#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dut s ILE 2 N 0.00 4.52 0.19 3.17 -1.09 -1.26 -4.96 121.20 121.78 1dut s ILE 2 Ca 0.00 1.81 0.03 0.00 -2.23 0.00 0.00 60.65 60.26 1dut s ILE 2 Cb 0.00 -4.16 -0.05 0.00 -1.58 0.00 0.00 42.46 36.67 1dut s ILE 2 CO 0.00 0.11 -0.01 0.27 -1.23 0.00 0.00 174.94 174.08 1dut s ILE 3 N 1.25 0.85 -0.05 2.92 -4.36 -1.26 -0.69 121.20 119.86 1dut s ILE 3 Ca 0.54 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.93 1dut s ILE 3 Cb -0.24 -2.16 0.03 0.00 1.25 0.00 0.00 42.46 41.33 1dut s ILE 3 CO 0.27 -0.46 -0.01 -0.70 0.24 0.00 0.00 174.94 174.28 1dut s GLU 4 N -3.88 0.57 0.00 0.37 2.12 0.03 -4.96 118.70 112.95 1dut s GLU 4 Ca 0.25 0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.60 1dut s GLU 4 Cb 0.05 -0.74 0.00 0.00 0.26 0.00 0.00 34.13 33.71 1dut s GLU 4 CO 0.05 -0.16 0.00 0.41 -0.54 0.00 0.00 175.26 175.02 1dut n GLY 5 N 4.38 3.04 0.47 -1.50 0.00 -1.26 -1.70 105.19 108.63 1dut n GLY 5 Ca -0.20 -1.99 0.07 0.00 0.00 0.00 0.00 46.02 43.89 1dut n GLY 5 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1dut n ASP 6 N 0.00 2.95 -0.76 1.61 5.75 -1.26 -4.64 116.55 120.20 1dut n ASP 6 Ca 0.00 -2.63 0.03 0.00 -0.01 0.00 0.00 54.79 52.18 1dut n ASP 6 Cb 0.00 -0.35 0.14 0.00 -1.03 0.00 0.00 41.12 39.87 1dut n ASP 6 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dut n GLY 7 N -0.52 1.16 2.86 6.12 0.00 -1.25 -4.78 105.19 108.79 1dut n GLY 7 Ca 0.14 -0.32 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 1dut n GLY 7 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1dut s ILE 8 N -1.64 0.21 0.14 -0.61 2.07 -1.26 -1.32 121.20 118.79 1dut s ILE 8 Ca 0.19 -0.01 0.05 0.00 -1.41 0.00 0.00 60.65 59.47 1dut s ILE 8 Cb 0.12 -0.25 -0.04 0.00 0.13 0.00 0.00 42.46 42.43 1dut s ILE 8 CO 0.09 0.11 0.10 -0.76 -1.91 0.00 0.00 174.94 172.57 1dut s LEU 9 N 0.54 3.72 0.39 8.50 1.43 -0.98 -5.03 118.68 127.25 1dut s LEU 9 Ca -0.05 -0.14 -0.27 0.00 -1.03 0.00 0.00 54.13 52.64 1dut s LEU 9 Cb -0.08 -2.36 -0.09 0.00 0.03 0.00 0.00 46.19 43.69 1dut s LEU 9 CO -0.01 0.10 1.29 -1.81 0.23 0.00 0.00 176.35 176.15 1dut s ASP 10 N -2.88 6.45 0.28 2.29 1.01 -1.26 -4.25 116.67 118.32 1dut s ASP 10 Ca 0.30 2.63 0.09 0.00 0.71 0.00 0.00 52.55 56.28 1dut s ASP 10 Cb -0.11 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.14 1dut s ASP 10 CO 0.22 -0.75 0.01 -1.59 0.21 0.00 0.00 175.17 173.27 1dut s LYS 11 N -2.13 2.27 0.46 8.23 -2.85 -1.26 -4.91 119.74 119.56 1dut s LYS 11 Ca 0.55 -1.46 -0.22 0.00 -1.00 0.00 0.00 55.97 53.84 1dut s LYS 11 Cb -0.38 -2.14 -0.08 0.00 -2.06 0.00 0.00 37.83 33.17 1dut s LYS 11 CO 0.49 0.33 1.09 1.03 0.10 0.00 0.00 175.35 178.39 1dut s ARG 12 N -3.69 3.85 0.46 1.78 0.52 -1.26 -4.93 118.95 115.68 1dut s ARG 12 Ca 0.32 1.56 0.25 0.00 -0.52 0.00 0.00 55.73 57.34 1dut s ARG 12 Cb -0.06 -2.32 1.27 0.00 0.52 0.00 0.00 34.95 34.36 1dut s ARG 12 CO 0.20 -0.43 1.83 0.77 0.02 0.00 0.00 175.30 177.69 1dut h SER 13 N 1.96 0.25 1.44 0.23 0.02 -2.01 0.32 113.55 115.75 1dut h SER 13 Ca -0.49 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.45 1dut h SER 13 Cb 1.23 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1dut h SER 13 CO 0.60 0.07 -0.19 1.05 -1.14 0.00 0.00 176.83 177.22 1dut h GLU 14 N 0.23 0.00 -7.00 3.45 4.11 -2.03 -3.46 114.58 109.89 1dut h GLU 14 Ca 0.51 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 59.46 1dut h GLU 14 Cb 1.58 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.85 1dut h GLU 14 CO -0.14 0.19 0.40 -0.51 0.07 0.00 0.00 179.01 179.03 1dut s ASP 15 N -6.20 6.62 0.06 3.06 1.01 0.10 -4.97 116.67 116.35 1dut s ASP 15 Ca 0.04 1.99 0.02 0.00 0.71 0.00 0.00 52.55 55.31 1dut s ASP 15 Cb 0.08 -2.58 -0.25 0.00 1.01 0.00 0.00 42.92 41.18 1dut s ASP 15 CO 0.66 -0.59 1.06 0.00 0.21 0.00 0.00 175.17 176.51 1dut h ALA 16 N 