93 3f1g n ALA 195 N -0.70 2.15 -1.80 4.21 0.00 -1.26 -4.95 120.51 118.16 3f1g n ALA 195 Ca 0.08 -3.40 -0.35 0.00 0.00 0.00 0.00 53.44 49.77 3f1g n ALA 195 Cb 0.50 -0.89 -0.05 0.00 0.00 0.00 0.00 19.45 19.02 3f1g n ALA 195 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3f1g s LEU 196 N -1.99 4.01 0.00 0.00 1.02 -1.26 -4.90 118.68 115.55 3f1g s LEU 196 Ca 0.38 1.89 0.15 0.00 0.02 0.00 0.00 54.13 56.57 3f1g s LEU 196 Cb 0.29 -4.39 0.86 0.00 0.02 0.00 0.00 46.19 42.96 3f1g s LEU 196 CO -0.09 -0.51 1.32 -0.81 0.02 0.00 0.00 176.35 176.28 3f1g n PRO 197 N -0.46 0.42 -1.07 1.29 -0.04 -1.26 -4.78 135.00 129.09 3f1g n PRO 197 Ca 0.07 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 3f1g n PRO 197 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 3f1g n PRO 197 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3f1g n VAL 198 N -1.06 0.00 -3.47 0.52 0.24 -1.26 -5.11 118.33 108.20 3f1g n VAL 198 Ca 0.10 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.28 3f1g n VAL 198 Cb 0.06 -0.78 -0.10 0.00 -1.47 0.00 0.00 33.84 31.55 3f1g n VAL 198 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3f1g s ASN 199 N -0.95 0.52 0.26 -1.34 2.47 -1.26 -5.05 114.94 109.59 3f1g s ASN 199 Ca 0.00 0.24 -0.01 0.00 0.42 0.00 0.00 52.86 53.51 3f1g s ASN 199 Cb 0.00 0.88 0.50 0.00 -1.45 0.00 0.00 41.25 41.18 3f1g s ASN 199 CO 0.00 -0.29 1.80 1.05 -3.72 0.00 0.00 177.10 175.94 3f1g h GLU 200 N 8.23 0.75 -0.16 0.43 9.09 -1.99 -2.25 114.58 128.69 3f1g h GLU 200 Ca -0.18 -0.05 0.04 0.00 0.05 0.00 0.00 59.36 59.23 3f1g h GLU 200 Cb 1.14 -0.17 -0.05 0.00 -1.65 0.00 0.00 28.75 28.03 3f1g h GLU 200 CO 0.24 0.50 -0.12 1.96 0.05 0.00 0.00 179.01 181.63 3f1g h GLN 201 N 0.77 -0.13 -0.86 1.06 1.08 -1.96 0.10 115.11 115.18 3f1g h GLN 201 Ca 0.46 0.01 0.15 0.00 -1.45 0.00 0.00 58.65 57.81 3f1g h GLN 201 Cb 0.53 0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.93 3f1g h GLN 201 CO -0.30 -0.09 0.56 -0.07 -0.95 0.00 0.00 178.83 177.98 3f1g h LEU 202 N -0.13 0.57 -0.13 1.46 -0.00 -1.81 0.96 115.31 116.22 3f1g h LEU 202 Ca 0.10 0.04 -0.18 0.00 -0.00 0.00 0.00 57.88 57.83 3f1g h LEU 202 Cb 0.28 -0.08 0.01 0.00 -0.00 0.00 0.00 40.66 40.87 3f1g h LEU 202 CO -0.24 0.29 -0.64 0.58 -0.00 0.00 0.00 178.44 178.43 3f1g h VAL 203 N 0.60 1.32 -0.40 1.22 2.07 -1.21 -1.07 116.25 118.79 3f1g h VAL 203 Ca 0.43 -1.89 0.08 0.00 0.82 0.00 0.00 66.70 66.14 3f1g h VAL 203 Cb 0.78 2.09 -0.08 0.00 -1.52 0.00 0.00 31.29 32.56 3f1g h VAL 203 CO -0.18 0.59 -0.14 0.40 0.02 0.00 0.00 177.57 178.26 3f1g h ILE 204 N 0.32 0.52 -0.26 4.57 2.04 0.81 -1.66 117.51 123.85 3f1g h ILE 204 Ca -0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.84 3f1g h ILE 204 Cb 1.27 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 3f1g h ILE 204 CO 0.13 0.00 0.10 -0.33 0.00 0.00 0.00 178.15 178.05 3f1g h GLU 205 N -0.05 0.22 -0.94 2.37 5.08 -0.78 -2.28 114.58 118.19 3f1g h GLU 205 Ca 0.20 -0.01 0.23 0.00 -1.00 0.00 0.00 59.36 58.77 3f1g h GLU 205 Cb 0.35 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.48 3f1g h GLU 205 CO -0.44 0.15 0.63 0.35 -1.00 0.00 0.00 179.01 178.69 3f1g h PHE 206 N 0.23 0.50 -0.36 4.33 3.57 -0.26 0.02 116.94 124.97 3f1g h PHE 206 Ca 0.11 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.50 3f1g h PHE 206 Cb 0.07 -0.15 -0.08 0.00 2.79 0.00 0.00 35.95 38.58 3f1g h PHE 206 CO -0.12 0.11 0.16 0.66 -2.23 0.00 0.00 178.31 176.89 3f1g n TYR 207 N -4.50 1.16 -0.07 0.41 0.53 -0.86 -2.88 117.16 110.95 3f1g n TYR 207 Ca 0.21 -0.76 -0.09 0.00 -1.02 0.00 0.00 57.90 56.24 3f1g n TYR 207 Cb 0.78 -0.44 -0.08 0.00 -1.03 0.00 0.00 39.34 38.56 3f1g n TYR 207 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 3f1g n SER 208 N -0.01 2.45 0.00 7.72 7.64 -0.01 -5.08 113.62 126.34 3f1g n SER 208 Ca 0.20 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.03 3f1g n SER 208 Cb 0.87 0.21 0.00 0.00 -1.01 0.00 0.00 64.21 64.28 3f1g n SER 208 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89