2.17 0.33 -2.41 5.23 0.00 -1.89 -3.46 119.26 119.23 1dut h ALA 16 Ca -0.49 -1.03 -0.31 0.00 0.00 0.00 0.00 54.91 53.08 1dut h ALA 16 Cb 1.22 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.94 1dut h ALA 16 CO 0.61 1.20 -0.62 0.20 0.00 0.00 0.00 179.25 180.65 1dut s GLY 17 N -4.81 1.63 -0.13 0.00 0.00 -1.26 -4.50 107.32 98.24 1dut s GLY 17 Ca -0.03 -1.81 -0.10 0.00 0.00 0.00 0.00 44.72 42.78 1dut s GLY 17 CO 0.84 -1.53 0.19 -0.19 0.00 0.00 0.00 173.10 172.41 1dut s TYR 18 N -3.87 3.55 0.25 1.90 1.51 -0.74 -4.82 117.35 115.13 1dut s TYR 18 Ca 0.38 0.54 -0.30 0.00 -1.01 0.00 0.00 57.07 56.68 1dut s TYR 18 Cb 0.08 -2.09 -0.09 0.00 -0.11 0.00 0.00 41.96 39.75 1dut s TYR 18 CO 0.13 0.55 1.10 -0.51 -1.11 0.00 0.00 175.55 175.70 1dut s ASP 19 N -0.48 7.28 -0.02 2.29 1.01 -1.26 -1.45 116.67 124.03 1dut s ASP 19 Ca 0.14 2.22 0.03 0.00 0.71 0.00 0.00 52.55 55.65 1dut s ASP 19 Cb -0.12 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.15 1dut s ASP 19 CO 0.03 -0.15 -0.10 -0.76 0.21 0.00 0.00 175.17 174.40 1dut s LEU 20 N -1.16 3.00 -0.01 1.23 1.02 0.53 -2.31 118.68 120.97 1dut s LEU 20 Ca 0.46 -0.17 0.06 0.00 0.02 0.00 0.00 54.13 54.50 1dut s LEU 20 Cb -0.31 -1.69 -0.03 0.00 0.02 0.00 0.00 46.19 44.18 1dut s LEU 20 CO 0.39 0.31 -0.19 -0.76 0.02 0.00 0.00 176.35 176.13 1dut s LEU 21 N -1.13 2.51 0.15 1.79 1.02 -0.43 -1.06 118.68 121.53 1dut s LEU 21 Ca 0.14 -0.34 -0.31 0.00 0.02 0.00 0.00 54.13 53.65 1dut s LEU 21 Cb -0.11 -1.48 -0.08 0.00 0.02 0.00 0.00 46.19 44.54 1dut s LEU 21 CO 0.04 0.31 1.36 0.00 0.02 0.00 0.00 176.35 178.08 1dut s ALA 22 N -0.76 3.56 -0.96 4.21 0.00 -0.24 -4.41 121.76 123.17 1dut s ALA 22 Ca 0.12 1.12 0.28 0.00 0.00 0.00 0.00 51.96 53.48 1dut s ALA 22 Cb -0.10 -3.52 1.14 0.00 0.00 0.00 0.00 23.12 20.64 1dut s ALA 22 CO 0.01 -0.59 1.88 0.00 0.00 0.00 0.00 175.76 177.07 1dut n ALA 23 N 3.39 2.38 -3.56 0.00 0.00 0.14 0.88 120.51 123.75 1dut n ALA 23 Ca 0.09 -0.10 -0.08 0.00 0.00 0.00 0.00 53.44 53.35 1dut n ALA 23 Cb 0.42 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 1dut n ALA 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1dut s LYS 24 N -3.02 1.09 0.21 0.00 -2.85 -1.26 -4.75 119.74 109.15 1dut s LYS 24 Ca 0.13 -0.47 -0.30 0.00 -1.00 0.00 0.00 55.97 54.33 1dut s LYS 24 Cb 0.18 0.46 -0.09 0.00 -2.06 0.00 0.00 37.83 36.31 1dut s LYS 24 CO 0.55 -0.48 1.39 -2.00 0.10 0.00 0.00 175.35 174.91 1dut s GLU 25 N -3.38 4.32 -0.02 1.78 2.12 -1.26 -4.44 118.70 117.82 1dut s GLU 25 Ca 0.06 2.18 0.03 0.00 0.36 0.00 0.00 54.97 57.61 1dut s GLU 25 Cb -0.01 -3.16 -0.00 0.00 0.26 0.00 0.00 34.13 31.21 1dut s GLU 25 CO -0.07 -0.37 -0.11 0.42 -0.54 0.00 0.00 175.26 174.59 1dut s ILE 26 N 0.27 0.93 -0.12 -3.70 -1.09 -0.08 -4.96 121.20 112.45 1dut s ILE 26 Ca 0.60 -0.48 0.01 0.00 -2.23 0.00 0.00 60.65 58.55 1dut s ILE 26 Cb -0.39 -0.80 -0.01 0.00 -1.58 0.00 0.00 42.46 39.68 1dut s ILE 26 CO 0.39 0.27 -0.16 -1.00 -1.23 0.00 0.00 174.94 173.22 1dut s HIS 27 N -0.07 2.75 -0.15 3.97 3.76 -1.26 0.04 115.29 124.33 1dut s HIS 27 Ca 0.01 -0.73 -0.00 0.00 -0.15 0.00 0.00 55.06 54.19 1dut s HIS 27 Cb -0.07 -1.81 0.03 0.00 1.11 0.00 0.00 32.58 31.84 1dut s HIS 27 CO 0.00 -0.25 -0.07 -0.51 -0.85 0.00 0.00 174.74 173.05 1dut s LEU 28 N 0.33 1.52 0.62 0.89 1.43 0.17 -5.00 118.68 118.65 1dut s LEU 28 Ca -0.13 -0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 52.36 1dut s LEU 28 Cb -0.16 -0.94 0.01 0.00 0.03 0.00 0.00 46.19 45.12 1dut s LEU 28 CO 0.06 -0.14 0.96 -0.76 0.23 0.00 0.00 176.35 176.70 1dut s LEU 29 N 1.63 3.15 0.08 1.79 1.43 -1.26 -1.16 118.68 124.32 1dut s LEU 29 Ca 0.03 0.86 -0.34 0.00 -1.03 0.00 0.00 54.13 53.64 1dut s LEU 29 Cb -0.14 -3.69 -0.14 0.00 0.03 0.00 0.00 46.19 42.25 1dut s LEU 29 CO -0.08 -1.13 1.64 -2.65 0.23 0.00 0.00 176.35 174.36 1dut n PRO 30 N -2.70 2.06 -0.52 1.29 -0.02 -1.26 -1.27 135.00 132.58 1dut n PRO 30 Ca 0.05 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1dut n PRO 30 Cb 0.57 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1dut n PRO 30 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dut n GLY 31 N 3.63 1.17 3.77 -1.23 0.00 0.49 -5.02 105.19 108.00 1dut n GLY 31 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1dut n GLY 31 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dut s GLU 32 N -0.30 4.60 -0.09 1.61 2.02 -0.39 -4.85 118.70 121.29 1dut s GLU 32 Ca 0.00 1.20 0.03 0.00 0.02 0.00 0.00 54.97 56.22 1dut s GLU 32 Cb 0.00 -3.23 -0.02 0.00 0.10 0.00 0.00 34.13 30.98 1dut s GLU 32 CO 0.00 0.55 -0.17 0.08 0.02 0.00 0.00 175.26 175.74 1dut s VAL 33 N -1.19 2.78 0.00 2.63 1.01 -1.26 -2.26 120.40 122.11 1dut s VAL 33 Ca 0.37 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 1dut s VAL 33 Cb -0.23 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 1dut s VAL 33 CO 0.27 0.56 0.06 -0.54 0.00 0.00 0.00 175.10 175.45 1dut s LYS 34 N -0.09 0.36 -0.46 2.72 1.02 -0.59 -4.98 119.74 117.71 1dut s LYS 34 Ca -0.03 -0.40 -0.17 0.00 0.02 0.00 0.00 55.97 55.39 1dut s LYS 34 Cb -0.14 0.14 0.04 0.00 -0.52 0.00 0.00 37.83 37.36 1dut s LYS 34 CO 0.04 -0.07 0.47 0.08 -0.92 0.00 0.00 175.35 174.95 1dut s VAL 35 N -1.19 5.07 -0.22 3.17 1.01 -1.26 -1.26 120.40 125.72 1dut s VAL 35 Ca -0.13 -0.58 -0.25 0.00 0.00 0.00 0.00 61.98 61.02 1dut s VAL 35 Cb -0.07 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 1dut s VAL 35 CO 0.00 -0.56 0.85 -0.63 0.00 0.00 0.00 175.10 174.76 1dut s ILE 36 N 2.13 4.84 0.33 2.22 1.01 0.48 -4.83 121.20 127.39 1dut s ILE 36 Ca 0.11 1.63 -0.27 0.00 0.00 0.00 0.00 60.65 62.11 1dut s ILE 36 Cb -0.19 -4.14 -0.09 0.00 0.01 0.00 0.00 42.46 38.04 1dut s ILE 36 CO 0.11 -0.05 1.08 -2.16 0.00 0.00 0.00 174.94 173.93 1dut s PRO 37 N 2.64 4.43 -0.00 2.79 0.04 -1.26 -0.30 135.00 143.33 1dut s PRO 37 Ca 0.37 1.69 0.05 0.00 0.04 0.00 0.00 61.00 63.15 1dut s PRO 37 Cb -0.16 -2.92 -0.06 0.00 0.04 0.00 0.00 34.50 31.40 1dut s PRO 37 CO 0.09 0.05 0.15 0.25 0.04 0.00 0.00 177.00 177.58 1dut n THR 38 N 0.65 0.00 -0.57 1.26 -2.24 -1.05 -0.68 114.28 111.65 1dut n THR 38 Ca 0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1dut n THR 38 Cb 0.47 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1dut n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dut n GLY 39 N 1.68 1.61 3.90 3.38 0.00 -1.26 -3.94 105.19 110.55 1dut n GLY 39 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1dut n GLY 39 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1dut s VAL 40 N -3.33 5.38 0.12 1.61 -7.23 -1.26 -4.53 120.40 111.16 1dut s VAL 40 Ca 0.00 -0.01 0.07 0.00 -1.81 0.00 0.00 61.98 60.23 1dut s VAL 40 Cb 0.00 -3.55 -0.04 0.00 0.56 0.00 0.00 36.38 33.36 1dut s VAL 40 CO 0.00 0.34 -0.18 -0.54 -0.31 0.00 0.00 175.10 174.41 1dut s LYS 41 N -1.85 1.11 0.18 4.82 1.02 -0.69 -0.56 119.74 123.76 1dut s LYS 41 Ca 0.27 -1.22 -0.14 0.00 0.02 0.00 0.00 55.97 54.90 1dut s LYS 41 Cb -0.13 -1.21 0.01 0.00 -0.52 0.00 0.00 37.83 35.99 1dut s LYS 41 CO 0.17 0.26 0.42 -0.48 -0.92 0.00 0.00 175.35 174.80 1dut s LEU 42 N -2.20 0.45 -0.34 3.17 0.05 -1.26 -0.79 118.68 117.76 1dut s LEU 42 Ca 0.08 -0.61 0.01 0.00 0.05 0.00 0.00 54.13 53.67 1dut s LEU 42 Cb -0.08 1.76 0.09 0.00 -2.05 0.00 0.00 46.19 45.91 1dut s LEU 42 CO 0.04 -0.97 0.06 -0.04 -0.55 0.00 0.00 176.35 174.89 1dut s MET 43 N -3.90 1.86 0.49 1.48 -1.94 0.13 -4.66 119.30 112.77 1dut s MET 43 Ca 0.11 -1.70 -0.22 0.00 -1.71 0.00 0.00 55.69 52.18 1dut s MET 43 Cb 0.01 -3.25 -0.07 0.00 2.01 0.00 0.00 34.83 33.53 1dut s MET 43 CO -0.03 -0.87 1.15 -0.51 -0.01 0.00 0.00 175.02 174.75 1dut s LEU 44 N 1.04 3.91 0.44 -0.03 1.43 -1.26 -4.15 118.68 120.06 1dut s LEU 44 Ca 0.05 2.26 -0.25 0.00 -1.03 0.00 0.00 54.13 55.17 1dut s LEU 44 Cb -0.20 -4.37 -0.08 0.00 0.03 0.00 0.00 46.19 41.57 1dut s LEU 44 CO -0.06 -1.05 1.29 -2.16 0.23 0.00 0.00 176.35 174.61 1dut s PRO 45 N -2.93 3.78 0.24 1.29 0.04 -1.26 -4.94 135.00 131.23 1dut s PRO 45 Ca 0.67 2.11 -0.31 0.00 0.04 0.00 0.00 61.00 63.51 1dut s PRO 45 Cb -0.27 -2.61 -0.12 0.00 0.04 0.00 0.00 34.50 31.54 1dut s PRO 45 CO 0.32 -0.63 1.68 1.63 0.04 0.00 0.00 177.00 180.03 1dut n LYS 46 N -0.19 2.76 0.00 4.56 5.02 -1.26 -2.72 118.16 126.33 1dut n LYS 46 Ca 0.05 0.99 0.00 0.00 -2.02 0.00 0.00 58.31 57.33 1dut n LYS 46 Cb 0.45 -2.81 0.00 0.00 -0.02 0.00 0.00 35.03 32.64 1dut n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dut n GLY 47 N 3.23 0.56 3.33 0.72 0.00 -1.26 -5.08 105.19 106.69 1dut n GLY 47 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 1dut n GLY 47 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dut s TYR 48 N -2.00 1.58 0.18 1.61 2.02 -1.10 -0.85 117.35 118.79 1dut s TYR 48 Ca 0.00 -1.17 -0.03 0.00 -0.37 0.00 0.00 57.07 55.51 1dut s TYR 48 Cb 0.00 -0.93 -0.03 0.00 -0.40 0.00 0.00 41.96 40.59 1dut s TYR 48 CO 0.00 -0.31 0.15 1.67 -1.57 0.00 0.00 175.55 175.49 1dut s TRP 49 N -3.72 0.95 -0.05 2.71 1.48 0.05 -3.92 118.94 116.45 1dut s TRP 49 Ca 0.38 -1.23 0.06 0.00 -1.06 0.00 0.00 56.10 54.24 1dut s TRP 49 Cb 0.08 -0.43 -0.02 0.00 -1.16 0.00 0.00 33.47 31.94 1dut s TRP 49 CO 0.14 -0.64 -0.22 0.20 -4.06 0.00 0.00 176.95 172.37 1dut s GLY 50 N -3.10 1.36 -0.19 3.67 0.00 0.04 -1.47 107.32 107.63 1dut s GLY 50 Ca 0.32 -1.05 -0.04 0.00 0.00 0.00 0.00 44.72 43.95 1dut s GLY 50 CO 0.08 -0.76 -0.02 -2.27 0.00 0.00 0.00 173.10 170.13 1dut s LEU 51 N -0.45 3.19 -0.22 0.66 2.96 0.60 -0.90 118.68 124.52 1dut s LEU 51 Ca 0.05 -0.21 -0.11 0.00 -0.22 0.00 0.00 54.13 53.64 1dut s LEU 51 Cb -0.12 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 1dut s LEU 51 CO 0.01 0.08 0.17 -0.63 -1.32 0.00 0.00 176.35 174.67 1dut s ILE 52 N 0.89 5.36 0.04 6.68 1.01 -0.59 -0.57 121.20 134.02 1dut s ILE 52 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.90 1dut s ILE 52 Cb -0.14 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 1dut s ILE 52 CO 0.02 0.38 -0.04 -0.51 0.00 0.00 0.00 174.94 174.78 1dut s ILE 53 N 0.78 0.23 0.39 2.92 2.07 -0.27 -4.69 121.20 122.64 1dut s ILE 53 Ca 0.09 -1.24 -0.24 0.00 -1.41 0.00 0.00 60.65 57.85 1dut s ILE 53 Cb -0.13 -0.74 -0.10 0.00 0.13 0.00 0.00 42.46 41.63 1dut s ILE 53 CO 0.02 -0.64 0.99 -0.83 -1.91 0.00 0.00 174.94 172.57 1dut s GLY 54 N -1.98 2.65 0.34 1.50 0.00 -1.26 -0.88 107.32 107.70 1dut s GLY 54 Ca -0.07 0.57 -0.26 0.00 0.00 0.00 0.00 44.72 44.96 1dut s GLY 54 CO -0.04 0.96 1.02 0.54 0.00 0.00 0.00 173.10 175.58 1dut s LYS 55 N -2.59 4.42 0.32 2.90 1.02 -1.26 -4.81 119.74 119.74 1dut s LYS 55 Ca 0.57 1.52 0.01 0.00 0.02 0.00 0.00 55.97 58.09 1dut s LYS 55 Cb -0.17 -2.79 0.53 0.00 -0.52 0.00 0.00 37.83 34.88 1dut s LYS 55 CO 0.22 0.09 1.92 0.66 -0.92 0.00 0.00 175.35 177.32 1dut h SER 56 N 3.05 0.74 -0.56 2.83 4.64 -1.97 0.30 113.55 122.58 1dut h SER 56 Ca -0.47 -0.07 0.04 0.00 -0.47 0.00 0.00 61.79 60.81 1dut h SER 56 Cb 1.21 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 63.07 1dut h SER 56 CO 0.64 0.63 0.31 0.77 -0.87 0.00 0.00 176.83 178.32 1dut h SER 57 N 0.82 0.48 0.81 4.97 4.64 -1.97 -1.82 113.55 121.48 1dut h SER 57 Ca 0.20 0.02 -0.24 0.00 -0.47 0.00 0.00 61.79 61.30 1dut h SER 57 Cb 0.09 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.07 1dut h SER 57 CO -0.03 0.33 -1.27 0.16 -0.87 0.00 0.00 176.83 175.16 1dut h ILE 58 N 0.61 1.34 -0.18 0.95 3.07 -1.76 -3.32 117.51 118.22 1dut h ILE 58 Ca 0.24 -3.09 -0.03 0.00 1.55 0.00 0.00 64.86 63.53 1dut h ILE 58 Cb 0.09 2.66 -0.01 0.00 -0.27 0.00 0.00 36.82 39.29 1dut h ILE 58 CO -0.14 0.76 -0.02 1.23 -1.05 0.00 0.00 178.15 178.94 1dut h GLY 59 N 3.22 0.28 2.00 0.16 0.00 -0.27 -1.12 103.07 107.33 1dut h GLY 59 Ca -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1dut h GLY 59 CO 0.11 0.13 0.00 -1.14 0.00 0.00 0.00 176.54 175.64 1dut n SER 60 N -4.37 0.09 -0.16 0.19 3.41 -0.70 -1.18 113.62 110.90 1dut n SER 60 Ca -0.00 0.52 0.13 0.00 -0.26 0.00 0.00 58.87 59.25 1dut n SER 60 Cb 0.19 -0.54 0.35 0.00 -0.26 0.00 0.00 64.21 63.96 1dut n SER 60 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1dut n LYS 61 N -1.59 0.57 -1.09 4.33 4.01 -0.43 -4.95 118.16 119.01 1dut n LYS 61 Ca 0.05 -0.33 0.00 0.00 -0.51 0.00 0.00 58.31 57.52 1dut n LYS 61 Cb 0.25 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.28 1dut n LYS 61 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1dut n GLY 62 N 1.39 1.12 3.45 0.72 0.00 -0.33 -4.77 105.19 106.77 1dut n GLY 62 Ca 0.10 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 1dut n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dut s LEU 63 N -0.11 2.90 0.24 0.99 1.02 -1.21 -1.69 118.68 120.82 1dut s LEU 63 Ca 0.00 -0.22 0.11 0.00 0.02 0.00 0.00 54.13 54.04 1dut s LEU 63 Cb 0.00 -1.65 -0.05 0.00 0.02 0.00 0.00 46.19 44.52 1dut s LEU 63 CO 0.00 0.22 -0.13 -0.62 0.02 0.00 0.00 176.35 175.85 1dut s ASP 64 N 0.01 3.99 -0.18 2.29 2.15 -0.27 -4.22 116.67 120.44 1dut s ASP 64 Ca -0.03 -0.80 -0.07 0.00 0.43 0.00 0.00 52.55 52.09 1dut s ASP 64 Cb -0.14 -0.55 -0.04 0.00 -0.30 0.00 0.00 42.92 41.90 1dut s ASP 64 CO 0.04 0.05 0.05 -0.69 -0.17 0.00 0.00 175.17 174.45 1dut s VAL 65 N -2.16 4.71 0.21 1.11 1.01 -1.26 -1.91 120.40 122.10 1dut s VAL 65 Ca 0.28 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.27 1dut s VAL 65 Cb -0.07 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1dut s VAL 65 CO 0.16 0.46 0.10 -0.76 0.00 0.00 0.00 175.10 175.06 1dut s LEU 66 N 0.37 3.58 0.00 3.92 1.02 -0.40 -4.95 118.68 122.22 1dut s LEU 66 Ca 0.02 -0.32 0.00 0.00 0.02 0.00 0.00 54.13 53.85 1dut s LEU 66 Cb -0.12 -2.16 0.00 0.00 0.02 0.00 0.00 46.19 43.92 1dut s LEU 66 CO 0.00 0.03 0.00 0.61 0.02 0.00 0.00 176.35 177.01 1dut n GLY 67 N -0.63 2.54 0.00 -3.19 0.00 -1.26 -4.43 105.19 98.22 1dut n GLY 67 Ca -0.08 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1dut n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dut n GLY 68 N 0.00 1.53 3.44 -0.02 0.00 -1.26 -4.93 105.19 103.96 1dut n GLY 68 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1dut n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dut s VAL 69 N -2.00 4.15 -0.26 1.61 1.01 -1.26 -1.54 120.40 122.11 1dut s VAL 69 Ca 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 1dut s VAL 69 Cb 0.00 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.47 1dut s VAL 69 CO 0.00 0.38 0.01 -0.63 0.00 0.00 0.00 175.10 174.86 1dut s ILE 70 N 1.37 3.58 0.45 2.22 -1.09 -0.08 -4.99 121.20 122.65 1dut s ILE 70 Ca 0.05 -0.68 -0.20 0.00 -2.23 0.00 0.00 60.65 57.59 1dut s ILE 70 Cb -0.15 -2.77 -0.10 0.00 -1.58 0.00 0.00 42.46 37.86 1dut s ILE 70 CO 0.02 0.22 0.97 -1.81 -1.23 0.00 0.00 174.94 173.11 1dut s ASP 71 N 1.46 6.81 0.44 3.58 1.01 -1.26 -0.78 116.67 127.94 1dut s ASP 71 Ca 0.03 1.71 0.24 0.00 0.71 0.00 0.00 52.55 55.23 1dut s ASP 71 Cb -0.16 -2.54 1.24 0.00 1.01 0.00 0.00 42.92 42.47 1dut s ASP 71 CO -0.01 -0.45 1.80 -0.08 0.21 0.00 0.00 175.17 176.64 1dut h GLU 72 N 1.73 0.26 -0.00 8.23 4.81 -1.94 0.58 114.58 128.25 1dut h GLU 72 Ca -0.49 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1dut h GLU 72 Cb 1.19 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1dut h GLU 72 CO 0.61 0.17 -0.02 0.41 -0.73 0.00 0.00 179.01 179.45 1dut n GLY 73 N -1.56 -1.00 3.70 1.92 0.00 -1.26 -4.24 105.19 102.75 1dut n GLY 73 Ca 0.24 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1dut n GLY 73 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1dut s TYR 74 N -2.28 3.04 -0.03 1.61 5.04 0.19 -4.89 117.35 120.03 1dut s TYR 74 Ca 0.37 0.86 0.00 0.00 -2.44 0.00 0.00 57.07 55.86 1dut s TYR 74 Cb 0.21 -3.69 -0.00 0.00 0.35 0.00 0.00 41.96 38.83 1dut s TYR 74 CO 0.42 -2.50 0.19 0.54 -1.34 0.00 0.00 175.55 172.86 1dut n ARG 75 N 4.60 4.11 -1.73 4.97 5.12 -1.26 -4.72 116.66 127.74 1dut n ARG 75 Ca 0.12 -0.19 -0.30 0.00 -1.93 0.00 0.00 57.85 55.56 1dut n ARG 75 Cb 0.43 -0.69 0.22 0.00 -1.16 0.00 0.00 32.46 31.25 1dut n ARG 75 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1dut s GLY 76 N -0.68 1.77 0.41 -0.13 0.00 -1.26 -4.73 107.32 102.70 1dut s GLY 76 Ca 0.00 -1.25 -0.24 0.00 0.00 0.00 0.00 44.72 43.23 1dut s GLY 76 CO 0.01 -0.40 1.12 1.85 0.00 0.00 0.00 173.10 175.67 1dut s GLU 77 N -5.85 4.03 -0.19 2.90 2.12 -1.26 -4.57 118.70 115.88 1dut s GLU 77 Ca 0.75 1.68 -0.26 0.00 0.36 0.00 0.00 54.97 57.51 1dut s GLU 77 Cb -0.04 -2.55 -0.01 0.00 0.26 0.00 0.00 34.13 31.79 1dut s GLU 77 CO 0.54 -0.30 0.87 0.42 -0.54 0.00 0.00 175.26 176.25 1dut s ILE 78 N -1.55 4.84 0.02 -3.70 1.01 0.28 -4.99 121.20 117.11 1dut s ILE 78 Ca 0.59 1.69 0.07 0.00 0.00 0.00 0.00 60.65 63.00 1dut s ILE 78 Cb -0.26 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.01 1dut s ILE 78 CO 0.33 -0.02 -0.21 -0.83 0.00 0.00 0.00 174.94 174.21 1dut s GLY 79 N 1.21 1.48 -0.20 6.18 0.00 -1.26 -2.52 107.32 112.20 1dut s GLY 79 Ca 0.39 -1.17 -0.05 0.00 0.00 0.00 0.00 44.72 43.89 1dut s GLY 79 CO 0.11 -1.03 0.01 0.14 0.00 0.00 0.00 173.10 172.33 1dut s VAL 80 N -0.81 4.04 -0.38 1.40 1.01 0.59 -4.87 120.40 121.37 1dut s VAL 80 Ca 0.13 -0.29 -0.27 0.00 0.00 0.00 0.00 61.98 61.55 1dut s VAL 80 Cb -0.10 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.47 1dut s VAL 80 CO 0.03 0.43 1.00 -0.63 0.00 0.00 0.00 175.10 175.92 1dut s ILE 81 N 0.92 4.50 0.05 2.22 1.01 -1.26 -0.39 121.20 128.24 1dut s ILE 81 Ca 0.01 1.31 0.09 0.00 0.00 0.00 0.00 60.65 62.06 1dut s ILE 81 Cb -0.14 -4.40 -0.03 0.00 0.01 0.00 0.00 42.46 37.90 1dut s ILE 81 CO 0.02 -0.61 -0.25 -0.04 0.00 0.00 0.00 174.94 174.06 1dut s MET 82 N 3.69 1.68 0.05 2.79 -1.94 -0.39 -1.28 119.30 123.90 1dut s MET 82 Ca 0.41 -1.07 0.05 0.00 -1.71 0.00 0.00 55.69 53.37 1dut s MET 82 Cb -0.11 -1.85 -0.02 0.00 2.01 0.00 0.00 34.83 34.86 1dut s MET 82 CO 0.20 0.48 -0.14 0.42 -0.01 0.00 0.00 175.02 175.97 1dut s ILE 83 N -0.81 1.09 -0.59 2.53 1.09 -0.80 -1.55 121.20 122.16 1dut s ILE 83 Ca 0.11 -1.12 -0.18 0.00 -1.10 0.00 0.00 60.65 58.35 1dut s ILE 83 Cb -0.10 -1.02 0.11 0.00 -1.06 0.00 0.00 42.46 40.39 1dut s ILE 83 CO 0.02 -0.10 0.67 0.21 -0.10 0.00 0.00 174.94 175.64 1dut s ASN 84 N -1.39 6.20 0.00 3.58 3.84 -0.96 -1.12 114.94 125.09 1dut s ASN 84 Ca -0.00 -1.53 0.23 0.00 0.21 0.00 0.00 52.86 51.76 1dut s ASN 84 Cb -0.09 -2.28 0.67 0.00 -0.55 0.00 0.00 41.25 39.00 1dut s ASN 84 CO 0.02 -1.06 1.52 1.33 -2.79 0.00 0.00 177.10 176.12 1dut n VAL 85 N 5.47 0.22 -2.36 -5.21 0.24 -0.68 -0.38 118.33 115.63 1dut n VAL 85 Ca -0.10 -0.43 -0.26 0.00 -2.04 0.00 0.00 64.34 61.51 1dut n VAL 85 Cb 0.42 0.62 0.14 0.00 -1.47 0.00 0.00 33.84 33.55 1dut n VAL 85 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1dut s SER 86 N -1.65 3.82 -0.17 -1.34 1.04 -1.12 -4.94 113.70 109.34 1dut s SER 86 Ca 0.34 -0.19 0.16 0.00 0.48 0.00 0.00 55.95 56.74 1dut s SER 86 Cb 0.19 -0.03 0.71 0.00 0.10 0.00 0.00 66.02 67.00 1dut s SER 86 CO 0.29 -2.24 1.63 0.54 0.98 0.00 0.00 173.24 174.44 1dut n ARG 87 N -3.20 4.03 -4.53 4.02 5.12 -1.26 -4.50 116.66 116.34 1dut n ARG 87 Ca 0.16 -2.96 -0.22 0.00 -1.93 0.00 0.00 57.85 52.90 1dut n ARG 87 Cb 0.60 -2.00 -0.14 0.00 -1.16 0.00 0.00 32.46 29.76 1dut n ARG 87 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 1dut s LYS 88 N -2.33 1.14 0.35 5.56 0.00 -1.26 -4.89 119.74 118.31 1dut s LYS 88 Ca 0.50 -0.76 -0.28 0.00 0.00 0.00 0.00 55.97 55.43 1dut s LYS 88 Cb 0.36 -1.17 -0.10 0.00 0.00 0.00 0.00 37.83 36.92 1dut s LYS 88 CO 0.18 0.30 1.29 0.45 0.00 0.00 0.00 175.35 177.58 1dut s SER 89 N -0.96 6.67 0.03 0.03 0.15 -1.26 -4.48 113.70 113.88 1dut s SER 89 Ca 0.04 2.65 0.03 0.00 0.70 0.00 0.00 55.95 59.37 1dut s SER 89 Cb -0.08 -2.64 -0.02 0.00 -1.71 0.00 0.00 66.02 61.57 1dut s SER 89 CO 0.01 -0.60 -0.09 -0.63 1.20 0.00 0.00 173.24 173.13 1dut s ILE 90 N -1.18 0.64 -0.14 6.45 1.01 -0.31 -4.99 121.20 122.66 1dut s ILE 90 Ca 0.51 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1dut s ILE 90 Cb -0.39 -0.63 0.01 0.00 0.01 0.00 0.00 42.46 41.46 1dut s ILE 90 CO 0.51 -0.17 -0.20 -0.89 0.00 0.00 0.00 174.94 174.19 1dut s THR 91 N -0.93 2.24 -0.25 2.92 2.01 -1.26 -0.66 115.64 119.70 1dut s THR 91 Ca -0.04 -0.92 -0.11 0.00 0.31 0.00 0.00 61.69 60.93 1dut s THR 91 Cb -0.07 -1.91 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 1dut s THR 91 CO 0.00 0.54 0.18 -0.76 -0.69 0.00 0.00 174.62 173.89 1dut s LEU 92 N 0.79 4.08 0.56 4.42 1.02 0.11 -4.96 118.68 124.69 1dut s LEU 92 Ca -0.07 0.07 -0.15 0.00 0.02 0.00 0.00 54.13 54.00 1dut s LEU 92 Cb -0.16 -2.12 -0.06 0.00 0.02 0.00 0.00 46.19 43.87 1dut s LEU 92 CO -0.01 0.02 1.01 0.00 0.02 0.00 0.00 176.35 177.39 1dut s MET 93 N 1.33 3.75 0.35 1.70 0.00 -1.26 -0.91 119.30 124.26 1dut s MET 93 Ca 0.08 0.93 -0.29 0.00 0.00 0.00 0.00 55.69 56.41 1dut s MET 93 Cb -0.14 -2.10 -0.11 0.00 0.00 0.00 0.00 34.83 32.47 1dut s MET 93 CO 0.07 -0.44 1.51 -1.91 0.00 0.00 0.00 175.02 174.24 1dut n GLU 94 N -1.98 2.65 -1.80 3.16 2.13 -1.26 -1.74 120.64 121.79 1dut n GLU 94 Ca 0.07 0.93 -0.18 0.00 0.66 0.00 0.00 57.16 58.64 1dut n GLU 94 Cb 0.54 -2.67 -0.05 0.00 0.27 0.00 0.00 31.44 29.53 1dut n GLU 94 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1dut n ARG 95 N 0.91 -1.28 -2.74 5.31 1.74 0.26 -4.94 116.66 115.91 1dut n ARG 95 Ca 0.03 1.02 -0.37 0.00 -0.77 0.00 0.00 57.85 57.77 1dut n ARG 95 Cb 0.38 -5.35 -0.06 0.00 -1.02 0.00 0.00 32.46 26.41 1dut n ARG 95 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1dut s GLN 96 N -3.98 4.50 -0.26 5.56 0.74 -0.71 -4.63 119.66 120.88 1dut s GLN 96 Ca 0.00 1.35 -0.29 0.00 0.05 0.00 0.00 55.36 56.47 1dut s GLN 96 Cb 0.00 -2.73 -0.01 0.00 1.10 0.00 0.00 33.01 31.37 1dut s GLN 96 CO 0.00 0.20 1.37 0.15 -0.55 0.00 0.00 175.29 176.46 1dut s LYS 97 N -2.18 3.94 -0.02 1.67 1.02 -1.26 -1.08 119.74 121.83 1dut s LYS 97 Ca 0.52 1.42 0.14 0.00 0.02 0.00 0.00 55.97 58.07 1dut s LYS 97 Cb -0.19 -3.90 -0.21 0.00 -0.52 0.00 0.00 37.83 33.02 1dut s LYS 97 CO 0.24 -1.09 0.32 0.44 -0.92 0.00 0.00 175.35 174.33 1dut n ILE 98 N 6.12 0.00 -3.88 2.17 -5.35 -0.22 -4.87 119.36 113.33 1dut n ILE 98 Ca 0.16 -0.30 -0.03 0.00 -0.27 0.00 0.00 62.75 62.31 1dut n ILE 98 Cb 0.46 0.25 0.02 0.00 -1.74 0.00 0.00 39.64 38.63 1dut n ILE 98 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1dut s ALA 99 N -2.89 -1.64 0.03 -1.28 0.00 -1.23 -4.10 121.76 110.65 1dut s ALA 99 Ca -0.04 -0.30 0.05 0.00 0.00 0.00 0.00 51.96 51.67 1dut s ALA 99 Cb 0.09 0.76 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 1dut s ALA 99 CO 0.56 -1.07 -0.14 -0.65 0.00 0.00 0.00 175.76 174.46 1dut s GLN 100 N -2.20 0.98 -0.23 0.00 -0.21 -0.06 -0.35 119.66 117.59 1dut s GLN 100 Ca 0.22 -0.72 -0.06 0.00 0.02 0.00 0.00 55.36 54.82 1dut s GLN 100 Cb -0.02 -0.98 -0.02 0.00 1.00 0.00 0.00 33.01 32.98 1dut s GLN 100 CO 0.05 0.25 0.03 -1.17 -2.12 0.00 0.00 175.29 172.33 1dut s LEU 101 N -1.00 3.27 -0.13 2.90 2.96 -0.53 -1.11 118.68 125.05 1dut s LEU 101 Ca 0.02 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 1dut s LEU 101 Cb -0.07 -1.86 -0.00 0.00 0.50 0.00 0.00 46.19 44.75 1dut s LEU 101 CO 0.01 -0.01 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.21 1dut s ILE 102 N 1.48 2.53 -0.25 6.68 1.01 0.26 -1.80 121.20 131.12 1dut s ILE 102 Ca 0.06 -0.84 -0.22 0.00 0.00 0.00 0.00 60.65 59.65 1dut s ILE 102 Cb -0.15 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.28 1dut s ILE 102 CO 0.01 0.54 0.71 -0.63 0.00 0.00 0.00 174.94 175.57 1dut s ILE 103 N 0.51 4.93 0.10 2.92 1.01 -1.26 -0.29 121.20 129.12 1dut s ILE 103 Ca -0.12 1.31 0.09 0.00 0.00 0.00 0.00 60.65 61.93 1dut s ILE 103 Cb -0.16 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 1dut s ILE 103 CO 0.05 -0.01 -0.22 -0.76 0.00 0.00 0.00 174.94 174.00 1dut s LEU 104 N 2.61 2.30 0.45 2.97 1.43 -0.54 -4.97 118.68 122.91 1dut s LEU 104 Ca 0.30 -0.69 -0.23 0.00 -1.03 0.00 0.00 54.13 52.48 1dut s LEU 104 Cb -0.15 -0.95 -0.08 0.00 0.03 0.00 0.00 46.19 45.04 1dut s LEU 104 CO 0.08 0.08 1.09 -2.16 0.23 0.00 0.00 176.35 175.67 1dut s PRO 105 N -1.90 3.91 0.12 1.29 0.04 -1.26 -0.77 135.00 136.43 1dut s PRO 105 Ca 0.08 1.56 -0.15 0.00 0.04 0.00 0.00 61.00 62.52 1dut s PRO 105 Cb -0.10 -2.37 -0.07 0.00 0.04 0.00 0.00 34.50 32.01 1dut s PRO 105 CO 0.04 -0.37 0.54 0.00 0.04 0.00 0.00 177.00 177.25 1dut s LYS 107 N -1.71 0.91 -0.23 0.00 2.47 -1.26 -4.94 119.74 114.99 1dut s LYS 107 Ca 0.35 -0.15 -0.08 0.00 -1.56 0.00 0.00 55.97 54.52 1dut s LYS 107 Cb -0.16 -1.46 -0.04 0.00 -1.46 0.00 0.00 37.83 34.71 1dut s LYS 107 CO 0.19 -0.38 0.09 -1.58 0.16 0.00 0.00 175.35 173.83 1dut s HIS 108 N 1.85 3.18 -0.03 4.03 5.65 -1.26 -5.09 115.29 123.63 1dut s HIS 108 Ca 0.03 -0.10 0.06 0.00 0.25 0.00 0.00 55.06 55.31 1dut s HIS 108 Cb -0.14 -2.19 -0.01 0.00 -1.18 0.00 0.00 32.58 29.06 1dut s HIS 108 CO -0.07 -0.09 -0.21 -1.21 -0.65 0.00 0.00 174.74 172.51 1dut s GLU 109 N 1.09 1.86 0.46 2.88 0.41 -1.26 -5.12 118.70 119.01 1dut s GLU 109 Ca 0.05 -0.77 -0.19 0.00 -0.41 0.00 0.00 54.97 53.66 1dut s GLU 109 Cb -0.14 -1.74 -0.10 0.00 -1.78 0.00 0.00 34.13 30.38 1dut s GLU 109 CO 0.04 0.42 0.95 0.14 -0.49 0.00 0.00 175.26 176.32 1dut s VAL 110 N -0.38 4.47 -0.22 2.63 -7.23 -1.26 -5.02 120.40 113.39 1dut s VAL 110 Ca 0.05 1.34 -0.12 0.00 -1.81 0.00 0.00 61.98 61.44 1dut s VAL 110 Cb -0.10 -3.65 -0.05 0.00 0.56 0.00 0.00 36.38 33.15 1dut s VAL 110 CO 0.00 -0.46 0.24 -0.76 -0.31 0.00 0.00 175.10 173.82 1dut s LEU 111 N -3.53 4.15 -0.23 1.32 1.02 -1.26 -5.04 118.68 115.11 1dut s LEU 111 Ca 0.60 0.29 -0.01 0.00 0.02 0.00 0.00 54.13 55.03 1dut s LEU 111 Cb -0.09 -2.26 0.02 0.00 0.02 0.00 0.00 46.19 43.88 1dut s LEU 111 CO 0.21 0.04 -0.09 -1.61 0.02 0.00 0.00 176.35 174.92 1dut s GLU 112 N 1.00 2.92 -0.13 1.70 2.02 -1.26 -5.08 118.70 119.87 1dut s GLU 112 Ca 0.12 -0.91 -0.29 0.00 0.02 0.00 0.00 54.97 53.90 1dut s GLU 112 Cb -0.14 -2.90 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 1dut s GLU 112 CO 0.05 -0.34 1.48 -1.14 0.02 0.00 0.00 175.26 175.33 1dut s GLN 113 N 1.33 4.13 0.00 1.61 2.00 -1.26 -4.88 119.66 122.59 1dut s GLN 113 Ca 0.02 1.87 0.00 0.00 -2.00 0.00 0.00 55.36 55.24 1dut s GLN 113 Cb -0.16 -3.90 0.00 0.00 0.80 0.00 0.00 33.01 29.75 1dut s GLN 113 CO -0.06 -0.87 0.00 0.41 -0.50 0.00 0.00 175.29 174.27 1dut n GLY 114 N 4.02 4.63 2.78 2.59 0.00 -1.26 -5.14 105.19 112.81 1dut n GLY 114 Ca 0.16 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 1dut n GLY 114 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dut s LYS 115 N 4.41 0.80 0.05 1.61 2.47 -1.26 -5.10 119.74 122.72 1dut s LYS 115 Ca 0.00 -0.18 -0.31 0.00 -1.56 0.00 0.00 55.97 53.92 1dut s LYS 115 Cb 0.00 -1.55 -0.05 0.00 -1.46 0.00 0.00 37.83 34.77 1dut s LYS 115 CO 0.00 -0.43 1.19 0.14 0.16 0.00 0.00 175.35 176.41 1dut s VAL 116 N 1.87 4.07 -0.92 4.02 -7.23 -1.26 -5.28 120.40 115.67 1dut s VAL 116 Ca 0.02 1.49 0.07 0.00 -1.81 0.00 0.00 61.98 61.75 1dut s VAL 116 Cb -0.14 -3.95 0.06 0.00 0.56 0.00 0.00 36.38 32.90 1dut s VAL 116 CO -0.07 0.11 0.73 0.55 -0.31 0.00 0.00 175.10 176.12